 
data_shelx
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             'Nordite-(Ce)'
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Ca0.12 Ce0.955 Na3 O17 Si6 Sr0.885 Zn0.96' 
_chemical_formula_weight          790.28

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Na'  'Na'   0.0362   0.0249
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Si'  'Si'   0.0817   0.0704
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Zn'  'Zn'   0.2839   1.4301
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Sr'  'Sr'  -1.5307   3.2498
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ce'  'Ce'  -0.2486   2.6331
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ca'  'Ca'   0.2262   0.3064
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       orthorhombic
_space_group_IT_number            54
_space_group_name_H-M_alt         'P c c a'
_space_group_name_Hall            '-P 2a 2ac'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y, z'
 '-x, y, -z+1/2'
 'x+1/2, -y, -z+1/2'
 '-x, -y, -z'
 'x-1/2, y, -z'
 'x, -y, z-1/2'
 '-x-1/2, y, z-1/2'
 
_cell_length_a                    14.38912(18)
_cell_length_b                    5.17986(6)
_cell_length_c                    19.7554(2)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      1472.44(3)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     38383
_cell_measurement_theta_min       2.0490
_cell_measurement_theta_max       34.4490
 
_exptl_crystal_description        'blocky'
_exptl_crystal_colour             ?
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     3.643          
_exptl_crystal_F_000              1526
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.120
_exptl_crystal_size_mid           0.066
_exptl_crystal_size_min           0.026
_exptl_absorpt_coefficient_mu     8.393
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    'gaussian'
_exptl_absorpt_correction_T_min   0.462
_exptl_absorpt_correction_T_max   0.915
_exptl_absorpt_process_details    
;
CrysAlisPro 1.171.40.60a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    'micro-focus sealed X-ray tube'
_diffrn_measurement_device_type   'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method        'ω scans'
_diffrn_detector_area_resol_mean  10.0000
_diffrn_reflns_number             67858
_diffrn_reflns_av_unetI/netI      0.0097
_diffrn_reflns_av_R_equivalents   0.0267
_diffrn_reflns_limit_h_min        -22
_diffrn_reflns_limit_h_max        22
_diffrn_reflns_limit_k_min        -7
_diffrn_reflns_limit_k_max        8
_diffrn_reflns_limit_l_min        -31
_diffrn_reflns_limit_l_max        31
_diffrn_reflns_theta_min          2.062
_diffrn_reflns_theta_max          34.385
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.966
_diffrn_measured_fraction_theta_full  1.000
_diffrn_reflns_Laue_measured_fraction_max    0.966
_diffrn_reflns_Laue_measured_fraction_full   1.000
_diffrn_reflns_point_group_measured_fraction_max   0.966
_diffrn_reflns_point_group_measured_fraction_full  1.000
_reflns_number_total              2998
_reflns_number_gt                 2641
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_cell_refinement        'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_data_reduction         'CrysAlisPro 1.171.40.60a (Rigaku OD, 2019)'
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0184P)²+0.6112P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          2998
_refine_ls_number_parameters      138
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0171
_refine_ls_R_factor_gt            0.0129
_refine_ls_wR_factor_ref          0.0354
_refine_ls_wR_factor_gt           0.0344
_refine_ls_goodness_of_fit_ref    1.068
_refine_ls_restrained_S_all       1.068
_refine_ls_shift/su_max           0.002
_refine_ls_shift/su_mean          0.000
 
loop_
 _atom_site_label
 _atom_site_type_symbol
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_U_iso_or_equiv
 _atom_site_adp_type
 _atom_site_occupancy
 _atom_site_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Ce Ce 0.250000 0.500000 0.31959(2) 0.00645(3) Uani 0.9557(13) 2 d S T P . .
Ca1 Ca 0.250000 0.500000 0.31959(2) 0.00645(3) Uani 0.0443(13) 2 d S T P . .
Sr Sr 0.250000 0.500000 0.52346(2) 0.00796(5) Uani 0.885(2) 2 d S T P . .
Ca2 Ca 0.250000 0.500000 0.52346(2) 0.00796(5) Uani 0.115(2) 2 d S T P . .
Zn Zn 0.250000 0.000000 0.66959(2) 0.00795(6) Uani 0.9624(14) 2 d S T P . .
Si1 Si 0.09852(2) 0.03662(6) 0.56508(2) 0.00686(6) Uani 1 1 d . . . . .
Si2 Si 0.10235(2) 0.03951(6) 0.27420(2) 0.00657(6) Uani 1 1 d . . . . .
Si3 Si 0.11201(2) 0.95459(6) 0.41883(2) 0.00676(6) Uani 1 1 d . . . . .
Na1 Na 0.000000 -0.500000 0.500000 0.01833(15) Uani 1 2 d S . P . .
Na2 Na 0.07003(5) -0.49239(10) 0.17153(2) 0.01968(13) Uani 1 1 d . . . . .
O1 O -0.00525(5) 0.16068(17) 0.58231(4) 0.01019(14) Uani 1 1 d . . . . .
O2 O 0.17083(5) 0.19908(15) 0.60980(4) 0.01029(14) Uani 1 1 d . . . . .
O3 O 0.11844(5) 0.14318(15) 0.48585(4) 0.00944(14) Uani 1 1 d . . . . .
O4 O 0.10247(6) -0.26740(16) 0.56762(4) 0.01169(15) Uani 1 1 d . . . . .
O5 O 0.000000 0.1427(2) 0.250000 0.0121(2) Uani 1 2 d S T P . .
O6 O 0.17692(5) 0.21065(15) 0.23279(4) 0.00958(14) Uani 1 1 d . . . . .
O7 O 0.11891(5) 1.14984(15) 0.35307(4) 0.00953(14) Uani 1 1 d . . . . .
O8 O 0.11453(6) -0.26364(15) 0.27265(4) 0.01181(15) Uani 1 1 d . . . . .
O9 O 0.31429(6) 1.27215(16) 0.41826(4) 0.01089(15) Uani 1 1 d . . . . .
 
 
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
 
loop_
 _geom_bond_atom_site_label_1
 _geom_bond_atom_site_label_2
 _geom_bond_distance
 _geom_bond_site_symmetry_2
 _geom_bond_publ_flag
Ce O9 2.4594(8) 2_575 ?
Ce O9 2.4594(8) 1_545 ?
Ce O8 2.4816(8) 1_565 ?
Ce O8 2.4816(8) 2 ?
Ce O6 2.5085(8) . ?
Ce O6 2.5085(8) 2_565 ?
Ce O7 2.6992(8) 2_575 ?
Ce O7 2.6992(8) 1_545 ?
Ce Si2 3.3177(3) 2_565 ?
Ce Si2 3.3178(3) . ?
Ce Na2 3.9068(6) 1_565 ?
Ce Na2 3.9068(6) 2 ?
Sr O9 2.5629(8) 1_545 ?
Sr O9 2.5629(8) 2_575 ?
Sr O2 2.5762(8) . ?
Sr O2 2.5762(8) 2_565 ?
Sr O4 2.5921(8) 2 ?
Sr O4 2.5921(8) 1_565 ?
Sr O3 2.7480(8) . ?
Sr O3 2.7481(8) 2_565 ?
Sr Si1 3.3449(3) 2_565 ?
Sr Si1 3.3449(3) . ?
Sr Si1 3.6267(3) 1_565 ?
Sr Si1 3.6267(3) 2 ?
Zn O2 1.9381(8) . ?
Zn O2 1.9382(8) 2 ?
Zn O6 1.9635(8) 8_656 ?
Zn O6 1.9635(8) 7_556 ?
Zn Si2 2.9710(3) 8_656 ?
Zn Si2 2.9710(3) 7_556 ?
Zn Na2 3.6350(6) 7_556 ?
Zn Na2 3.6350(6) 8_656 ?
Si1 O4 1.5766(9) . ?
Si1 O2 1.6036(8) . ?
Si1 O1 1.6608(9) . ?
Si1 O3 1.6842(8) . ?
Si1 Na1 3.0698(3) 1_565 ?
Si1 Na2 3.1881(6) 7_556 ?
Si1 Na1 3.3747(3) . ?
Si2 O8 1.5803(8) . ?
Si2 O6 1.6144(8) . ?
Si2 O5 1.6380(5) . ?
Si2 O7 1.6767(8) 1_545 ?
Si2 Na2 3.1952(6) 1_565 ?
Si2 Na2 3.4526(6) . ?
Si3 O9 1.5824(9) 2_575 ?
Si3 O3 1.6479(8) 1_565 ?
Si3 O1 1.6483(9) 5_566 ?
Si3 O7 1.6494(8) . ?
Si3 Na1 3.2732(3) 1_565 ?
Na1 O4 2.3260(8) . ?
Na1 O4 2.3260(8) 5_546 ?
Na1 O1 2.3957(8) 5_556 ?
Na1 O1 2.3957(8) 1_545 ?
Na1 O3 2.5296(8) 5_556 ?
Na1 O3 2.5296(8) 1_545 ?
Na2 O8 2.4092(9) . ?
Na2 O2 2.4288(10) 7 ?
Na2 O4 2.4455(9) 7_545 ?
Na2 O6 2.4892(10) 1_545 ?
Na2 O5 2.6441(10) 1_545 ?
Na2 O1 2.6893(10) 7 ?
Na2 Na2 3.6977(11) 3 ?
 
loop_
 _geom_angle_atom_site_label_1
 _geom_angle_atom_site_label_2
 _geom_angle_atom_site_label_3
 _geom_angle
 _geom_angle_site_symmetry_1
 _geom_angle_site_symmetry_3
 _geom_angle_publ_flag
O9 Ce O9 75.14(4) 2_575 1_545 ?
O9 Ce O8 76.35(3) 2_575 1_565 ?
O9 Ce O8 145.93(3) 1_545 1_565 ?
O9 Ce O8 145.93(3) 2_575 2 ?
O9 Ce O8 76.35(3) 1_545 2 ?
O8 Ce O8 136.11(4) 1_565 2 ?
O9 Ce O6 132.13(3) 2_575 . ?
O9 Ce O6 114.38(3) 1_545 . ?
O8 Ce O6 73.14(3) 1_565 . ?
O8 Ce O6 77.24(3) 2 . ?
O9 Ce O6 114.38(3) 2_575 2_565 ?
O9 Ce O6 132.13(3) 1_545 2_565 ?
O8 Ce O6 77.24(3) 1_565 2_565 ?
O8 Ce O6 73.14(3) 2 2_565 ?
O6 Ce O6 93.75(3) . 2_565 ?
O9 Ce O7 75.30(3) 2_575 2_575 ?
O9 Ce O7 82.26(3) 1_545 2_575 ?
O8 Ce O7 108.00(3) 1_565 2_575 ?
O8 Ce O7 82.77(3) 2 2_575 ?
O6 Ce O7 149.54(2) . 2_575 ?
O6 Ce O7 58.20(2) 2_565 2_575 ?
O9 Ce O7 82.26(3) 2_575 1_545 ?
O9 Ce O7 75.30(3) 1_545 1_545 ?
O8 Ce O7 82.77(3) 1_565 1_545 ?
O8 Ce O7 108.00(2) 2 1_545 ?
O6 Ce O7 58.20(2) . 1_545 ?
O6 Ce O7 149.54(2) 2_565 1_545 ?
O7 Ce O7 151.63(3) 2_575 1_545 ?
O9 Ce Si2 96.32(2) 2_575 2_565 ?
O9 Ce Si2 108.56(2) 1_545 2_565 ?
O8 Ce Si2 92.71(2) 1_565 2_565 ?
O8 Ce Si2 75.564(19) 2 2_565 ?
O6 Ce Si2 120.882(18) . 2_565 ?
O6 Ce Si2 28.024(18) 2_565 2_565 ?
O7 Ce Si2 30.186(16) 2_575 2_565 ?
O7 Ce Si2 175.465(17) 1_545 2_565 ?
O9 Ce Si2 108.56(2) 2_575 . ?
O9 Ce Si2 96.32(2) 1_545 . ?
O8 Ce Si2 75.564(19) 1_565 . ?
O8 Ce Si2 92.71(2) 2 . ?
O6 Ce Si2 28.023(18) . . ?
O6 Ce Si2 120.881(18) 2_565 . ?
O7 Ce Si2 175.465(17) 2_575 . ?
O7 Ce Si2 30.187(16) 1_545 . ?
Si2 Ce Si2 148.641(10) 2_565 . ?
O9 Ce Na2 109.83(2) 2_575 1_565 ?
O9 Ce Na2 147.95(2) 1_545 1_565 ?
O8 Ce Na2 36.35(2) 1_565 1_565 ?
O8 Ce Na2 104.23(2) 2 1_565 ?
O6 Ce Na2 38.407(19) . 1_565 ?
O6 Ce Na2 76.118(19) 2_565 1_565 ?
O7 Ce Na2 129.789(18) 2_575 1_565 ?
O7 Ce Na2 74.158(18) 1_545 1_565 ?
Si2 Ce Na2 102.409(10) 2_565 1_565 ?
Si2 Ce Na2 51.716(9) . 1_565 ?
O9 Ce Na2 147.95(2) 2_575 2 ?
O9 Ce Na2 109.83(2) 1_545 2 ?
O8 Ce Na2 104.23(2) 1_565 2 ?
O8 Ce Na2 36.35(2) 2 2 ?
O6 Ce Na2 76.118(19) . 2 ?
O6 Ce Na2 38.407(19) 2_565 2 ?
O7 Ce Na2 74.159(18) 2_575 2 ?
O7 Ce Na2 129.789(18) 1_545 2 ?
Si2 Ce Na2 51.717(9) 2_565 2 ?
Si2 Ce Na2 102.409(10) . 2 ?
Na2 Ce Na2 83.050(19) 1_565 2 ?
O9 Sr O9 71.62(3) 1_545 2_575 ?
O9 Sr O2 114.70(3) 1_545 . ?
O9 Sr O2 130.99(3) 2_575 . ?
O9 Sr O2 130.99(3) 1_545 2_565 ?
O9 Sr O2 114.70(3) 2_575 2_565 ?
O2 Sr O2 97.08(3) . 2_565 ?
O9 Sr O4 76.30(2) 1_545 2 ?
O9 Sr O4 141.50(3) 2_575 2 ?
O2 Sr O4 81.84(2) . 2 ?
O2 Sr O4 72.32(3) 2_565 2 ?
O9 Sr O4 141.50(3) 1_545 1_565 ?
O9 Sr O4 76.30(2) 2_575 1_565 ?
O2 Sr O4 72.32(3) . 1_565 ?
O2 Sr O4 81.84(2) 2_565 1_565 ?
O4 Sr O4 140.67(3) 2 1_565 ?
O9 Sr O3 73.72(2) 1_545 . ?
O9 Sr O3 80.90(2) 2_575 . ?
O2 Sr O3 57.82(2) . . ?
O2 Sr O3 152.95(2) 2_565 . ?
O4 Sr O3 110.03(2) 2 . ?
O4 Sr O3 80.76(2) 1_565 . ?
O9 Sr O3 80.90(2) 1_545 2_565 ?
O9 Sr O3 73.72(2) 2_575 2_565 ?
O2 Sr O3 152.95(2) . 2_565 ?
O2 Sr O3 57.82(2) 2_565 2_565 ?
O4 Sr O3 80.76(2) 2 2_565 ?
O4 Sr O3 110.03(2) 1_565 2_565 ?
O3 Sr O3 148.62(3) . 2_565 ?
O9 Sr Si1 107.13(2) 1_545 2_565 ?
O9 Sr Si1 95.975(19) 2_575 2_565 ?
O2 Sr Si1 124.030(18) . 2_565 ?
O2 Sr Si1 27.737(17) 2_565 2_565 ?
O4 Sr Si1 73.570(19) 2 2_565 ?
O4 Sr Si1 96.743(19) 1_565 2_565 ?
O3 Sr Si1 176.368(17) . 2_565 ?
O3 Sr Si1 30.110(16) 2_565 2_565 ?
O9 Sr Si1 95.975(19) 1_545 . ?
O9 Sr Si1 107.13(2) 2_575 . ?
O2 Sr Si1 27.738(17) . . ?
O2 Sr Si1 124.030(18) 2_565 . ?
O4 Sr Si1 96.743(19) 2 . ?
O4 Sr Si1 73.570(19) 1_565 . ?
O3 Sr Si1 30.109(16) . . ?
O3 Sr Si1 176.368(17) 2_565 . ?
Si1 Sr Si1 151.544(11) 2_565 . ?
O9 Sr Si1 138.913(18) 1_545 1_565 ?
O9 Sr Si1 67.291(18) 2_575 1_565 ?
O2 Sr Si1 92.743(18) . 1_565 ?
O2 Sr Si1 69.634(18) 2_565 1_565 ?
O4 Sr Si1 140.548(18) 2 1_565 ?
O4 Sr Si1 22.372(19) 1_565 1_565 ?
O3 Sr Si1 99.368(17) . 1_565 ?
O3 Sr Si1 87.698(17) 2_565 1_565 ?
Si1 Sr Si1 77.640(8) 2_565 1_565 ?
Si1 Sr Si1 95.889(8) . 1_565 ?
O9 Sr Si1 67.291(18) 1_545 2 ?
O9 Sr Si1 138.913(18) 2_575 2 ?
O2 Sr Si1 69.633(18) . 2 ?
O2 Sr Si1 92.743(18) 2_565 2 ?
O4 Sr Si1 22.372(19) 2 2 ?
O4 Sr Si1 140.548(18) 1_565 2 ?
O3 Sr Si1 87.697(17) . 2 ?
O3 Sr Si1 99.367(17) 2_565 2 ?
Si1 Sr Si1 95.890(8) 2_565 2 ?
Si1 Sr Si1 77.641(8) . 2 ?
Si1 Sr Si1 153.796(10) 1_565 2 ?
O2 Zn O2 104.91(5) . 2 ?
O2 Zn O6 114.00(3) . 8_656 ?
O2 Zn O6 111.61(3) 2 8_656 ?
O2 Zn O6 111.61(3) . 7_556 ?
O2 Zn O6 114.00(3) 2 7_556 ?
O6 Zn O6 101.03(5) 8_656 7_556 ?
O2 Zn Si2 143.86(2) . 8_656 ?
O2 Zn Si2 92.30(2) 2 8_656 ?
O6 Zn Si2 30.28(2) 8_656 8_656 ?
O6 Zn Si2 88.79(2) 7_556 8_656 ?
O2 Zn Si2 92.30(2) . 7_556 ?
O2 Zn Si2 143.86(2) 2 7_556 ?
O6 Zn Si2 88.79(2) 8_656 7_556 ?
O6 Zn Si2 30.28(2) 7_556 7_556 ?
Si2 Zn Si2 91.849(12) 8_656 7_556 ?
O2 Zn Na2 38.22(2) . 7_556 ?
O2 Zn Na2 142.99(3) 2 7_556 ?
O6 Zn Na2 89.14(2) 8_656 7_556 ?
O6 Zn Na2 90.09(2) 7_556 7_556 ?
Si2 Zn Na2 116.988(11) 8_656 7_556 ?
Si2 Zn Na2 62.064(11) 7_556 7_556 ?
O2 Zn Na2 142.99(3) . 8_656 ?
O2 Zn Na2 38.22(2) 2 8_656 ?
O6 Zn Na2 90.09(2) 8_656 8_656 ?
O6 Zn Na2 89.14(2) 7_556 8_656 ?
Si2 Zn Na2 62.064(10) 8_656 8_656 ?
Si2 Zn Na2 116.988(11) 7_556 8_656 ?
Na2 Zn Na2 178.790(16) 7_556 8_656 ?
O2 Zn Sr 36.01(2) . . ?
O2 Zn Sr 84.36(2) 2 . ?
O6 Zn Sr 95.87(2) 8_656 . ?
O6 Zn Sr 147.61(2) 7_556 . ?
Si2 Zn Sr 118.150(6) 8_656 . ?
Si2 Zn Sr 124.317(6) 7_556 . ?
Na2 Zn Sr 62.567(9) 7_556 . ?
Na2 Zn Sr 118.452(9) 8_656 . ?
O2 Zn Sr 84.36(2) . 1_545 ?
O2 Zn Sr 36.01(2) 2 1_545 ?
O6 Zn Sr 147.61(2) 8_656 1_545 ?
O6 Zn Sr 95.87(2) 7_556 1_545 ?
Si2 Zn Sr 124.317(6) 8_656 1_545 ?
Si2 Zn Sr 118.150(6) 7_556 1_545 ?
Na2 Zn Sr 118.451(9) 7_556 1_545 ?
Na2 Zn Sr 62.568(9) 8_656 1_545 ?
Sr Zn Sr 83.794(4) . 1_545 ?
O4 Si1 O2 118.90(5) . . ?
O4 Si1 O1 114.35(5) . . ?
O2 Si1 O1 105.50(4) . . ?
O4 Si1 O3 110.54(4) . . ?
O2 Si1 O3 103.27(4) . . ?
O1 Si1 O3 102.52(4) . . ?
O4 Si1 Na1 144.19(3) . 1_565 ?
O2 Si1 Na1 96.90(3) . 1_565 ?
O1 Si1 Na1 50.82(3) . 1_565 ?
O3 Si1 Na1 55.47(3) . 1_565 ?
O4 Si1 Na2 136.32(3) . 7_556 ?
O2 Si1 Na2 48.04(3) . 7_556 ?
O1 Si1 Na2 57.49(3) . 7_556 ?
O3 Si1 Na2 113.09(3) . 7_556 ?
Na1 Si1 Na2 68.770(12) 1_565 7_556 ?
O4 Si1 Sr 134.51(4) . . ?
O2 Si1 Sr 48.40(3) . . ?
O1 Si1 Sr 111.01(3) . . ?
O3 Si1 Sr 54.93(3) . . ?
Na1 Si1 Sr 68.710(6) 1_565 . ?
Na2 Si1 Sr 73.415(13) 7_556 . ?
O4 Si1 Na1 37.31(3) . . ?
O2 Si1 Na1 156.16(3) . . ?
O1 Si1 Na1 91.10(3) . . ?
O3 Si1 Na1 89.28(3) . . ?
Na1 Si1 Na1 106.888(9) 1_565 . ?
Na2 Si1 Na1 143.823(17) 7_556 . ?
Sr Si1 Na1 140.457(10) . . ?
O4 Si1 Sr 38.74(3) . 1_545 ?
O2 Si1 Sr 97.88(3) . 1_545 ?
O1 Si1 Sr 152.05(3) . 1_545 ?
O3 Si1 Sr 86.46(3) . 1_545 ?
Na1 Si1 Sr 141.430(10) 1_565 1_545 ?
Na2 Si1 Sr 142.594(16) 7_556 1_545 ?
Sr Si1 Sr 95.889(8) . 1_545 ?
Na1 Si1 Sr 62.278(5) . 1_545 ?
O8 Si2 O6 117.52(5) . . ?
O8 Si2 O5 114.73(5) . . ?
O6 Si2 O5 105.70(4) . . ?
O8 Si2 O7 109.93(4) . 1_545 ?
O6 Si2 O7 100.91(4) . 1_545 ?
O5 Si2 O7 106.72(4) . 1_545 ?
O8 Si2 Zn 80.72(3) . 7 ?
O6 Si2 Zn 37.82(3) . 7 ?
O5 Si2 Zn 117.543(14) . 7 ?
O7 Si2 Zn 124.63(3) 1_545 7 ?
O8 Si2 Na2 139.28(3) . 1_565 ?
O6 Si2 Na2 50.09(3) . 1_565 ?
O5 Si2 Na2 55.69(3) . 1_565 ?
O7 Si2 Na2 110.60(3) 1_545 1_565 ?
Zn Si2 Na2 73.430(13) 7 1_565 ?
O8 Si2 Ce 130.43(3) . . ?
O6 Si2 Ce 46.89(3) . . ?
O5 Si2 Ce 114.84(4) . . ?
O7 Si2 Ce 54.04(3) 1_545 . ?
Zn Si2 Ce 77.266(7) 7 . ?
Na2 Si2 Ce 73.691(13) 1_565 . ?
O8 Si2 Na2 37.88(3) . . ?
O6 Si2 Na2 103.30(3) . . ?
O5 Si2 Na2 88.16(4) . . ?
O7 Si2 Na2 146.83(3) 1_545 . ?
Zn Si2 Na2 68.453(12) 7 . ?
Na2 Si2 Na2 102.302(15) 1_565 . ?
Ce Si2 Na2 144.958(15) . . ?
O9 Si3 O3 114.09(4) 2_575 1_565 ?
O9 Si3 O1 110.83(5) 2_575 5_566 ?
O3 Si3 O1 106.15(4) 1_565 5_566 ?
O9 Si3 O7 114.15(4) 2_575 . ?
O3 Si3 O7 105.42(4) 1_565 . ?
O1 Si3 O7 105.51(4) 5_566 . ?
O9 Si3 Na1 78.44(3) 2_575 1_565 ?
O3 Si3 Na1 93.47(3) 1_565 1_565 ?
O1 Si3 Na1 44.54(3) 5_566 1_565 ?
O7 Si3 Na1 148.94(3) . 1_565 ?
O9 Si3 Sr 34.32(3) 2_575 . ?
O3 Si3 Sr 84.18(3) 1_565 . ?
O1 Si3 Sr 106.06(3) 5_566 . ?
O7 Si3 Sr 142.75(3) . . ?
Na1 Si3 Sr 62.220(5) 1_565 . ?
O4 Na1 O4 180.0 . 5_546 ?
O4 Na1 O1 89.42(3) . 5_556 ?
O4 Na1 O1 90.58(3) 5_546 5_556 ?
O4 Na1 O1 90.58(3) . 1_545 ?
O4 Na1 O1 89.42(3) 5_546 1_545 ?
O1 Na1 O1 180.0 5_556 1_545 ?
O4 Na1 O3 89.15(3) . 5_556 ?
O4 Na1 O3 90.85(3) 5_546 5_556 ?
O1 Na1 O3 63.91(3) 5_556 5_556 ?
O1 Na1 O3 116.09(3) 1_545 5_556 ?
O4 Na1 O3 90.85(3) . 1_545 ?
O4 Na1 O3 89.15(3) 5_546 1_545 ?
O1 Na1 O3 116.09(3) 5_556 1_545 ?
O1 Na1 O3 63.91(3) 1_545 1_545 ?
O3 Na1 O3 180.00(3) 5_556 1_545 ?
O4 Na1 Si1 82.63(2) . 1_545 ?
O4 Na1 Si1 97.37(2) 5_546 1_545 ?
O1 Na1 Si1 147.50(2) 5_556 1_545 ?
O1 Na1 Si1 32.50(2) 1_545 1_545 ?
O3 Na1 Si1 146.734(17) 5_556 1_545 ?
O3 Na1 Si1 33.266(17) 1_545 1_545 ?
O4 Na1 Si1 97.37(2) . 5_556 ?
O4 Na1 Si1 82.63(2) 5_546 5_556 ?
O1 Na1 Si1 32.50(2) 5_556 5_556 ?
O1 Na1 Si1 147.50(2) 1_545 5_556 ?
O3 Na1 Si1 33.266(17) 5_556 5_556 ?
O3 Na1 Si1 146.734(17) 1_545 5_556 ?
Si1 Na1 Si1 180.0 1_545 5_556 ?
O4 Na1 Si3 66.21(2) . 1_545 ?
O4 Na1 Si3 113.79(2) 5_546 1_545 ?
O1 Na1 Si3 28.85(2) 5_556 1_545 ?
O1 Na1 Si3 151.15(2) 1_545 1_545 ?
O3 Na1 Si3 81.968(18) 5_556 1_545 ?
O3 Na1 Si3 98.032(18) 1_545 1_545 ?
Si1 Na1 Si3 122.702(8) 1_545 1_545 ?
Si1 Na1 Si3 57.298(8) 5_556 1_545 ?
O4 Na1 Si3 113.79(2) . 5_556 ?
O4 Na1 Si3 66.21(2) 5_546 5_556 ?
O1 Na1 Si3 151.15(2) 5_556 5_556 ?
O1 Na1 Si3 28.85(2) 1_545 5_556 ?
O3 Na1 Si3 98.032(18) 5_556 5_556 ?
O3 Na1 Si3 81.968(18) 1_545 5_556 ?
Si1 Na1 Si3 57.298(8) 1_545 5_556 ?
Si1 Na1 Si3 122.702(8) 5_556 5_556 ?
Si3 Na1 Si3 180.0 1_545 5_556 ?
O4 Na1 Si1 24.26(2) . . ?
O4 Na1 Si1 155.74(2) 5_546 . ?
O1 Na1 Si1 68.96(2) 5_556 . ?
O1 Na1 Si1 111.04(2) 1_545 . ?
O3 Na1 Si1 68.843(19) 5_556 . ?
O3 Na1 Si1 111.157(18) 1_545 . ?
Si1 Na1 Si1 106.887(9) 1_545 . ?
Si1 Na1 Si1 73.113(9) 5_556 . ?
Si3 Na1 Si1 52.212(7) 1_545 . ?
Si3 Na1 Si1 127.788(7) 5_556 . ?
O4 Na1 Si1 155.74(2) . 5_546 ?
O4 Na1 Si1 24.25(2) 5_546 5_546 ?
O1 Na1 Si1 111.04(2) 5_556 5_546 ?
O1 Na1 Si1 68.96(2) 1_545 5_546 ?
O3 Na1 Si1 111.157(19) 5_556 5_546 ?
O3 Na1 Si1 68.843(18) 1_545 5_546 ?
Si1 Na1 Si1 73.113(9) 1_545 5_546 ?
Si1 Na1 Si1 106.887(9) 5_556 5_546 ?
Si3 Na1 Si1 127.788(7) 1_545 5_546 ?
Si3 Na1 Si1 52.212(7) 5_556 5_546 ?
Si1 Na1 Si1 180.0 . 5_546 ?
O8 Na2 O2 87.13(3) . 7 ?
O8 Na2 O4 153.57(4) . 7_545 ?
O2 Na2 O4 77.45(3) 7 7_545 ?
O8 Na2 O6 74.73(3) . 1_545 ?
O2 Na2 O6 105.17(4) 7 1_545 ?
O4 Na2 O6 88.61(3) 7_545 1_545 ?
O8 Na2 O5 88.10(3) . 1_545 ?
O2 Na2 O5 165.72(4) 7 1_545 ?
O4 Na2 O5 101.60(3) 7_545 1_545 ?
O6 Na2 O5 60.57(2) 1_545 1_545 ?
O8 Na2 O1 109.65(3) . 7 ?
O2 Na2 O1 60.77(3) 7 7 ?
O4 Na2 O1 81.48(3) 7_545 7 ?
O6 Na2 O1 164.22(4) 1_545 7 ?
O5 Na2 O1 133.43(3) 1_545 7 ?
O8 Na2 Si1 98.54(3) . 7 ?
O2 Na2 Si1 29.401(19) 7 7 ?
O4 Na2 Si1 78.37(2) 7_545 7 ?
O6 Na2 Si1 134.33(3) 1_545 7 ?
O5 Na2 Si1 164.82(3) 1_545 7 ?
O1 Na2 Si1 31.388(19) 7 7 ?
O8 Na2 Si2 78.94(2) . 1_545 ?
O2 Na2 Si2 134.95(3) 7 1_545 ?
O4 Na2 Si2 96.83(3) 7_545 1_545 ?
O6 Na2 Si2 29.833(19) 1_545 1_545 ?
O5 Na2 Si2 30.775(11) 1_545 1_545 ?
O1 Na2 Si2 163.64(3) 7 1_545 ?
Si1 Na2 Si2 164.14(3) 7 1_545 ?
O8 Na2 Si2 23.75(2) . . ?
O2 Na2 Si2 73.46(2) 7 . ?
O4 Na2 Si2 150.86(3) 7_545 . ?
O6 Na2 Si2 97.14(2) 1_545 . ?
O5 Na2 Si2 106.11(2) 1_545 . ?
O1 Na2 Si2 85.95(2) 7 . ?
Si1 Na2 Si2 77.249(13) 7 . ?
Si2 Na2 Si2 102.303(15) 1_545 . ?
O8 Na2 Na1 151.16(3) . 3 ?
O2 Na2 Na1 72.30(2) 7 3 ?
O4 Na2 Na1 40.90(2) 7_545 3 ?
O6 Na2 Na1 129.43(3) 1_545 3 ?
O5 Na2 Na1 116.44(2) 1_545 3 ?
O1 Na2 Na1 42.621(19) 7 3 ?
Si1 Na2 Na1 54.031(9) 7 3 ?
Si2 Na2 Na1 129.898(16) 1_545 3 ?
Si2 Na2 Na1 127.613(16) . 3 ?
O8 Na2 Zn 58.29(2) . 7 ?
O2 Na2 Zn 29.58(2) 7 7 ?
O4 Na2 Zn 102.25(3) 7_545 7 ?
O6 Na2 Zn 89.92(3) 1_545 7 ?
O5 Na2 Zn 141.20(2) 1_545 7 ?
O1 Na2 Zn 80.31(2) 7 7 ?
Si1 Na2 Zn 51.818(10) 7 7 ?
Si2 Na2 Zn 115.82(2) 1_545 7 ?
Si2 Na2 Zn 49.484(9) . 7 ?
Na1 Na2 Zn 101.579(13) 3 7 ?
O8 Na2 Na2 56.61(2) . 3 ?
O2 Na2 Na2 138.28(2) 7 3 ?
O4 Na2 Na2 143.89(3) 7_545 3 ?
O6 Na2 Na2 85.94(2) 1_545 3 ?
O5 Na2 Na2 45.64(2) 1_545 3 ?
O1 Na2 Na2 109.27(3) 7 3 ?
Si1 Na2 Na2 128.547(16) 7 3 ?
Si2 Na2 Na2 63.071(11) 1_545 3 ?
Si2 Na2 Na2 65.221(11) . 3 ?
Na1 Na2 Na2 130.41(3) 3 3 ?
Zn Na2 Na2 113.400(15) 7 3 ?
Si3 O1 Si1 134.02(6) 5_566 . ?
Si3 O1 Na1 106.61(4) 5_566 1_565 ?
Si1 O1 Na1 96.68(4) . 1_565 ?
Si3 O1 Na2 128.01(4) 5_566 7_556 ?
Si1 O1 Na2 91.12(4) . 7_556 ?
Na1 O1 Na2 87.90(3) 1_565 7_556 ?
Si1 O2 Zn 115.97(5) . . ?
Si1 O2 Na2 102.56(4) . 7_556 ?
Zn O2 Na2 112.20(4) . 7_556 ?
Si1 O2 Sr 103.87(4) . . ?
Zn O2 Sr 117.74(3) . . ?
Na2 O2 Sr 102.59(3) 7_556 . ?
Si3 O3 Si1 122.87(5) 1_545 . ?
Si3 O3 Na1 118.95(4) 1_545 1_565 ?
Si1 O3 Na1 91.26(3) . 1_565 ?
Si3 O3 Sr 130.89(4) 1_545 . ?
Si1 O3 Sr 94.96(3) . . ?
Na1 O3 Sr 86.72(2) 1_565 . ?
Si1 O4 Na1 118.44(4) . . ?
Si1 O4 Na2 121.88(4) . 7_546 ?
Na1 O4 Na2 95.60(3) . 7_546 ?
Si1 O4 Sr 118.89(4) . 1_545 ?
Na1 O4 Sr 94.88(3) . 1_545 ?
Na2 O4 Sr 101.68(3) 7_546 1_545 ?
Si2 O5 Si2 141.91(8) . 3 ?
Si2 O5 Na2 113.88(3) . 3_565 ?
Si2 O5 Na2 93.54(3) 3 3_565 ?
Si2 O5 Na2 93.54(3) . 1_565 ?
Si2 O5 Na2 113.87(3) 3 1_565 ?
Na2 O5 Na2 88.73(4) 3_565 1_565 ?
Si2 O6 Zn 111.90(4) . 7 ?
Si2 O6 Na2 100.08(4) . 1_565 ?
Zn O6 Na2 111.42(3) 7 1_565 ?
Si2 O6 Ce 105.09(4) . . ?
Zn O6 Ce 122.83(4) 7 . ?
Na2 O6 Ce 102.83(3) 1_565 . ?
Si3 O7 Si2 120.96(5) . 1_565 ?
Si3 O7 Ce 130.32(4) . 1_565 ?
Si2 O7 Ce 95.77(3) 1_565 1_565 ?
Si2 O8 Na2 118.38(4) . . ?
Si2 O8 Ce 124.76(4) . 1_545 ?
Na2 O8 Ce 106.02(3) . 1_545 ?
Si3 O9 Ce 127.87(4) 2_575 1_565 ?
Si3 O9 Sr 125.30(4) 2_575 1_565 ?
Ce O9 Sr 106.62(3) 1_565 1_565 ?
 
_refine_diff_density_max    0.470
_refine_diff_density_min   -0.454
_refine_diff_density_rms    0.094



