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\pnlcrm\pnstart1\pnindent720\pnhang {\pntxtb (}{\pntxta )}}\pard\plain \ltrpar\s15\ql \li0\ri0\widctlpar\wrapdefault\aspalpha\aspnum\faauto\adjustright\rin0\lin0\itap0\pararsid7750351 \rtlch\fcs1 \af2\afs20\alang1025 \ltrch\fcs0 
\f2\fs20\lang1033\langfe1033\cgrid\langnp1033\langfenp1033 {\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351  
\par data_}{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid3278690 h-08}{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 -02_22
\par 
\par _publ_requested_journal          'Min. Mag.'
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 _publ_contact_author_name        'Fernando Camara'
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 _publ_contact_author_address     
\par ;Dip. di Scienze Mineralogiche e Petrologiche
\par Universit\\`a di degli Studi di Torino
\par Via Valperga Caluso, 35 - 10125 Torino, Italy
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid3278690 ;
\par _publ_contact_author_email       fernando.camaraartigas@unito.it
\par _publ_contact_author_phone       +390116705132
\par _publ_contact_author_fax         
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 ;+390116705128
\par 
\par ;
\par loop_
\par _publ_author_name
\par _publ_author_address
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 'Camara, Fernando'
\par ;Dip. di Scienze Mineralogiche e Petrologiche
\par Universit\\`a di degli Studi di Torino
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid3278690 Via Valperga Caluso, 35 - 10125 Torino, Italy
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 ;
\par 'Sokolova, Elena'
\par ;Dept. of Geological Sciences
\par {\*\xmlopen\xmlns2{\factoidname PlaceType}}{\*\xmlopen\xmlns2{\factoidname place}}University{\*\xmlclose} of {\*\xmlopen\xmlns2{\factoidname PlaceName}}Manitoba{\*\xmlclose}{\*\xmlclose}
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 Winnipeg, Manitoba R3T 2N2 Canada
\par ;
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 'Hawthorne, Frank C.'
\par ;Dept. of Geological Sciences
\par {\*\xmlopen\xmlns2{\factoidname PlaceType}}{\*\xmlopen\xmlns2{\factoidname place}}University{\*\xmlclose} of {\*\xmlopen\xmlns2{\factoidname PlaceName}}Manitoba{\*\xmlclose}{\*\xmlclose}
\par {\*\xmlopen\xmlns2{\factoidname City}}{\*\xmlopen\xmlns2{\factoidname place}}Winnipeg{\*\xmlclose}, {\*\xmlopen\xmlns2{\factoidname State}}Manitoba{\*\xmlclose} {\*\xmlopen\xmlns2{\factoidname PostalCode}}R3T 2N2{\*\xmlclose} 
{\*\xmlopen\xmlns2{\factoidname country-region}}Canada{\*\xmlclose}{\*\xmlclose}
\par ;
\par 
\par _audit_creation_method           SHELXL-97
\par _chemical_name_systematic        rinkite
\par _chemical_name_common            ?
\par _chemical_formula_moiety         ?
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid3278690 _chemical_formula_sum            
\par 'Ca1.39 Ce0.11 Dy0 F0.99 La0.05 Na0.69 Nb0.10 Nd0.03 O5.02 Pr0.01 Si1.33 Sm0 Ta'
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 _chemical_melting_point          ?
\par 
\par _exptl_crystal_description       IRREGULAR
\par _exptl_crystal_colour            yellow
\par 
\par _diffrn_ambient_temperature      298(2)
\par _chemical_formula_weight         245.4393
\par 
\par loop_
\par _atom_type_symbol
\par _atom_type_description
\par _atom_type_scat_dispersion_real
\par _atom_type_scat_dispersion_imag
\par _atom_type_scat_source
\par O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Ca Ca 0.2262 0.3064 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Ti Ti 0.2776 0.4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Ta Ta -0.7052 6.5227 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par {\*\xmlopen\xmlns2{\factoidname City}}{\*\xmlopen\xmlns2{\factoidname place}}Nb{\*\xmlclose} {\*\xmlopen\xmlns2{\factoidname State}}Nb{\*\xmlclose}{\*\xmlclose} -2.0727 0.6215 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Th Th -7.2400 8.8979 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Zr Zr -2.9673 0.5597 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Dy Dy -0.1892 4.4098 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Sm Sm -0.1638 3.4418 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par Pr Pr -0.2180 2.8214 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par La La -0.2871 2.4523 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
\par 
\par _symmetry_cell_setting           monoclinic
\par _symmetry_space_group_name_H-M   'P 21/c'
\par _symmetry_int_tables_number      14
\par _chemical_absolute_configuration ?
\par 
\par loop_
\par _symmetry_equiv_pos_as_xyz
\par 'x, y, z'
\par '-x, y+1/2, -z+1/2'
\par '-x, -y, -z'
\par 'x, -y-1/2, z-1/2'
\par 
\par _cell_length_a                   7.4132(3)
\par _cell_length_b                   5.6816(2)
\par _cell_length_c                   18.8455(8)
\par _cell_angle_alpha                90.00
\par _cell_angle_beta                 101.3700(10)
\par _cell_angle_gamma                90.00
\par _cell_volume                     778.17(5)
\par _cell_formula_units_Z            2
\par _cell_measurement_temperature    293(2)
\par _cell_measurement_reflns_used    1149
\par _cell_measurement_theta_min      4.411
\par _cell_measurement_theta_max      59.851
\par _exptl_crystal_size_max          0.20 
\par _exptl_crystal_size_mid          0.18 
\par _exptl_crystal_size_min          0.08
\par _exptl_crystal_density_meas      ?
\par _exptl_crystal_density_diffrn    3.376
\par _exptl_crystal_density_method    'not measured'
\par _exptl_crystal_F_000             380
\par _exptl_absorpt_coefficient_mu    4.84
\par _exptl_absorpt_correction_type   multi-scan
\par _exptl_absorpt_correction_T_min  0.395  
\par _exptl_absorpt_correction_T_max  0.679
\par _exptl_absorpt_process_details   'Bruker SADABS'
\par 
\par _exptl_special_details           
\par ; 
\par SADABS was used to perform the Absorption correction
\par Parameter refinement on 7837 reflections reduced R(int) from 0.0513 to 0.0303
\par Ratio of minimum to maximum apparent transmission: 0.704845
\par The given Tmax was generated using the SHELX SIZE command
\par Tmis was calculated as Tmin = relative-correction-factor * Tmax.
\par ; 
\par 
\par _diffrn_radiation_probe          x-ray
\par _diffrn_radiation_type           MoK\\a
\par _diffrn_radiation_wavelength     0.71073
\par _diffrn_source                   'fine-focus sealed tube'
\par _diffrn_source_type              SIEMENS
\par _diffrn_radiation_monochromator  graphite
\par _diffrn_measurement_device_type  'BRUKER P4 with CCD'
\par _diffrn_measurement_method       \\\\w
\par _diffrn_detector_area_resol_mean ?
\par _diffrn_standards_number         ?
\par _diffrn_standards_interval_count ?
\par _diffrn_standards_interval_time  ?
\par _diffrn_standards_decay_%        ?
\par _diffrn_reflns_number            11480
\par _diffrn_reflns_av_R_equivalents  0.0280
\par _diffrn_reflns_av_sigmaI/netI    0.0179
\par _diffrn_reflns_limit_h_min       -9
\par _diffrn_reflns_limit_h_max       9
\par _diffrn_reflns_limit_k_min       -7
\par _diffrn_reflns_limit_k_max       7
\par _diffrn_reflns_limit_l_min       -24
\par _diffrn_reflns_limit_l_max       24
\par _diffrn_reflns_theta_min         1.10
\par _diffrn_reflns_theta_max         27.50
\par _reflns_number_total             1887
\par _reflns_number_gt                1863
\par _reflns_threshold_expression     >2sigma(I)
\par 
\par _computing_data_collection       'SMART,version 5.625'
\par _computing_cell_refinement       'SAINT version 6.45'
\par _computing_data_reduction        'SAINT version 6.45'
\par _computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
\par _computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
\par _computing_molecular_graphics    ?
\par _computing_publication_material  ?
\par 
\par _refine_special_details          
\par ; 
\par  Refinement of F^2^ against ALL reflections.  The weighted R-factor wR and 
\par  goodness of fit S are based on F^2^, conventional R-factors R are based 
\par  on F, with F set to zero for negative F^2^. The threshold expression of 
\par  F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is 
\par  not relevant to the choice of reflections for refinement.  R-factors based 
\par  on F^2^ are statistically about twice as large as those based on F, and R- 
\par  factors based on ALL data will be even larger. 
\par ;
\par 
\par _refine_ls_structure_factor_coef Fsqd
\par _refine_ls_matrix_type           full
\par _refine_ls_weighting_scheme      calc
\par _refine_ls_weighting_details     
\par 'calc w=1/[\\s^2^(Fo^2^)+(0.0476P)^2^+2.9583P] where P=(Fo^2^+2Fc^2^)/3'
\par _atom_sites_solution_primary     direct
\par _atom_sites_solution_secondary   difmap
\par _atom_sites_solution_hydrogens   .
\par _refine_ls_hydrogen_treatment    .
\par _refine_ls_extinction_method     none
\par _refine_ls_extinction_coef       ?
\par _refine_ls_number_reflns         1887
\par _refine_ls_number_parameters     145
\par _refine_ls_number_restraints     0
\par _refine_ls_R_factor_all          0.0405
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 _refine_ls_R_factor_gt           0.0400
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 _refine_ls_wR_factor_ref         0.1028
\par _refine_ls_wR_factor_gt          0.1022
\par _refine_ls_goodness_of_fit_ref   1.167
\par _refine_ls_restrained_S_all      1.167
\par _refine_ls_shift/su_max          0.065
\par _refine_ls_shift/su_mean         0.006
\par 
\par loop_
\par _atom_site_label
\par _atom_site_type_symbol
\par _atom_site_fract_x
\par _atom_site_fract_y
\par _atom_site_fract_z
\par _atom_site_U_iso_or_equiv
\par _atom_site_adp_type
\par _atom_site_occupancy
\par _atom_site_symmetry_multiplicity
\par _atom_site_calc_flag
\par _atom_site_refinement_flags
\par _atom_site_disorder_assembly
\par _atom_site_disorder_group
\par MCE Ce 0.09353(13) 0.66103(10) 0.19198(3) 0.0153(2) Uani 0.245(3) 1 d P . .
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 MCA Ca 0.09353(13) 0.66103(10) 0.19198(3) 0.0153(2) Uani 0.755(3) 1 d P . .
\par ACE Ce 0.59661(15) 0.66459(12) 0.19059(3) 0.0176(2) Uani 0.170(3) 1 d P . .
\par ACA Ca 0.59661(15) 0.66459(12) 0.19059(3) 0.0176(2) Uani 0.830(3) 1 d P . .
\par M1 Ti 0.0000 0.0000 0.0000 0.0244(4) Uani 1.198(7) 2 d SP . .
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 M2 Na 0.5000 0.0000 0.0000 0.0197(6) Uani 1 2 d S . .
\par M3 Ca 0.75336(18) 0.5010(3) 0.00060(8) 0.0309(5) Uani 0.798(6) 1 d P . .
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 Si1 Si 0.35070(17) 0.1548(3) 0.14025(7) 0.0138(3) Uani 1 1 d . . .
\par Si2 Si 0.78337(16) 0.1535(3) 0.13756(7) 0.0125(3) Uani 1 1 d . . .
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 O1 O 0.2163(5) 0.1496(8) 0.06125(18) 0.0217(8) Uani 1 1 d . . .
\par O2 O 0.8322(5) 0.1384(8) 0.05759(18) 0.0222(8) Uani 1 1 d . . .
\par O3 O 0.3391(8) 0.3966(6) 0.18365(18) 0.0233(8) Uani 1 1 d . . .
\par O4 O 0.8435(8) 0.3987(7) 0.1783(2) 0.0266(8) Uani 1 1 d . . .
\par O5 O 0.3338(8) 0.9326(6) 0.19124(17) 0.0201(8) Uani 1 1 d . . .
\par O6 O 0.8534(8) 0.9344(6) 0.19039(17) 0.0208(8) Uani 1 1 d . . .
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 O7 O 0.5568(5) 0.1381(8) 0.12004(19) 0.0290(8) Uani 1 1 d . . .
\par XM F 0.0322(8) 0.7049(5) 0.06072(15) 0.0234(10) Uani 0.916(10) 1 d P . .
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid3278690 F F 0.5312(9) 0.6556(6) 0.06253(17) 0.0339(7) Uani 1 1 d . . .
\par 
\par loop_
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 _atom_site_aniso_label
\par _atom_site_aniso_U_11
\par _atom_site_aniso_U_22
\par _atom_site_aniso_U_33
\par _atom_site_aniso_U_23
\par _atom_site_aniso_U_13
\par _atom_site_aniso_U_12
\par MCE 0.0116(3) 0.0149(3) 0.0189(3) 0.0021(2) 0.0016(5) 0.0001(3)
\par MCA 0.0116(3) 0.0149(3) 0.0189(3) 0.0021(2) 0.0016(5) 0.0001(3)
\par ACE 0.0130(4) 0.0199(4) 0.0195(4) 0.0009(2) 0.0025(5) 0.0006(4)
\par ACA 0.0130(4) 0.0199(4) 0.0195(4) 0.0009(2) 0.0025(5) 0.0006(4)
\par M1 0.0100(5) 0.0416(7) 0.0235(6) -0.0250(5) 0.0080(7) -0.0037(8)
\par M2 0.0267(15) 0.0215(13) 0.0128(12) -0.0001(10) 0.0083(19) -0.004(2)
\par M3 0.0262(9) 0.0236(7) 0.0434(9) 0.0086(5) 0.0080(14) 0.0029(12)
\par Si1 0.0133(8) 0.0149(6) 0.0127(6) -0.0002(5) 0.0013(5) 0.0026(8)
\par Si2 0.0126(7) 0.0135(6) 0.0119(6) 0.0003(5) 0.0034(4) 0.0023(8)
\par O1 0.0229(17) 0.0239(19) 0.0142(16) 0.0003(15) -0.0062(13) -0.0033(18)
\par O2 0.029(2) 0.0247(19) 0.0149(15) 0.0044(16) 0.0102(14) 0.0049(18)
\par O3 0.0212(18) 0.0208(18) 0.0274(17) -0.0103(14) 0.004(3) -0.002(2)
\par O4 0.0166(17) 0.025(2) 0.0370(19) -0.0154(16) 0.003(3) -0.004(3)
\par O5 0.0225(19) 0.0206(17) 0.0185(16) 0.0049(13) 0.007(2) -0.003(2)
\par O6 0.026(2) 0.0202(17) 0.0180(16) 0.0052(13) 0.009(2) 0.001(2)
\par O7 0.0128(14) 0.049(2) 0.0265(17) -0.0057(17) 0.0055(17) 0.002(2)
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 XM 0.0246(17) 0.0276(17) 0.0164(15) -0.0003(13) 0.000(2) 0.002(2)
\par F 0.0450(19) 0.0277(15) 0.0263(15) 0.0003(13) 0.000(2) 0.007(3)
\par 
\par _geom_special_details            
\par ; 
\par  All esds (except the esd in the dihedral angle between two l.s. planes) 
\par  are estimated using the full covariance matrix.  The cell esds are taken 
\par  into account individually in the estimation of esds in distances, angles 
\par  and torsion angles; correlations between esds in cell parameters are only 
\par  used when they are defined by crystal symmetry.  An approximate (isotropic) 
\par  treatment of cell esds is used for estimating esds involving l.s. planes. 
\par ;
\par 
\par loop_
\par _geom_bond_atom_site_label_1
\par _geom_bond_atom_site_label_2
\par _geom_bond_distance
\par _geom_bond_site_symmetry_2
\par _geom_bond_publ_flag
\par MCE O6 2.358(5) 1_455 ?
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1046\langfe1033\langnp1046\insrsid13398828\charrsid3278690 MCE O4 2.352(5) 1_455 ?
\par MCE O5 2.359(5) . ?
\par MCE O3 2.389(5) . ?
\par MCE XM 2.438(3) . ?
\par MCE O6 2.526(3) 2_645 ?
\par MCE O4 2.751(4) 2_655 ?
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 MCE Si2 3.1620(14) 2_655 ?
\par MCE ACA 3.6788(8) 1_455 ?
\par MCE ACE 3.6788(8) 1_455 ?
\par MCE ACE 3.7347(8) . ?
\par ACE F 2.367(3) . ?
\par ACE O4 2.419(5) . ?
\par ACE O3 2.425(5) . ?
\par ACE O6 2.445(5) . ?
\par ACE O5 2.474(5) . ?
\par ACE O5 2.551(4) 2_645 ?
\par ACE O3 2.671(4) 2_655 ?
\par ACE Si1 3.1348(14) 2_655 ?
\par ACE Si2 3.3431(16) 1_565 ?
\par ACE Si1 3.3613(17) 1_565 ?
\par ACE Si2 3.4488(16) . ?
\par ACE Si1 3.4541(17) . ?
\par M1 O2 1.969(4) 3_655 ?
\par M1 O2 1.969(4) 1_455 ?
\par M1 O1 1.974(4) . ?
\par M1 O1 1.974(4) 3 ?
\par M1 XM 2.018(3) 3_565 ?
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 M1 XM 2.018(3) 1_545 ?
\par M1 M3 3.3747(15) 1_445 ?
\par M1 M3 3.3747(15) 3_665 ?
\par M1 M3 3.3844(15) 1_455 ?
\par M1 M3 3.3844(15) 3_655 ?
\par M1 M2 3.70660(15) 1_455 ?
\par M1 M2 3.70660(15) . ?
\par M2 F 2.272(3) 3_665 ?
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \lang1040\langfe1033\langnp1040\insrsid13398828\charrsid13398828 M2 F 2.272(3) 1_545 ?
\par M2 O7 2.353(4) . ?
\par M2 O7 2.353(4) 3_655 ?
\par M2 O2 2.609(4) . ?
\par M2 O2 2.609(4) 3_655 ?
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid13398828\charrsid7750351 M2 O1 2.727(4) . ?
\par M2 O1 2.727(4) 3_655 ?
\par M2 Si2 3.1219(13) 3_655 ?
\par M2 Si2 3.1219(13) . ?
\par M2 Si1 3.1840(13) . ?
\par M2 Si1 3.1840(13) 3_655 ?
\par M3 O1 2.335(5) 3_665 ?
\par M3 O2 2.344(5) . ?
\par M3 F 2.381(6) 3_665 ?
\par M3 F 2.367(6) . ?
\par M3 XM 2.444(5) 1_655 ?
\par M3 XM 2.440(5) 3_665 ?
\par M3 Si2 3.2225(19) . ?
\par M3 Si1 3.265(2) 3_665 ?
\par M3 M1 3.3747(15) 1_665 ?
\par M3 M1 3.3844(15) 1_655 ?
\par M3 M2 3.3995(15) 1_565 ?
\par Si1 O5 1.606(4) 1_545 ?
\par Si1 O3 1.610(4) . ?
\par Si1 O1 1.620(3) . ?
\par Si1 O7 1.648(4) . ?
\par Si1 ACA 3.1348(14) 2_645 ?
\par Si1 ACE 3.1348(14) 2_645 ?
\par Si1 M3 3.265(2) 3_665 ?
\par Si1 ACE 3.3614(17) 1_545 ?
\par Si1 ACA 3.3614(17) 1_545 ?
\par Si2 O4 1.611(4) . ?
\par Si2 O6 1.614(4) 1_545 ?
\par Si2 O2 1.620(3) . ?
\par Si2 O7 1.649(4) . ?
\par Si2 MCA 3.1619(14) 2_645 ?
\par Si2 MCE 3.1619(14) 2_645 ?
\par Si2 ACA 3.3432(16) 1_545 ?
\par Si2 ACE 3.3432(16) 1_545 ?
\par O1 M3 2.335(5) 3_665 ?
\par O2 M1 1.968(4) 1_655 ?
\par O3 ACA 2.671(4) 2_645 ?
\par O3 ACE 2.671(4) 2_645 ?
\par O4 MCA 2.352(5) 1_655 ?
\par O4 MCE 2.352(5) 1_655 ?
\par O4 MCA 2.751(4) 2_645 ?
\par O4 MCE 2.751(4) 2_645 ?
\par O5 Si1 1.606(4) 1_565 ?
\par O5 ACE 2.551(4) 2_655 ?
\par O5 ACA 2.551(4) 2_655 ?
\par O6 Si2 1.614(4) 1_565 ?
\par O6 MCA 2.358(5) 1_655 ?
\par O6 MCE 2.358(5) 1_655 ?
\par O6 MCE 2.526(3) 2_655 ?
\par O6 MCA 2.526(3) 2_655 ?
\par O7 ACA 2.990(4) 1_545 ?
\par XM M1 2.018(3) 1_565 ?
\par XM M3 2.444(5) 1_455 ?
\par XM M3 2.440(5) 3_665 ?
\par F M2 2.272(3) 1_565 ?
\par F M3 2.381(6) 3_665 ?
\par 
\par loop_
\par _geom_angle_atom_site_label_1
\par _geom_angle_atom_site_label_2
\par _geom_angle_atom_site_label_3
\par _geom_angle
\par _geom_angle_site_symmetry_1
\par _geom_angle_site_symmetry_3
\par _geom_angle_publ_flag
\par O6 MCE O4 80.76(16) 1_455 1_455 ?
\par O6 MCE O5 97.94(12) 1_455 . ?
\par O4 MCE O5 173.37(13) 1_455 . ?
\par O6 MCE O3 175.10(13) 1_455 . ?
\par O4 MCE O3 100.85(12) 1_455 . ?
\par O5 MCE O3 79.91(16) . . ?
\par O6 MCE XM 86.02(14) 1_455 . ?
\par O4 MCE XM 88.17(15) 1_455 . ?
\par O5 MCE XM 85.25(14) . . ?
\par O3 MCE XM 89.41(14) . . ?
\par O6 MCE O6 109.48(9) 1_455 2_645 ?
\par O4 MCE O6 75.90(15) 1_455 2_645 ?
\par O5 MCE O6 110.57(13) . 2_645 ?
\par O3 MCE O6 75.42(15) . 2_645 ?
\par XM MCE O6 155.22(11) . 2_645 ?
\par O6 MCE O4 71.54(13) 1_455 2_655 ?
\par O4 MCE O4 113.60(9) 1_455 2_655 ?
\par O5 MCE O4 71.84(14) . 2_655 ?
\par O3 MCE O4 111.66(12) . 2_655 ?
\par XM MCE O4 144.74(10) . 2_655 ?
\par O6 MCE O4 60.04(11) 2_645 2_655 ?
\par O6 MCE Si2 95.04(8) 1_455 2_655 ?
\par O4 MCE Si2 99.56(10) 1_455 2_655 ?
\par O5 MCE Si2 87.01(8) . 2_655 ?
\par O3 MCE Si2 89.27(9) . 2_655 ?
\par XM MCE Si2 172.26(12) . 2_655 ?
\par O5 MCE ACA 138.83(12) . 1_455 ?
\par O3 MCE ACA 141.06(11) . 1_455 ?
\par XM MCE ACA 90.35(14) . 1_455 ?
\par O6 MCE ACA 89.51(14) 2_645 1_455 ?
\par O4 MCE ACA 89.87(12) 2_655 1_455 ?
\par Si2 MCE ACA 95.47(3) 2_655 1_455 ?
\par O5 MCE ACE 138.83(12) . 1_455 ?
\par O3 MCE ACE 141.06(11) . 1_455 ?
\par XM MCE ACE 90.35(14) . 1_455 ?
\par O6 MCE ACE 89.51(14) 2_645 1_455 ?
\par O4 MCE ACE 89.87(12) 2_655 1_455 ?
\par Si2 MCE ACE 95.47(3) 2_655 1_455 ?
\par O6 MCE ACE 138.48(12) 1_455 . ?
\par O4 MCE ACE 140.25(12) 1_455 . ?
\par XM MCE ACE 88.80(14) . . ?
\par O6 MCE ACE 91.49(14) 2_645 . ?
\par O4 MCE ACE 90.51(12) 2_655 . ?
\par Si2 MCE ACE 85.33(3) 2_655 . ?
\par ACA MCE ACE 178.99(3) 1_455 . ?
\par ACE MCE ACE 178.99(3) 1_455 . ?
\par F ACE O4 84.00(16) . . ?
\par F ACE O3 86.02(16) . . ?
\par O4 ACE O3 101.83(12) . . ?
\par F ACE O6 90.86(16) . . ?
\par O4 ACE O6 77.72(16) . . ?
\par O3 ACE O6 176.88(12) . . ?
\par F ACE O5 90.87(16) . . ?
\par O4 ACE O5 174.81(12) . . ?
\par O3 ACE O5 76.97(15) . . ?
\par O6 ACE O5 103.19(11) . . ?
\par F ACE O5 147.61(11) . 2_645 ?
\par O4 ACE O5 74.60(15) . 2_645 ?
\par O3 ACE O5 75.18(14) . 2_645 ?
\par O6 ACE O5 107.57(13) . 2_645 ?
\par O5 ACE O5 109.72(9) . 2_645 ?
\par F ACE O3 151.68(11) . 2_655 ?
\par O4 ACE O3 112.77(12) . 2_655 ?
\par O3 ACE O3 111.01(9) . 2_655 ?
\par O6 ACE O3 71.89(14) . 2_655 ?
\par O5 ACE O3 72.24(14) . 2_655 ?
\par O5 ACE O3 60.70(11) 2_645 2_655 ?
\par F ACE Si1 174.91(16) . 2_655 ?
\par O4 ACE Si1 98.13(10) . 2_655 ?
\par O3 ACE Si1 89.01(9) . 2_655 ?
\par O6 ACE Si1 94.12(8) . 2_655 ?
\par O5 ACE Si1 86.92(8) . 2_655 ?
\par F ACE Si2 74.14(11) . 1_565 ?
\par O4 ACE Si2 97.14(12) . 1_565 ?
\par O3 ACE Si2 150.87(10) . 1_565 ?
\par O5 ACE Si2 82.13(10) . 1_565 ?
\par O5 ACE Si2 131.75(11) 2_645 1_565 ?
\par O3 ACE Si2 80.99(9) 2_655 1_565 ?
\par Si1 ACE Si2 110.05(4) 2_655 1_565 ?
\par F ACE Si1 74.90(10) . 1_565 ?
\par O4 ACE Si1 150.31(11) . 1_565 ?
\par O3 ACE Si1 97.34(11) . 1_565 ?
\par O6 ACE Si1 81.90(11) . 1_565 ?
\par O5 ACE Si1 132.80(10) 2_645 1_565 ?
\par O3 ACE Si1 80.42(9) 2_655 1_565 ?
\par Si1 ACE Si1 104.69(4) 2_655 1_565 ?
\par Si2 ACE Si1 57.36(3) 1_565 1_565 ?
\par F ACE Si2 72.51(10) . . ?
\par O3 ACE Si2 79.18(11) . . ?
\par O6 ACE Si2 99.81(11) . . ?
\par O5 ACE Si2 151.76(10) . . ?
\par O5 ACE Si2 78.13(9) 2_645 . ?
\par O3 ACE Si2 131.37(10) 2_655 . ?
\par Si1 ACE Si2 107.64(4) 2_655 . ?
\par Si2 ACE Si2 113.54(4) 1_565 . ?
\par Si1 ACE Si2 147.38(3) 1_565 . ?
\par F ACE Si1 73.19(11) . . ?
\par O4 ACE Si1 79.54(11) . . ?
\par O6 ACE Si1 153.42(10) . . ?
\par O5 ACE Si1 98.28(11) . . ?
\par O5 ACE Si1 79.13(10) 2_645 . ?
\par O3 ACE Si1 130.51(10) 2_655 . ?
\par Si1 ACE Si1 102.57(4) 2_655 . ?
\par Si2 ACE Si1 147.33(4) 1_565 . ?
\par Si1 ACE Si1 112.94(4) 1_565 . ?
\par Si2 ACE Si1 55.57(3) . . ?
\par O2 M1 O2 180.00(18) 3_655 1_455 ?
\par O2 M1 O1 88.04(14) 3_655 . ?
\par O2 M1 O1 91.96(14) 1_455 . ?
\par O2 M1 O1 91.95(14) 3_655 3 ?
\par O2 M1 O1 88.05(14) 1_455 3 ?
\par O1 M1 O1 180.0 . 3 ?
\par O2 M1 XM 92.08(18) 3_655 3_565 ?
\par O2 M1 XM 87.92(18) 1_455 3_565 ?
\par O1 M1 XM 88.01(18) . 3_565 ?
\par O1 M1 XM 91.99(18) 3 3_565 ?
\par O2 M1 XM 87.92(18) 3_655 1_545 ?
\par O2 M1 XM 92.08(18) 1_455 1_545 ?
\par O1 M1 XM 91.99(18) . 1_545 ?
\par O1 M1 XM 88.01(18) 3 1_545 ?
\par XM M1 XM 180.00(17) 3_565 1_545 ?
\par O2 M1 M3 93.89(13) 3_655 1_445 ?
\par O2 M1 M3 86.11(13) 1_455 1_445 ?
\par O1 M1 M3 137.57(12) . 1_445 ?
\par XM M1 M3 134.15(13) 3_565 1_445 ?
\par XM M1 M3 45.85(13) 1_545 1_445 ?
\par O2 M1 M3 86.11(13) 3_655 3_665 ?
\par O2 M1 M3 93.89(13) 1_455 3_665 ?
\par O1 M1 M3 137.57(12) 3 3_665 ?
\par XM M1 M3 45.85(13) 3_565 3_665 ?
\par XM M1 M3 134.15(13) 1_545 3_665 ?
\par M3 M1 M3 180.00(4) 1_445 3_665 ?
\par O2 M1 M3 137.58(12) 3_655 1_455 ?
\par O1 M1 M3 90.73(13) . 1_455 ?
\par O1 M1 M3 89.27(13) 3 1_455 ?
\par XM M1 M3 45.51(14) 3_565 1_455 ?
\par XM M1 M3 134.49(14) 1_545 1_455 ?
\par M3 M1 M3 114.40(4) 1_445 1_455 ?
\par M3 M1 M3 65.60(4) 3_665 1_455 ?
\par O2 M1 M3 137.58(12) 1_455 3_655 ?
\par O1 M1 M3 89.27(13) . 3_655 ?
\par O1 M1 M3 90.73(13) 3 3_655 ?
\par XM M1 M3 134.49(14) 3_565 3_655 ?
\par XM M1 M3 45.51(14) 1_545 3_655 ?
\par M3 M1 M3 65.60(4) 1_445 3_655 ?
\par M3 M1 M3 114.40(4) 3_665 3_655 ?
\par M3 M1 M3 180.00(5) 1_455 3_655 ?
\par O2 M1 M2 137.77(11) 3_655 1_455 ?
\par O1 M1 M2 134.18(12) . 1_455 ?
\par O1 M1 M2 45.82(12) 3 1_455 ?
\par XM M1 M2 89.63(16) 3_565 1_455 ?
\par XM M1 M2 90.37(16) 1_545 1_455 ?
\par M3 M1 M2 57.15(2) 1_445 1_455 ?
\par M3 M1 M2 122.85(2) 3_665 1_455 ?
\par M3 M1 M2 57.26(2) 1_455 1_455 ?
\par M3 M1 M2 122.74(2) 3_655 1_455 ?
\par O2 M1 M2 137.77(11) 1_455 . ?
\par O1 M1 M2 45.82(12) . . ?
\par O1 M1 M2 134.18(12) 3 . ?
\par XM M1 M2 90.37(16) 3_565 . ?
\par XM M1 M2 89.63(16) 1_545 . ?
\par M3 M1 M2 122.85(2) 1_445 . ?
\par M3 M1 M2 57.15(2) 3_665 . ?
\par M3 M1 M2 122.74(2) 1_455 . ?
\par M3 M1 M2 57.26(2) 3_655 . ?
\par M2 M1 M2 180.0 1_455 . ?
\par F M2 F 180.00(16) 3_665 1_545 ?
\par F M2 O7 101.08(13) 3_665 . ?
\par F M2 O7 78.92(13) 1_545 . ?
\par F M2 O7 78.92(13) 3_665 3_655 ?
\par F M2 O7 101.08(13) 1_545 3_655 ?
\par O7 M2 O7 180.0 . 3_655 ?
\par F M2 O2 86.99(17) 3_665 . ?
\par F M2 O2 93.01(17) 1_545 . ?
\par O7 M2 O2 61.59(12) . . ?
\par O7 M2 O2 118.41(12) 3_655 . ?
\par F M2 O2 93.01(17) 3_665 3_655 ?
\par F M2 O2 86.99(17) 1_545 3_655 ?
\par O7 M2 O2 118.41(12) . 3_655 ?
\par O7 M2 O2 61.59(12) 3_655 3_655 ?
\par O2 M2 O2 180.0 . 3_655 ?
\par F M2 O1 86.72(17) 3_665 . ?
\par F M2 O1 93.28(17) 1_545 . ?
\par O7 M2 O1 59.72(12) . . ?
\par O7 M2 O1 120.28(12) 3_655 . ?
\par O2 M2 O1 118.27(9) . . ?
\par O2 M2 O1 61.73(9) 3_655 . ?
\par F M2 O1 93.28(17) 3_665 3_655 ?
\par F M2 O1 86.72(17) 1_545 3_655 ?
\par O7 M2 O1 120.28(12) . 3_655 ?
\par O7 M2 O1 59.72(12) 3_655 3_655 ?
\par O2 M2 O1 61.73(9) . 3_655 ?
\par O2 M2 O1 118.27(9) 3_655 3_655 ?
\par O1 M2 O1 180.0 . 3_655 ?
\par F M2 Si2 80.03(11) 3_665 3_655 ?
\par F M2 Si2 99.97(11) 1_545 3_655 ?
\par O7 M2 Si2 148.78(10) . 3_655 ?
\par O2 M2 Si2 148.76(8) . 3_655 ?
\par O1 M2 Si2 89.41(7) . 3_655 ?
\par O1 M2 Si2 90.59(7) 3_655 3_655 ?
\par F M2 Si2 99.97(11) 3_665 . ?
\par F M2 Si2 80.03(11) 1_545 . ?
\par O7 M2 Si2 148.78(10) 3_655 . ?
\par O2 M2 Si2 148.76(8) 3_655 . ?
\par O1 M2 Si2 90.59(7) . . ?
\par O1 M2 Si2 89.41(7) 3_655 . ?
\par Si2 M2 Si2 180.0 3_655 . ?
\par F M2 Si1 100.14(11) 3_665 . ?
\par F M2 Si1 79.86(11) 1_545 . ?
\par O7 M2 Si1 149.85(10) 3_655 . ?
\par O2 M2 Si1 91.47(8) . . ?
\par O2 M2 Si1 88.54(8) 3_655 . ?
\par O1 M2 Si1 149.41(7) 3_655 . ?
\par Si2 M2 Si1 118.64(3) 3_655 . ?
\par Si2 M2 Si1 61.36(3) . . ?
\par F M2 Si1 79.86(11) 3_665 3_655 ?
\par F M2 Si1 100.14(11) 1_545 3_655 ?
\par O7 M2 Si1 149.85(10) . 3_655 ?
\par O2 M2 Si1 88.53(8) . 3_655 ?
\par O2 M2 Si1 91.46(8) 3_655 3_655 ?
\par O1 M2 Si1 149.41(7) . 3_655 ?
\par Si2 M2 Si1 61.36(3) 3_655 3_655 ?
\par Si2 M2 Si1 118.64(3) . 3_655 ?
\par Si1 M2 Si1 180.0 . 3_655 ?
\par O1 M3 O2 159.41(13) 3_665 . ?
\par O1 M3 F 103.38(12) 3_665 3_665 ?
\par O2 M3 F 90.97(13) . 3_665 ?
\par O1 M3 F 94.34(14) 3_665 . ?
\par O2 M3 F 103.60(12) . . ?
\par F M3 F 75.58(12) 3_665 . ?
\par O1 M3 XM 70.89(12) 3_665 1_655 ?
\par O2 M3 XM 95.30(13) . 1_655 ?
\par F M3 XM 173.62(13) 3_665 1_655 ?
\par F M3 XM 101.69(13) . 1_655 ?
\par O1 M3 XM 92.01(14) 3_665 3_665 ?
\par O2 M3 XM 70.65(12) . 3_665 ?
\par F M3 XM 100.37(12) 3_665 3_665 ?
\par F M3 XM 173.11(13) . 3_665 ?
\par XM M3 XM 82.89(11) 1_655 3_665 ?
\par O1 M3 Si2 157.29(11) 3_665 . ?
\par F M3 Si2 94.91(9) 3_665 . ?
\par F M3 Si2 77.13(9) . . ?
\par XM M3 Si2 90.03(9) 1_655 . ?
\par XM M3 Si2 97.87(9) 3_665 . ?
\par O2 M3 Si1 153.74(11) . 3_665 ?
\par F M3 Si1 76.91(9) 3_665 3_665 ?
\par F M3 Si1 95.90(9) . 3_665 ?
\par XM M3 Si1 97.80(9) 1_655 3_665 ?
\par XM M3 Si1 88.49(8) 3_665 3_665 ?
\par Si2 M3 Si1 170.48(5) . 3_665 ?
\par O2 M3 M1 130.82(10) . 1_665 ?
\par F M3 M1 137.70(9) 3_665 1_665 ?
\par F M3 M1 96.89(11) . 1_665 ?
\par XM M3 M1 89.84(10) 3_665 1_665 ?
\par Si2 M3 M1 124.44(5) . 1_665 ?
\par Si1 M3 M1 62.32(4) 3_665 1_665 ?
\par O1 M3 M1 127.44(11) 3_665 1_655 ?
\par F M3 M1 96.32(11) 3_665 1_655 ?
\par F M3 M1 137.94(10) . 1_655 ?
\par XM M3 M1 89.54(10) 1_655 1_655 ?
\par Si2 M3 M1 62.31(3) . 1_655 ?
\par Si1 M3 M1 122.84(5) 3_665 1_655 ?
\par M1 M3 M1 114.40(4) 1_665 1_655 ?
\par O1 M3 M2 52.92(10) 3_665 1_565 ?
\par O2 M3 M2 145.33(10) . 1_565 ?
\par F M3 M2 82.84(10) 3_665 1_565 ?
\par XM M3 M2 91.30(10) 1_655 1_565 ?
\par XM M3 M2 144.02(9) 3_665 1_565 ?
\par Si2 M3 M2 117.68(5) . 1_565 ?
\par Si1 M3 M2 57.04(3) 3_665 1_565 ?
\par M1 M3 M2 66.34(3) 1_665 1_565 ?
\par M1 M3 M2 179.16(5) 1_655 1_565 ?
\par O1 M3 M2 144.63(10) 3_665 . ?
\par O2 M3 M2 49.83(10) . . ?
\par F M3 M2 82.82(11) . . ?
\par XM M3 M2 144.31(9) 1_655 . ?
\par XM M3 M2 90.46(10) 3_665 . ?
\par Si2 M3 M2 56.08(3) . . ?
\par Si1 M3 M2 117.11(5) 3_665 . ?
\par M1 M3 M2 179.35(5) 1_665 . ?
\par M1 M3 M2 66.13(3) 1_655 . ?
\par M2 M3 M2 113.12(4) 1_565 . ?
\par O5 Si1 O3 110.39(19) 1_545 . ?
\par O5 Si1 O1 115.4(2) 1_545 . ?
\par O3 Si1 O1 113.4(2) . . ?
\par O5 Si1 O7 106.1(3) 1_545 . ?
\par O3 Si1 O7 108.1(3) . . ?
\par O1 Si1 O7 102.5(2) . . ?
\par O5 Si1 ACA 54.16(13) 1_545 2_645 ?
\par O3 Si1 ACA 58.44(13) . 2_645 ?
\par O1 Si1 ACA 149.93(15) . 2_645 ?
\par O7 Si1 ACA 107.49(14) . 2_645 ?
\par O5 Si1 ACE 54.16(13) 1_545 2_645 ?
\par O3 Si1 ACE 58.44(13) . 2_645 ?
\par O1 Si1 ACE 149.93(15) . 2_645 ?
\par O7 Si1 ACE 107.49(14) . 2_645 ?
\par O5 Si1 M2 111.12(16) 1_545 . ?
\par O3 Si1 M2 136.03(17) . . ?
\par O1 Si1 M2 58.92(14) . . ?
\par O7 Si1 M2 45.78(13) . . ?
\par ACA Si1 M2 148.76(5) 2_645 . ?
\par ACE Si1 M2 148.76(5) 2_645 . ?
\par O5 Si1 M3 157.43(18) 1_545 3_665 ?
\par O3 Si1 M3 82.78(14) . 3_665 ?
\par O7 Si1 M3 85.87(15) . 3_665 ?
\par ACA Si1 M3 141.11(6) 2_645 3_665 ?
\par ACE Si1 M3 141.11(6) 2_645 3_665 ?
\par M2 Si1 M3 63.62(4) . 3_665 ?
\par O3 Si1 ACE 130.09(16) . 1_545 ?
\par O1 Si1 ACE 116.45(18) . 1_545 ?
\par O7 Si1 ACE 62.72(15) . 1_545 ?
\par ACA Si1 ACE 77.04(4) 2_645 1_545 ?
\par ACE Si1 ACE 77.04(4) 2_645 1_545 ?
\par M2 Si1 ACE 75.37(3) . 1_545 ?
\par M3 Si1 ACE 138.93(5) 3_665 1_545 ?
\par O3 Si1 ACA 130.09(16) . 1_545 ?
\par O1 Si1 ACA 116.45(18) . 1_545 ?
\par O7 Si1 ACA 62.72(15) . 1_545 ?
\par ACA Si1 ACA 77.04(4) 2_645 1_545 ?
\par ACE Si1 ACA 77.04(4) 2_645 1_545 ?
\par M2 Si1 ACA 75.37(3) . 1_545 ?
\par M3 Si1 ACA 138.93(5) 3_665 1_545 ?
\par O5 Si1 ACE 126.43(15) 1_545 . ?
\par O1 Si1 ACE 117.60(18) . . ?
\par O7 Si1 ACE 69.44(15) . . ?
\par ACA Si1 ACE 75.68(4) 2_645 . ?
\par ACE Si1 ACE 75.68(4) 2_645 . ?
\par M2 Si1 ACE 102.04(4) . . ?
\par M3 Si1 ACE 75.42(4) 3_665 . ?
\par ACE Si1 ACE 112.94(4) 1_545 . ?
\par ACA Si1 ACE 112.94(4) 1_545 . ?
\par O4 Si2 O6 110.4(2) . 1_545 ?
\par O4 Si2 O2 113.4(3) . . ?
\par O6 Si2 O2 115.4(2) 1_545 . ?
\par O4 Si2 O7 108.5(3) . . ?
\par O6 Si2 O7 105.9(3) 1_545 . ?
\par O2 Si2 O7 102.51(19) . . ?
\par O4 Si2 M2 135.65(17) . . ?
\par O6 Si2 M2 112.26(16) 1_545 . ?
\par O2 Si2 M2 56.64(14) . . ?
\par O7 Si2 M2 47.69(13) . . ?
\par O4 Si2 MCA 60.45(15) . 2_645 ?
\par O6 Si2 MCA 52.45(13) 1_545 2_645 ?
\par O2 Si2 MCA 150.81(14) . 2_645 ?
\par O7 Si2 MCA 106.42(14) . 2_645 ?
\par M2 Si2 MCA 149.27(5) . 2_645 ?
\par O4 Si2 MCE 60.45(15) . 2_645 ?
\par O6 Si2 MCE 52.45(13) 1_545 2_645 ?
\par O2 Si2 MCE 150.81(14) . 2_645 ?
\par O7 Si2 MCE 106.42(14) . 2_645 ?
\par M2 Si2 MCE 149.27(5) . 2_645 ?
\par O4 Si2 M3 79.66(15) . . ?
\par O6 Si2 M3 158.35(18) 1_545 . ?
\par O7 Si2 M3 88.02(15) . . ?
\par M2 Si2 M3 64.98(4) . . ?
\par MCA Si2 M3 139.99(6) 2_645 . ?
\par MCE Si2 M3 139.99(6) 2_645 . ?
\par O4 Si2 ACA 131.94(17) . 1_545 ?
\par O2 Si2 ACA 114.57(18) . 1_545 ?
\par O7 Si2 ACA 63.27(16) . 1_545 ?
\par M2 Si2 ACA 76.45(3) . 1_545 ?
\par MCA Si2 ACA 76.18(3) 2_645 1_545 ?
\par MCE Si2 ACA 76.18(3) 2_645 1_545 ?
\par M3 Si2 ACA 141.38(5) . 1_545 ?
\par O4 Si2 ACE 131.94(17) . 1_545 ?
\par O2 Si2 ACE 114.57(18) . 1_545 ?
\par O7 Si2 ACE 63.27(16) . 1_545 ?
\par M2 Si2 ACE 76.45(3) . 1_545 ?
\par MCA Si2 ACE 76.18(3) 2_645 1_545 ?
\par MCE Si2 ACE 76.18(3) 2_645 1_545 ?
\par M3 Si2 ACE 141.38(5) . 1_545 ?
\par O6 Si2 ACE 124.69(15) 1_545 . ?
\par O2 Si2 ACE 119.35(18) . . ?
\par O7 Si2 ACE 69.60(15) . . ?
\par M2 Si2 ACE 103.47(4) . . ?
\par MCA Si2 ACE 75.29(3) 2_645 . ?
\par MCE Si2 ACE 75.29(3) 2_645 . ?
\par M3 Si2 ACE 75.40(4) . . ?
\par ACA Si2 ACE 113.54(4) 1_545 . ?
\par ACE Si2 ACE 113.54(4) 1_545 . ?
\par Si1 O1 M1 145.8(3) . . ?
\par Si1 O1 M3 109.9(2) . 3_665 ?
\par M1 O1 M3 102.79(15) . 3_665 ?
\par Si1 O1 M2 90.49(16) . . ?
\par M1 O1 M2 102.92(16) . . ?
\par M3 O1 M2 84.00(12) 3_665 . ?
\par Si2 O2 M1 144.6(2) . 1_655 ?
\par Si2 O2 M3 107.4(2) . . ?
\par M1 O2 M3 103.07(15) 1_655 . ?
\par Si2 O2 M2 92.12(16) . . ?
\par M1 O2 M2 107.30(17) 1_655 . ?
\par M3 O2 M2 86.82(12) . . ?
\par Si1 O3 MCE 133.5(3) . . ?
\par Si1 O3 ACE 116.3(3) . . ?
\par MCE O3 ACE 101.73(13) . . ?
\par Si1 O3 ACA 90.67(16) . 2_645 ?
\par MCE O3 ACA 104.89(16) . 2_645 ?
\par ACE O3 ACA 105.14(16) . 2_645 ?
\par Si1 O3 ACE 90.67(16) . 2_645 ?
\par MCE O3 ACE 104.89(16) . 2_645 ?
\par ACE O3 ACE 105.14(16) . 2_645 ?
\par Si2 O4 MCA 137.6(3) . 1_655 ?
\par Si2 O4 MCE 137.6(3) . 1_655 ?
\par Si2 O4 ACE 116.2(3) . . ?
\par MCA O4 ACE 100.86(14) 1_655 . ?
\par MCE O4 ACE 100.86(14) 1_655 . ?
\par Si2 O4 MCA 88.93(17) . 2_645 ?
\par MCA O4 MCA 102.80(15) 1_655 2_645 ?
\par MCE O4 MCA 102.80(15) 1_655 2_645 ?
\par ACE O4 MCA 102.72(16) . 2_645 ?
\par Si2 O4 MCE 88.93(17) . 2_645 ?
\par MCA O4 MCE 102.80(15) 1_655 2_645 ?
\par MCE O4 MCE 102.80(15) 1_655 2_645 ?
\par ACE O4 MCE 102.72(16) . 2_645 ?
\par Si1 O5 MCE 131.7(3) 1_565 . ?
\par Si1 O5 ACE 109.1(2) 1_565 . ?
\par MCE O5 ACE 101.17(14) . . ?
\par Si1 O5 ACE 95.15(17) 1_565 2_655 ?
\par MCE O5 ACE 110.84(16) . 2_655 ?
\par ACE O5 ACE 107.36(17) . 2_655 ?
\par Si1 O5 ACA 95.15(17) 1_565 2_655 ?
\par MCE O5 ACA 110.84(16) . 2_655 ?
\par ACE O5 ACA 107.36(17) . 2_655 ?
\par Si2 O6 MCA 131.7(3) 1_565 1_655 ?
\par Si2 O6 MCE 131.7(3) 1_565 1_655 ?
\par Si2 O6 ACE 109.2(3) 1_565 . ?
\par MCA O6 ACE 99.96(13) 1_655 . ?
\par MCE O6 ACE 99.96(13) 1_655 . ?
\par Si2 O6 MCE 97.11(17) 1_565 2_655 ?
\par MCA O6 MCE 109.75(18) 1_655 2_655 ?
\par MCE O6 MCE 109.75(18) 1_655 2_655 ?
\par ACE O6 MCE 107.75(16) . 2_655 ?
\par Si2 O6 MCA 97.11(17) 1_565 2_655 ?
\par MCA O6 MCA 109.75(18) 1_655 2_655 ?
\par MCE O6 MCA 109.75(18) 1_655 2_655 ?
\par ACE O6 MCA 107.75(16) . 2_655 ?
\par Si1 O7 Si2 154.8(2) . . ?
\par Si1 O7 M2 104.07(18) . . ?
\par Si2 O7 M2 101.09(18) . . ?
\par Si1 O7 ACA 87.93(17) . 1_545 ?
\par Si2 O7 ACA 87.21(17) . 1_545 ?
\par M2 O7 ACA 96.37(14) . 1_545 ?
\par M1 XM M3 97.83(16) 1_565 1_455 ?
\par M1 XM MCE 129.63(14) 1_565 . ?
\par M3 XM MCE 113.17(19) 1_455 . ?
\par M1 XM M3 98.34(17) 1_565 3_665 ?
\par M3 XM M3 97.11(11) 1_455 3_665 ?
\par MCE XM M3 115.02(18) . 3_665 ?
\par M2 F ACE 119.32(13) 1_565 . ?
\par M2 F M3 94.19(16) 1_565 3_665 ?
\par ACE F M3 120.1(2) . 3_665 ?
\par M2 F M3 94.21(18) 1_565 . ?
\par ACE F M3 119.2(2) . . ?
\par M3 F M3 104.42(12) 3_665 . ?
\par 
\par _diffrn_measured_fraction_theta_max 1.000
\par _diffrn_reflns_theta_full        27.50
\par _diffrn_measured_fraction_theta_full 1.000
\par _refine_diff_density_max         1.382
\par _refine_diff_density_min         -0.493
\par _refine_diff_density_rms         0.187
\par }{\rtlch\fcs1 \af2 \ltrch\fcs0 \insrsid7750351 
\par }}