 
data_NAFEASITE
 
_audit_creation_method            'SHELXL-2016/6'
_shelx_SHELXL_version_number      '2016/6'
_chemical_name_mineral            'nafeasite' 
_chemical_compound_source         'Torrecillas, Chile'
_chemical_formula_sum
 'Al0.14 H3.55 As2 Fe0.86 Na O8.77' 
_chemical_formula_weight          368.62

loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'Na'  'Na'   0.0362   0.0249
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Fe'  'Fe'   0.3463   0.8444
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al'  'Al'   0.0645   0.0514
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'As'  'As'   0.0499   2.0058
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O'  'O'   0.0106   0.0060
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H'  'H'   0.0000   0.0000
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       monoclinic
_space_group_IT_number            5
_space_group_name_H-M_alt         'C 2'
_space_group_name_Hall            'C 2y'
 
_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, y, -z'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z'
 
_cell_length_a                    18.6876(16)
_cell_length_b                    8.6769(7)
_cell_length_c                    14.81000(10)
_cell_angle_alpha                 90
_cell_angle_beta                  105.238(5)
_cell_angle_gamma                 90
_cell_volume                      2317.0(3)
_cell_formula_units_Z             12
_cell_measurement_temperature     295
_cell_measurement_reflns_used     33774
_cell_measurement_theta_min       2.3
_cell_measurement_theta_max       30.0
 
_exptl_crystal_description        'irregular'
_exptl_crystal_colour             'pink'
_exptl_crystal_density_diffrn     3.170          
_exptl_crystal_F_000              2099
_exptl_crystal_size_max           0.154
_exptl_crystal_size_mid           0.125
_exptl_crystal_size_min           0.094
_exptl_absorpt_coefficient_mu     10.297
_shelx_estimated_absorpt_T_min    0.300
_shelx_estimated_absorpt_T_max    0.444
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_max   0.746
_exptl_absorpt_correction_T_min   0.577
_exptl_absorpt_process_details    'SADABS'
_diffrn_ambient_temperature       295
_diffrn_source                    'X-ray tube'
_diffrn_source_power              1.6
_diffrn_source_voltage            50
_diffrn_source_current            32
_diffrn_radiation_type            'Mo K\a'
_diffrn_radiation_source          'X-ray tube'
_diffrn_radiation_wavelength      0.71069
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device        'four-circle diffractometer'
_diffrn_measurement_device_type   'Nonius CCD'
_diffrn_detector                  CCD
_diffrn_detector_area_resol_mean  9
_diffrn_reflns_number             42436
_diffrn_reflns_av_unetI/netI      0.0361
_diffrn_reflns_av_R_equivalents   0.0498
_diffrn_reflns_limit_h_min        -26
_diffrn_reflns_limit_h_max        26
_diffrn_reflns_limit_k_min        -12
_diffrn_reflns_limit_k_max        12
_diffrn_reflns_limit_l_min        -20
_diffrn_reflns_limit_l_max        20
_diffrn_reflns_theta_min          2.259
_diffrn_reflns_theta_max          29.999
_diffrn_reflns_theta_full         25.240
_diffrn_measured_fraction_theta_max   0.999
_diffrn_measured_fraction_theta_full  0.998
_diffrn_reflns_Laue_measured_fraction_max    0.999
_diffrn_reflns_Laue_measured_fraction_full   0.998
_diffrn_reflns_point_group_measured_fraction_max   0.998
_diffrn_reflns_point_group_measured_fraction_full  0.997
_reflns_number_total              6760
_reflns_number_gt                 5979
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.882
_reflns_Friedel_fraction_max      0.997
_reflns_Friedel_fraction_full     0.995
 
_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        'Nonius Collect'
_computing_cell_refinement        'Eval15/Peakref'
_computing_data_reduction         'Eval15'
_computing_structure_solution     'Superflip'
_computing_structure_refinement   'SHELXL-2016/6 (Sheldrick, 2016)'
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0451P)²+72.2000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens    .
_refine_ls_hydrogen_treatment     undef
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_abs_structure_details
;
 Flack x determined using 2498 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack    0.054(6)
_refine_ls_number_reflns          6760
_refine_ls_number_parameters      350
_refine_ls_number_restraints      2
_refine_ls_R_factor_all           0.0611
_refine_ls_R_factor_gt            0.0522
_refine_ls_wR_factor_ref          0.1275
_refine_ls_wR_factor_gt           0.1229
_refine_ls_goodness_of_fit_ref    1.072
_refine_ls_restrained_S_all       1.072
_refine_ls_shift/su_max           0.001
_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
As1 As 0.86189(7) 0.79611(17) 0.56879(9) 0.0197(4) Uani 1 1 d . . . . .
As2 As 0.63805(6) 0.85448(16) 0.51559(10) 0.0192(3) Uani 1 1 d . . . . .
As3 As 0.13682(6) 0.69860(18) 0.69168(9) 0.0197(3) Uani 1 1 d . . . . .
As4 As 0.86267(6) 0.33414(13) 0.06556(8) 0.0123(3) Uani 1 1 d . . . . .
As5 As 0.63614(6) 0.38378(13) 0.00422(9) 0.0133(3) Uani 1 1 d . . . . .
As6 As 0.86174(6) 0.21488(16) 0.80165(8) 0.0152(3) Uani 1 1 d . . . . .
Fe1 Fe 0.000000 0.1471(3) 0.000000 0.0102(7) Uani 0.84(2) 2 d S T P . .
Al1 Al 0.000000 0.1471(3) 0.000000 0.0102(7) Uani 0.16(2) 2 d S T P . .
Fe2 Fe 0.000000 0.6130(3) 0.500000 0.0154(9) Uani 0.84(2) 2 d S T P . .
Al2 Al 0.000000 0.6130(3) 0.500000 0.0154(9) Uani 0.16(2) 2 d S T P . .
Fe3 Fe 0.76439(10) 0.1144(2) 0.58682(13) 0.0159(6) Uani 0.843(17) 1 d . . P . .
Al3 Al 0.76439(10) 0.1144(2) 0.58682(13) 0.0159(6) Uani 0.157(17) 1 d . . P . .
Fe4 Fe 0.73846(9) 0.14537(19) 0.91342(12) 0.0112(5) Uani 0.904(17) 1 d . . P . .
Al4 Al 0.73846(9) 0.14537(19) 0.91342(12) 0.0112(5) Uani 0.096(17) 1 d . . P . .
Na1 Na 0.7763(8) 0.0146(16) 0.3690(9) 0.050(4) Uiso 0.62(3) 1 d . . P . .
Na2 Na 0.7226(7) 0.3510(15) 0.2409(8) 0.040(4) Uiso 0.60(3) 1 d . . P . .
Na3 Na 0.002(2) 0.046(4) 0.537(2) 0.087(13) Uiso 0.38(3) 1 d . . P . .
Na4 Na 0.9928(16) 0.442(4) 0.711(2) 0.105(11) Uiso 0.53(3) 1 d . . P . .
Na5 Na 0.9933(16) 0.937(4) 0.7854(19) 0.081(10) Uiso 0.42(3) 1 d . . P . .
Na6 Na 0.7642(18) 0.031(4) 0.148(2) 0.065(11) Uiso 0.32(3) 1 d . . P . .
Na7 Na 0.000000 0.560(4) 0.000000 0.038(12) Uiso 0.27(4) 2 d S . P . .
O1 O 0.9383(5) 0.7816(14) 0.5320(8) 0.031(2) Uani 1 1 d . . . . .
O2 O 0.8261(5) 0.9710(12) 0.5370(7) 0.024(2) Uani 1 1 d . . . . .
O3 O 0.8002(5) 0.6511(11) 0.5421(6) 0.0203(18) Uani 1 1 d . . . . .
O4 O 0.9379(5) 0.4523(14) 0.5370(8) 0.033(2) Uani 1 1 d . . . . .
O5 O 0.8260(5) 0.2942(12) 0.5703(7) 0.024(2) Uani 1 1 d . . . . .
O6 O 0.7000(4) 0.9408(11) 0.6037(6) 0.0182(17) Uani 1 1 d . . . . .
O7 O 0.0614(5) 0.6045(14) 0.6326(7) 0.028(2) Uani 1 1 d . . . . .
O8 O 0.6970(5) 0.2596(11) 0.6334(6) 0.0207(19) Uani 1 1 d . . . . .
O9 O 0.1763(5) 0.5907(11) 0.7851(6) 0.0203(18) Uani 1 1 d . . . . .
O10 O 0.9384(5) 0.3189(10) 0.0283(7) 0.0213(19) Uani 1 1 d . . . . .
O11 O 0.8012(4) 0.1881(9) 0.0405(6) 0.0147(16) Uani 1 1 d . . . . .
O12 O 0.8253(5) 0.5089(9) 0.0305(6) 0.0155(17) Uani 1 1 d . . . . .
O13 O 0.5603(5) 0.4883(10) 0.9577(7) 0.0204(19) Uani 1 1 d . . . . .
O14 O 0.6740(4) 0.3267(10) 0.9192(6) 0.0150(16) Uani 1 1 d . . . . .
O15 O 0.6973(4) 0.4670(10) 0.0949(6) 0.0151(16) Uani 1 1 d . . . . .
O16 O 0.9391(5) 0.1368(12) 0.8696(7) 0.0226(19) Uani 1 1 d . . . . .
O17 O 0.8263(5) 0.0874(12) 0.7169(6) 0.0214(19) Uani 1 1 d . . . . .
O18 O 0.8008(5) 0.2821(9) 0.8578(6) 0.0143(16) Uani 1 1 d . . . . .
OH1 O 0.8869(7) 0.7872(16) 0.6902(7) 0.040(3) Uani 1 1 d . . . . .
OH2 O 0.6136(7) 0.6931(15) 0.5706(10) 0.048(3) Uani 1 1 d . . . . .
OH3 O 0.1099(7) 0.868(2) 0.7348(9) 0.048(3) Uani 1 1 d . . . . .
OH4 O 0.8887(6) 0.3361(16) 0.1856(7) 0.033(2) Uani 1 1 d . . . . .
OH5 O 0.6092(6) 0.2128(15) 0.0511(8) 0.032(2) Uani 1 1 d . . . . .
OH6 O 0.8857(7) 0.3764(18) 0.7471(8) 0.039(3) Uani 1 1 d . . . . .
OW1 O 0.9988(15) 0.615(4) 0.843(2) 0.096(12) Uiso 0.81(6) 1 d . . P . .
OW2 O 0.7529(12) 0.096(3) 0.2130(16) 0.048(5) Uiso 0.68(3) 1 d . . P . .
OW3 O 0.001(2) 0.117(5) 0.687(3) 0.14(2) Uiso 0.82(8) 1 d . . P . .
 
 
_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
As1 O1 1.662(10) . ?
As1 O2 1.675(11) . ?
As1 O3 1.682(9) . ?
As1 OH1 1.737(10) . ?
As1 Na3 3.52(3) 1_665 ?
As1 Na1 3.524(14) 1_565 ?
As2 O4 1.662(10) 4_656 ?
As2 O5 1.671(9) 4_656 ?
As2 O6 1.676(9) . ?
As2 OH2 1.741(11) . ?
As2 Na1 3.570(14) 4_656 ?
As3 O7 1.664(10) . ?
As3 O8 1.672(9) 3_455 ?
As3 O9 1.673(9) . ?
As3 OH3 1.728(15) . ?
As3 Na1 3.425(14) 2_666 ?
As3 Na4 3.56(3) 1_455 ?
As4 O10 1.654(9) . ?
As4 O11 1.685(8) . ?
As4 O12 1.693(8) . ?
As4 OH4 1.716(10) . ?
As4 Na7 3.56(2) 1_655 ?
As5 O13 1.671(8) 1_554 ?
As5 O14 1.673(8) 1_554 ?
As5 O15 1.681(8) . ?
As5 OH5 1.767(11) . ?
As5 Na2 3.465(12) . ?
As5 Na6 3.52(3) 4_655 ?
As6 O16 1.673(9) . ?
As6 O17 1.673(9) . ?
As6 O18 1.681(8) . ?
As6 OH6 1.734(13) . ?
As6 Na5 3.50(3) 1_545 ?
As6 Na2 3.512(13) 4_646 ?
Fe1 O16 1.968(9) 1_454 ?
Fe1 O16 1.968(9) 2_656 ?
Fe1 O13 1.983(9) 4_546 ?
Fe1 O13 1.983(9) 3_444 ?
Fe1 O10 1.995(9) 2_655 ?
Fe1 O10 1.995(9) 1_455 ?
Fe1 Na7 3.58(4) . ?
Fe2 O4 1.980(11) 1_455 ?
Fe2 O4 1.980(11) 2_656 ?
Fe2 O1 1.995(11) 2_656 ?
Fe2 O1 1.995(11) 1_455 ?
Fe2 O7 1.999(10) 2_556 ?
Fe2 O7 1.999(10) . ?
Fe2 Na4 3.50(3) 2_656 ?
Fe2 Na4 3.50(3) 1_455 ?
Fe3 O2 1.968(10) 1_545 ?
Fe3 O17 1.984(9) . ?
Fe3 O6 1.984(9) 1_545 ?
Fe3 O5 1.992(9) . ?
Fe3 O3 1.999(9) 4_646 ?
Fe3 O8 2.027(9) . ?
Fe3 Na2 3.386(12) 4_646 ?
Fe3 Na1 3.403(14) . ?
Fe4 O11 1.973(8) 1_556 ?
Fe4 O15 1.983(8) 4_646 ?
Fe4 O18 1.987(8) . ?
Fe4 O14 1.997(8) . ?
Fe4 O9 2.007(9) 3_545 ?
Fe4 O12 2.009(8) 4_646 ?
Fe4 Na6 3.47(3) 4_656 ?
Fe4 Na6 3.52(3) 1_556 ?
Na1 O8 2.271(17) 4_646 ?
Na1 OW2 2.34(3) . ?
Na1 O2 2.445(17) 1_545 ?
Na1 O3 2.483(16) 4_646 ?
Na1 OH2 2.54(2) 4_646 ?
Na1 O5 3.003(17) 4_646 ?
Na1 Na6 3.22(4) . ?
Na1 Na2 3.482(18) . ?
Na2 O15 2.319(14) . ?
Na2 OW2 2.35(3) . ?
Na2 O17 2.395(16) 4_656 ?
Na2 O6 2.499(15) 4_646 ?
Na2 OH1 2.575(19) 4_646 ?
Na2 O9 2.903(16) 2_656 ?
Na2 Na6 3.28(4) . ?
Na2 Na5 4.02(3) 4_646 ?
Na3 Na3 1.07(6) 2_556 ?
Na3 OW3 2.32(5) . ?
Na3 OH2 2.39(4) 3_445 ?
Na3 O1 2.57(4) 1_445 ?
Na3 OH2 2.65(4) 4_546 ?
Na3 O1 2.85(4) 2_646 ?
Na3 Na5 3.84(4) 1_445 ?
Na4 OH6 2.28(3) . ?
Na4 O7 2.40(3) 1_655 ?
Na4 OW1 2.44(4) . ?
Na4 OH4 2.51(3) 2_756 ?
Na4 O4 2.52(3) . ?
Na4 OW3 2.86(6) 1_655 ?
Na5 OW3 2.16(5) 1_665 ?
Na5 OH1 2.48(3) . ?
Na5 O16 2.50(3) 1_565 ?
Na5 OH3 2.55(3) 1_655 ?
Na5 O13 2.57(3) 3 ?
Na5 OW1 2.91(4) . ?
Na6 OW2 1.18(4) . ?
Na6 O11 2.33(3) . ?
Na6 O14 2.47(3) 4_646 ?
Na6 O18 2.47(3) 4_646 ?
Na6 O12 2.74(3) 4_645 ?
Na6 OH3 2.90(4) 2_646 ?
Na7 OW1 2.37(3) 2_656 ?
Na7 OW1 2.37(3) 1_454 ?
Na7 OH5 2.38(2) 3_455 ?
Na7 OH5 2.38(2) 4 ?
Na7 O10 2.48(3) 1_455 ?
Na7 O10 2.48(3) 2_655 ?
 
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
O1 As1 O2 106.9(6) . . ?
O1 As1 O3 117.5(5) . . ?
O2 As1 O3 114.4(4) . . ?
O1 As1 OH1 108.4(6) . . ?
O2 As1 OH1 108.1(6) . . ?
O3 As1 OH1 101.0(6) . . ?
O1 As1 Na3 43.1(7) . 1_665 ?
O2 As1 Na3 70.2(7) . 1_665 ?
O3 As1 Na3 156.3(6) . 1_665 ?
OH1 As1 Na3 99.2(7) . 1_665 ?
O1 As1 Na1 90.3(5) . 1_565 ?
O2 As1 Na1 38.5(4) . 1_565 ?
O3 As1 Na1 94.2(4) . 1_565 ?
OH1 As1 Na1 146.4(5) . 1_565 ?
Na3 As1 Na1 75.3(6) 1_665 1_565 ?
O4 As2 O5 105.6(5) 4_656 4_656 ?
O4 As2 O6 117.8(5) 4_656 . ?
O5 As2 O6 113.5(4) 4_656 . ?
O4 As2 OH2 109.5(6) 4_656 . ?
O5 As2 OH2 108.2(6) 4_656 . ?
O6 As2 OH2 102.0(6) . . ?
O4 As2 Na1 150.1(5) 4_656 4_656 ?
O5 As2 Na1 83.5(4) 4_656 4_656 ?
O6 As2 Na1 82.3(4) . 4_656 ?
OH2 As2 Na1 41.5(5) . 4_656 ?
O7 As3 O8 118.4(5) . 3_455 ?
O7 As3 O9 106.8(5) . . ?
O8 As3 O9 113.2(4) 3_455 . ?
O7 As3 OH3 108.8(6) . . ?
O8 As3 OH3 102.9(7) 3_455 . ?
O9 As3 OH3 106.1(6) . . ?
O7 As3 Na1 130.5(4) . 2_666 ?
O8 As3 Na1 35.1(4) 3_455 2_666 ?
O9 As3 Na1 121.9(4) . 2_666 ?
OH3 As3 Na1 67.7(6) . 2_666 ?
O7 As3 Na4 35.2(6) . 1_455 ?
O8 As3 Na4 149.8(6) 3_455 1_455 ?
O9 As3 Na4 76.2(6) . 1_455 ?
OH3 As3 Na4 101.6(7) . 1_455 ?
Na1 As3 Na4 160.4(5) 2_666 1_455 ?
O10 As4 O11 117.4(4) . . ?
O10 As4 O12 106.8(4) . . ?
O11 As4 O12 113.8(4) . . ?
O10 As4 OH4 108.2(5) . . ?
O11 As4 OH4 103.1(5) . . ?
O12 As4 OH4 106.9(5) . . ?
O10 As4 Na7 38.0(6) . 1_655 ?
O11 As4 Na7 148.5(4) . 1_655 ?
O12 As4 Na7 72.0(5) . 1_655 ?
OH4 As4 Na7 104.4(4) . 1_655 ?
O13 As5 O14 109.3(4) 1_554 1_554 ?
O13 As5 O15 114.9(4) 1_554 . ?
O14 As5 O15 113.3(4) 1_554 . ?
O13 As5 OH5 108.7(5) 1_554 . ?
O14 As5 OH5 105.5(5) 1_554 . ?
O15 As5 OH5 104.5(5) . . ?
O13 As5 Na2 125.5(4) 1_554 . ?
O14 As5 Na2 124.1(3) 1_554 . ?
O15 As5 Na2 35.7(4) . . ?
OH5 As5 Na2 68.8(4) . . ?
O13 As5 Na6 94.2(6) 1_554 4_655 ?
O14 As5 Na6 39.3(6) 1_554 4_655 ?
O15 As5 Na6 89.6(6) . 4_655 ?
OH5 As5 Na6 144.1(7) . 4_655 ?
Na2 As5 Na6 119.5(6) . 4_655 ?
O16 As6 O17 107.0(5) . . ?
O16 As6 O18 115.7(4) . . ?
O17 As6 O18 114.4(4) . . ?
O16 As6 OH6 108.6(5) . . ?
O17 As6 OH6 106.5(6) . . ?
O18 As6 OH6 104.0(6) . . ?
O16 As6 Na5 41.4(6) . 1_545 ?
O17 As6 Na5 68.9(6) . 1_545 ?
O18 As6 Na5 148.6(6) . 1_545 ?
OH6 As6 Na5 104.6(7) . 1_545 ?
O16 As6 Na2 91.2(4) . 4_646 ?
O17 As6 Na2 36.9(4) . 4_646 ?
O18 As6 Na2 94.0(3) . 4_646 ?
OH6 As6 Na2 143.3(5) . 4_646 ?
Na5 As6 Na2 70.0(5) 1_545 4_646 ?
O16 Fe1 O16 174.8(6) 1_454 2_656 ?
O16 Fe1 O13 92.8(4) 1_454 4_546 ?
O16 Fe1 O13 83.6(4) 2_656 4_546 ?
O16 Fe1 O13 83.6(4) 1_454 3_444 ?
O16 Fe1 O13 92.8(4) 2_656 3_444 ?
O13 Fe1 O13 92.0(6) 4_546 3_444 ?
O16 Fe1 O10 92.5(4) 1_454 2_655 ?
O16 Fe1 O10 91.3(4) 2_656 2_655 ?
O13 Fe1 O10 173.3(4) 4_546 2_655 ?
O13 Fe1 O10 92.6(4) 3_444 2_655 ?
O16 Fe1 O10 91.3(4) 1_454 1_455 ?
O16 Fe1 O10 92.5(4) 2_656 1_455 ?
O13 Fe1 O10 92.6(4) 4_546 1_455 ?
O13 Fe1 O10 173.3(4) 3_444 1_455 ?
O10 Fe1 O10 83.2(5) 2_655 1_455 ?
O16 Fe1 Na7 92.6(3) 1_454 . ?
O16 Fe1 Na7 92.6(3) 2_656 . ?
O13 Fe1 Na7 134.0(3) 4_546 . ?
O13 Fe1 Na7 134.0(3) 3_444 . ?
O10 Fe1 Na7 41.6(3) 2_655 . ?
O10 Fe1 Na7 41.6(3) 1_455 . ?
O4 Fe2 O4 90.5(7) 1_455 2_656 ?
O4 Fe2 O1 177.1(5) 1_455 2_656 ?
O4 Fe2 O1 91.9(5) 2_656 2_656 ?
O4 Fe2 O1 91.9(5) 1_455 1_455 ?
O4 Fe2 O1 177.1(5) 2_656 1_455 ?
O1 Fe2 O1 85.7(7) 2_656 1_455 ?
O4 Fe2 O7 91.1(4) 1_455 2_556 ?
O4 Fe2 O7 85.9(4) 2_656 2_556 ?
O1 Fe2 O7 90.7(4) 2_656 2_556 ?
O1 Fe2 O7 92.4(4) 1_455 2_556 ?
O4 Fe2 O7 85.9(4) 1_455 . ?
O4 Fe2 O7 91.1(4) 2_656 . ?
O1 Fe2 O7 92.4(4) 2_656 . ?
O1 Fe2 O7 90.7(4) 1_455 . ?
O7 Fe2 O7 175.8(7) 2_556 . ?
O4 Fe2 Na4 96.5(6) 1_455 2_656 ?
O4 Fe2 Na4 44.9(6) 2_656 2_656 ?
O1 Fe2 Na4 86.4(6) 2_656 2_656 ?
O1 Fe2 Na4 133.1(6) 1_455 2_656 ?
O7 Fe2 Na4 41.6(6) 2_556 2_656 ?
O7 Fe2 Na4 135.8(6) . 2_656 ?
O4 Fe2 Na4 44.9(6) 1_455 1_455 ?
O4 Fe2 Na4 96.5(6) 2_656 1_455 ?
O1 Fe2 Na4 133.1(6) 2_656 1_455 ?
O1 Fe2 Na4 86.4(6) 1_455 1_455 ?
O7 Fe2 Na4 135.8(6) 2_556 1_455 ?
O7 Fe2 Na4 41.6(6) . 1_455 ?
Na4 Fe2 Na4 129.9(10) 2_656 1_455 ?
O2 Fe3 O17 92.3(4) 1_545 . ?
O2 Fe3 O6 90.1(4) 1_545 1_545 ?
O17 Fe3 O6 90.4(4) . 1_545 ?
O2 Fe3 O5 92.0(4) 1_545 . ?
O17 Fe3 O5 90.2(4) . . ?
O6 Fe3 O5 177.8(4) 1_545 . ?
O2 Fe3 O3 90.5(4) 1_545 4_646 ?
O17 Fe3 O3 177.1(4) . 4_646 ?
O6 Fe3 O3 90.4(4) 1_545 4_646 ?
O5 Fe3 O3 88.9(4) . 4_646 ?
O2 Fe3 O8 177.5(4) 1_545 . ?
O17 Fe3 O8 89.9(4) . . ?
O6 Fe3 O8 88.7(4) 1_545 . ?
O5 Fe3 O8 89.2(4) . . ?
O3 Fe3 O8 87.3(4) 4_646 . ?
O2 Fe3 Na2 85.6(4) 1_545 4_646 ?
O17 Fe3 Na2 44.0(4) . 4_646 ?
O6 Fe3 Na2 47.0(3) 1_545 4_646 ?
O5 Fe3 Na2 133.8(4) . 4_646 ?
O3 Fe3 Na2 137.2(4) 4_646 4_646 ?
O8 Fe3 Na2 95.2(3) . 4_646 ?
O2 Fe3 Na1 45.0(4) 1_545 . ?
O17 Fe3 Na1 136.4(4) . . ?
O6 Fe3 Na1 96.8(4) 1_545 . ?
O5 Fe3 Na1 84.2(4) . . ?
O3 Fe3 Na1 46.2(3) 4_646 . ?
O8 Fe3 Na1 133.0(4) . . ?
Na2 Fe3 Na1 122.2(3) 4_646 . ?
O11 Fe4 O15 89.3(3) 1_556 4_646 ?
O11 Fe4 O18 91.0(3) 1_556 . ?
O15 Fe4 O18 90.5(3) 4_646 . ?
O11 Fe4 O14 91.4(4) 1_556 . ?
O15 Fe4 O14 178.8(4) 4_646 . ?
O18 Fe4 O14 88.5(3) . . ?
O11 Fe4 O9 177.1(4) 1_556 3_545 ?
O15 Fe4 O9 88.0(4) 4_646 3_545 ?
O18 Fe4 O9 90.3(4) . 3_545 ?
O14 Fe4 O9 91.2(4) . 3_545 ?
O11 Fe4 O12 89.1(4) 1_556 4_646 ?
O15 Fe4 O12 90.0(4) 4_646 4_646 ?
O18 Fe4 O12 179.4(4) . 4_646 ?
O14 Fe4 O12 91.0(4) . 4_646 ?
O9 Fe4 O12 89.6(4) 3_545 4_646 ?
O11 Fe4 Na6 91.9(6) 1_556 4_656 ?
O15 Fe4 Na6 134.8(6) 4_646 4_656 ?
O18 Fe4 Na6 44.3(6) . 4_656 ?
O14 Fe4 Na6 44.2(6) . 4_656 ?
O9 Fe4 Na6 90.9(6) 3_545 4_656 ?
O12 Fe4 Na6 135.2(6) 4_646 4_656 ?
O11 Fe4 Na6 38.7(6) 1_556 1_556 ?
O15 Fe4 Na6 85.1(6) 4_646 1_556 ?
O18 Fe4 Na6 129.4(6) . 1_556 ?
O14 Fe4 Na6 96.1(6) . 1_556 ?
O9 Fe4 Na6 139.7(6) 3_545 1_556 ?
O12 Fe4 Na6 50.8(6) 4_646 1_556 ?
Na6 Fe4 Na6 121.3(8) 4_656 1_556 ?
O8 Na1 OW2 105.2(8) 4_646 . ?
O8 Na1 O2 80.7(5) 4_646 1_545 ?
OW2 Na1 O2 166.3(9) . 1_545 ?
O8 Na1 O3 129.3(7) 4_646 4_646 ?
OW2 Na1 O3 113.3(8) . 4_646 ?
O2 Na1 O3 69.7(5) 1_545 4_646 ?
O8 Na1 OH2 116.0(6) 4_646 4_646 ?
OW2 Na1 OH2 95.0(8) . 4_646 ?
O2 Na1 OH2 71.3(6) 1_545 4_646 ?
O3 Na1 OH2 92.8(6) 4_646 4_646 ?
O8 Na1 O5 62.9(4) 4_646 4_646 ?
OW2 Na1 O5 121.2(8) . 4_646 ?
O2 Na1 O5 72.5(4) 1_545 4_646 ?
O3 Na1 O5 69.2(4) 4_646 4_646 ?
OH2 Na1 O5 143.4(7) 4_646 4_646 ?
O8 Na1 Na6 89.1(8) 4_646 . ?
OW2 Na1 Na6 16.4(8) . . ?
O2 Na1 Na6 161.1(8) 1_545 . ?
O3 Na1 Na6 128.3(8) 4_646 . ?
OH2 Na1 Na6 99.4(8) 4_646 . ?
O5 Na1 Na6 116.9(7) 4_646 . ?
O8 Na1 Fe3 109.4(5) 4_646 . ?
OW2 Na1 Fe3 144.7(8) . . ?
O2 Na1 Fe3 34.7(3) 1_545 . ?
O3 Na1 Fe3 35.5(3) 4_646 . ?
OH2 Na1 Fe3 76.1(5) 4_646 . ?
O5 Na1 Fe3 70.9(3) 4_646 . ?
Na6 Na1 Fe3 161.1(8) . . ?
O8 Na1 As3 25.1(3) 4_646 2_646 ?
OW2 Na1 As3 87.7(7) . 2_646 ?
O2 Na1 As3 93.6(5) 1_545 2_646 ?
O3 Na1 As3 154.1(6) 4_646 2_646 ?
OH2 Na1 As3 100.6(5) 4_646 2_646 ?
O5 Na1 As3 87.2(4) 4_646 2_646 ?
Na6 Na1 As3 71.4(7) . 2_646 ?
Fe3 Na1 As3 127.3(4) . 2_646 ?
O8 Na1 Na2 147.3(6) 4_646 . ?
OW2 Na1 Na2 42.2(7) . . ?
O2 Na1 Na2 131.5(6) 1_545 . ?
O3 Na1 Na2 76.4(5) 4_646 . ?
OH2 Na1 Na2 76.8(5) 4_646 . ?
O5 Na1 Na2 125.6(5) 4_646 . ?
Na6 Na1 Na2 58.4(7) . . ?
Fe3 Na1 Na2 102.8(4) . . ?
As3 Na1 Na2 128.1(4) 2_646 . ?
O8 Na1 As1 55.7(4) 4_646 1_545 ?
OW2 Na1 As1 156.2(8) . 1_545 ?
O2 Na1 As1 25.2(3) 1_545 1_545 ?
O3 Na1 As1 90.5(4) 4_646 1_545 ?
OH2 Na1 As1 83.4(5) 4_646 1_545 ?
O5 Na1 As1 65.8(3) 4_646 1_545 ?
Na6 Na1 As1 140.5(7) . 1_545 ?
Fe3 Na1 As1 58.0(2) . 1_545 ?
As3 Na1 As1 69.4(3) 2_646 1_545 ?
Na2 Na1 As1 155.6(5) . 1_545 ?
O15 Na2 OW2 104.2(7) . . ?
O15 Na2 O17 82.7(5) . 4_656 ?
OW2 Na2 O17 168.4(8) . 4_656 ?
O15 Na2 O6 130.6(6) . 4_646 ?
OW2 Na2 O6 110.4(8) . 4_646 ?
O17 Na2 O6 70.2(4) 4_656 4_646 ?
O15 Na2 OH1 118.3(6) . 4_646 ?
OW2 Na2 OH1 96.9(8) . 4_646 ?
O17 Na2 OH1 71.5(5) 4_656 4_646 ?
O6 Na2 OH1 91.7(5) 4_646 4_646 ?
O15 Na2 O9 63.0(4) . 2_656 ?
OW2 Na2 O9 117.2(7) . 2_656 ?
O17 Na2 O9 74.2(4) 4_656 2_656 ?
O6 Na2 O9 70.1(4) 4_646 2_656 ?
OH1 Na2 O9 145.0(6) 4_646 2_656 ?
O15 Na2 Na6 89.4(7) . . ?
OW2 Na2 Na6 15.0(7) . . ?
O17 Na2 Na6 169.4(8) 4_656 . ?
O6 Na2 Na6 120.5(7) 4_646 . ?
OH1 Na2 Na6 106.5(8) 4_646 . ?
O9 Na2 Na6 108.5(7) 2_656 . ?
O15 Na2 Fe3 111.5(5) . 4_656 ?
OW2 Na2 Fe3 142.8(7) . 4_656 ?
O17 Na2 Fe3 35.1(3) 4_656 4_656 ?
O6 Na2 Fe3 35.5(3) 4_646 4_656 ?
OH1 Na2 Fe3 75.7(4) 4_646 4_656 ?
O9 Na2 Fe3 72.3(3) 2_656 4_656 ?
Na6 Na2 Fe3 155.4(7) . 4_656 ?
O15 Na2 As5 25.0(2) . . ?
OW2 Na2 As5 88.2(7) . . ?
O17 Na2 As5 94.9(4) 4_656 . ?
O6 Na2 As5 155.4(5) 4_646 . ?
OH1 Na2 As5 102.1(4) 4_646 . ?
O9 Na2 As5 87.3(3) 2_656 . ?
Na6 Na2 As5 75.2(6) . . ?
Fe3 Na2 As5 129.0(4) 4_656 . ?
O15 Na2 Na1 146.2(6) . . ?
OW2 Na2 Na1 42.0(6) . . ?
O17 Na2 Na1 130.6(5) 4_656 . ?
O6 Na2 Na1 75.3(4) 4_646 . ?
OH1 Na2 Na1 75.5(5) 4_646 . ?
O9 Na2 Na1 124.7(5) 2_656 . ?
Na6 Na2 Na1 56.9(7) . . ?
Fe3 Na2 Na1 101.7(4) 4_656 . ?
As5 Na2 Na1 127.7(4) . . ?
O15 Na2 As6 58.0(3) . 4_656 ?
OW2 Na2 As6 159.0(7) . 4_656 ?
O17 Na2 As6 24.8(3) 4_656 4_656 ?
O6 Na2 As6 90.5(4) 4_646 4_656 ?
OH1 Na2 As6 84.2(4) 4_646 4_656 ?
O9 Na2 As6 67.0(3) 2_656 4_656 ?
Na6 Na2 As6 146.1(7) . 4_656 ?
Fe3 Na2 As6 57.9(2) 4_656 4_656 ?
As5 Na2 As6 71.1(2) . 4_656 ?
Na1 Na2 As6 154.6(4) . 4_656 ?
O15 Na2 Na5 82.8(6) . 4_646 ?
OW2 Na2 Na5 116.1(8) . 4_646 ?
O17 Na2 Na5 54.8(5) 4_656 4_646 ?
O6 Na2 Na5 110.7(6) 4_646 4_646 ?
OH1 Na2 Na5 36.5(5) 4_646 4_646 ?
O9 Na2 Na5 121.7(6) 2_656 4_646 ?
Na6 Na2 Na5 117.3(8) . 4_646 ?
Fe3 Na2 Na5 79.6(5) 4_656 4_646 ?
As5 Na2 Na5 72.4(5) . 4_646 ?
Na1 Na2 Na5 110.3(6) . 4_646 ?
As6 Na2 Na5 54.8(5) 4_656 4_646 ?
Na3 Na3 OW3 164.0(18) 2_556 . ?
Na3 Na3 OH2 92(3) 2_556 3_445 ?
OW3 Na3 OH2 83.3(15) . 3_445 ?
Na3 Na3 O1 93.7(19) 2_556 1_445 ?
OW3 Na3 O1 98.2(16) . 1_445 ?
OH2 Na3 O1 148.8(16) 3_445 1_445 ?
Na3 Na3 OH2 64(3) 2_556 4_546 ?
OW3 Na3 OH2 103.8(16) . 4_546 ?
OH2 Na3 OH2 113.4(14) 3_445 4_546 ?
O1 Na3 OH2 96.7(12) 1_445 4_546 ?
Na3 Na3 O1 64.2(17) 2_556 2_646 ?
OW3 Na3 O1 131.3(17) . 2_646 ?
OH2 Na3 O1 95.9(12) 3_445 2_646 ?
O1 Na3 O1 59.8(8) 1_445 2_646 ?
OH2 Na3 O1 120.5(12) 4_546 2_646 ?
Na3 Na3 As1 106(3) 2_556 1_445 ?
OW3 Na3 As1 80.8(13) . 1_445 ?
OH2 Na3 As1 160.2(12) 3_445 1_445 ?
O1 Na3 As1 26.2(4) 1_445 1_445 ?
OH2 Na3 As1 82.0(9) 4_546 1_445 ?
O1 Na3 As1 85.9(9) 2_646 1_445 ?
Na3 Na3 Na5 164.6(18) 2_556 1_445 ?
OW3 Na3 Na5 29.7(13) . 1_445 ?
OH2 Na3 Na5 100.6(11) 3_445 1_445 ?
O1 Na3 Na5 70.9(8) 1_445 1_445 ?
OH2 Na3 Na5 117.4(12) 4_546 1_445 ?
O1 Na3 Na5 105.3(10) 2_646 1_445 ?
As1 Na3 Na5 60.1(6) 1_445 1_445 ?
Na3 Na3 Na1 98(4) 2_556 2_656 ?
OW3 Na3 Na1 87.2(13) . 2_656 ?
OH2 Na3 Na1 36.7(7) 3_445 2_656 ?
O1 Na3 Na1 112.1(11) 1_445 2_656 ?
OH2 Na3 Na1 147.5(12) 4_546 2_656 ?
O1 Na3 Na1 66.8(7) 2_646 2_656 ?
As1 Na3 Na1 130.3(9) 1_445 2_656 ?
Na5 Na3 Na1 87.1(8) 1_445 2_656 ?
OH6 Na4 O7 151.1(15) . 1_655 ?
OH6 Na4 OW1 80.0(11) . . ?
O7 Na4 OW1 96.2(13) 1_655 . ?
OH6 Na4 OH4 117.1(12) . 2_756 ?
O7 Na4 OH4 90.7(10) 1_655 2_756 ?
OW1 Na4 OH4 83.8(12) . 2_756 ?
OH6 Na4 O4 95.8(11) . . ?
O7 Na4 O4 66.9(8) 1_655 . ?
OW1 Na4 O4 136.0(15) . . ?
OH4 Na4 O4 133.9(12) 2_756 . ?
OH6 Na4 OW3 81.9(13) . 1_655 ?
O7 Na4 OW3 117.8(13) 1_655 1_655 ?
OW1 Na4 OW3 135.7(16) . 1_655 ?
OH4 Na4 OW3 69.2(11) 2_756 1_655 ?
O4 Na4 OW3 85.8(12) . 1_655 ?
OH6 Na4 Fe2 124.0(11) . 1_655 ?
O7 Na4 Fe2 33.6(4) 1_655 1_655 ?
OW1 Na4 Fe2 116.7(13) . 1_655 ?
OH4 Na4 Fe2 117.7(10) 2_756 1_655 ?
O4 Na4 Fe2 33.7(4) . 1_655 ?
OW3 Na4 Fe2 107.0(11) 1_655 1_655 ?
OH6 Na4 As3 155.0(13) . 1_655 ?
O7 Na4 As3 23.5(4) 1_655 1_655 ?
OW1 Na4 As3 78.7(10) . 1_655 ?
OH4 Na4 As3 73.4(8) 2_756 1_655 ?
O4 Na4 As3 90.5(8) . 1_655 ?
OW3 Na4 As3 122.8(12) 1_655 1_655 ?
Fe2 Na4 As3 57.0(4) 1_655 1_655 ?
OW3 Na5 OH1 100.4(15) 1_665 . ?
OW3 Na5 O16 86.7(15) 1_665 1_565 ?
OH1 Na5 O16 106.1(11) . 1_565 ?
OW3 Na5 OH3 76.1(14) 1_665 1_655 ?
OH1 Na5 OH3 109.2(12) . 1_655 ?
O16 Na5 OH3 142.9(14) 1_565 1_655 ?
OW3 Na5 O13 116.2(17) 1_665 3 ?
OH1 Na5 O13 139.8(13) . 3 ?
O16 Na5 O13 62.6(7) 1_565 3 ?
OH3 Na5 O13 95.8(10) 1_655 3 ?
OW3 Na5 OW1 152.2(18) 1_665 . ?
OH1 Na5 OW1 68.0(10) . . ?
O16 Na5 OW1 120.5(12) 1_565 . ?
OH3 Na5 OW1 83.9(11) 1_655 . ?
O13 Na5 OW1 84.6(10) 3 . ?
OW3 Na5 As6 73.8(13) 1_665 1_565 ?
OH1 Na5 As6 85.8(9) . 1_565 ?
O16 Na5 As6 26.3(4) 1_565 1_565 ?
OH3 Na5 As6 148.4(12) 1_655 1_565 ?
O13 Na5 As6 88.8(8) 3 1_565 ?
OW1 Na5 As6 127.8(11) . 1_565 ?
OW3 Na5 Na3 32.1(13) 1_665 1_665 ?
OH1 Na5 Na3 79.3(9) . 1_665 ?
O16 Na5 Na3 115.6(11) 1_565 1_665 ?
OH3 Na5 Na3 61.5(8) 1_655 1_665 ?
O13 Na5 Na3 141.0(12) 3 1_665 ?
OW1 Na5 Na3 120.5(11) . 1_665 ?
As6 Na5 Na3 96.0(9) 1_565 1_665 ?
OW3 Na5 Na2 108.1(14) 1_665 4_656 ?
OH1 Na5 Na2 38.1(6) . 4_656 ?
O16 Na5 Na2 69.5(7) 1_565 4_656 ?
OH3 Na5 Na2 147.1(11) 1_655 4_656 ?
O13 Na5 Na2 110.1(9) 3 4_656 ?
OW1 Na5 Na2 78.9(9) . 4_656 ?
As6 Na5 Na2 55.2(5) 1_565 4_656 ?
Na3 Na5 Na2 104.3(9) 1_665 4_656 ?
OW2 Na6 O11 115(2) . . ?
OW2 Na6 O14 151(3) . 4_646 ?
O11 Na6 O14 83.7(11) . 4_646 ?
OW2 Na6 O18 105(2) . 4_646 ?
O11 Na6 O18 135.9(15) . 4_646 ?
O14 Na6 O18 68.5(9) 4_646 4_646 ?
OW2 Na6 O12 129(2) . 4_645 ?
O11 Na6 O12 66.3(9) . 4_645 ?
O14 Na6 O12 77.9(10) 4_646 4_645 ?
O18 Na6 O12 74.6(9) 4_646 4_645 ?
OW2 Na6 OH3 92(2) . 2_646 ?
O11 Na6 OH3 110.7(12) . 2_646 ?
O14 Na6 OH3 59.8(8) 4_646 2_646 ?
O18 Na6 OH3 84.7(11) 4_646 2_646 ?
O12 Na6 OH3 137.4(13) 4_645 2_646 ?
OW2 Na6 Na1 34.2(16) . . ?
O11 Na6 Na1 139.9(14) . . ?
O14 Na6 Na1 117.5(12) 4_646 . ?
O18 Na6 Na1 84.2(10) 4_646 . ?
O12 Na6 Na1 147.0(12) 4_645 . ?
OH3 Na6 Na1 62.7(7) 2_646 . ?
OW2 Na6 Na2 31.0(16) . . ?
O11 Na6 Na2 86.5(11) . . ?
O14 Na6 Na2 165.0(13) 4_646 . ?
O18 Na6 Na2 125.9(12) 4_646 . ?
O12 Na6 Na2 108.3(11) 4_645 . ?
OH3 Na6 Na2 114.0(11) 2_646 . ?
Na1 Na6 Na2 64.7(7) . . ?
OW2 Na6 Fe4 133(2) . 4_646 ?
O11 Na6 Fe4 111.7(11) . 4_646 ?
O14 Na6 Fe4 34.4(5) 4_646 4_646 ?
O18 Na6 Fe4 34.2(5) 4_646 4_646 ?
O12 Na6 Fe4 73.5(8) 4_645 4_646 ?
OH3 Na6 Fe4 68.8(8) 2_646 4_646 ?
Na1 Na6 Fe4 102.4(9) . 4_646 ?
Na2 Na6 Fe4 159.8(11) . 4_646 ?
OW2 Na6 As5 159(2) . 4_645 ?
O11 Na6 As5 58.2(7) . 4_645 ?
O14 Na6 As5 25.5(4) 4_646 4_645 ?
O18 Na6 As5 89.9(10) 4_646 4_645 ?
O12 Na6 As5 69.4(7) 4_645 4_645 ?
OH3 Na6 As5 73.9(8) 2_646 4_645 ?
Na1 Na6 As5 136.5(11) . 4_645 ?
Na2 Na6 As5 143.1(11) . 4_645 ?
Fe4 Na6 As5 56.9(5) 4_646 4_645 ?
OW2 Na6 Fe4 132(2) . 1_554 ?
O11 Na6 Fe4 31.9(5) . 1_554 ?
O14 Na6 Fe4 76.2(8) 4_646 1_554 ?
O18 Na6 Fe4 105.9(11) 4_646 1_554 ?
O12 Na6 Fe4 34.7(4) 4_645 1_554 ?
OH3 Na6 Fe4 127.3(11) 2_646 1_554 ?
Na1 Na6 Fe4 165.7(12) . 1_554 ?
Na2 Na6 Fe4 101.0(9) . 1_554 ?
Fe4 Na6 Fe4 91.4(8) 4_646 1_554 ?
As5 Na6 Fe4 55.1(5) 4_645 1_554 ?
OW1 Na7 OW1 157(2) 2_656 1_454 ?
OW1 Na7 OH5 77.9(9) 2_656 3_455 ?
OW1 Na7 OH5 89.2(10) 1_454 3_455 ?
OW1 Na7 OH5 89.2(10) 2_656 4 ?
OW1 Na7 OH5 77.9(9) 1_454 4 ?
OH5 Na7 OH5 112.5(16) 3_455 4 ?
OW1 Na7 O10 83.6(10) 2_656 1_455 ?
OW1 Na7 O10 116.9(12) 1_454 1_455 ?
OH5 Na7 O10 144.4(9) 3_455 1_455 ?
OH5 Na7 O10 97.2(5) 4 1_455 ?
OW1 Na7 O10 116.9(12) 2_656 2_655 ?
OW1 Na7 O10 83.6(10) 1_454 2_655 ?
OH5 Na7 O10 97.2(5) 3_455 2_655 ?
OH5 Na7 O10 144.4(9) 4 2_655 ?
O10 Na7 O10 64.7(10) 1_455 2_655 ?
OW1 Na7 As4 70.4(8) 2_656 1_455 ?
OW1 Na7 As4 123.9(9) 1_454 1_455 ?
OH5 Na7 As4 146.9(3) 3_455 1_455 ?
OH5 Na7 As4 76.9(4) 4 1_455 ?
O10 Na7 As4 24.3(2) 1_455 1_455 ?
O10 Na7 As4 88.9(10) 2_655 1_455 ?
OW1 Na7 As4 123.9(9) 2_656 2_655 ?
OW1 Na7 As4 70.4(8) 1_454 2_655 ?
OH5 Na7 As4 76.9(4) 3_455 2_655 ?
OH5 Na7 As4 146.9(3) 4 2_655 ?
O10 Na7 As4 88.9(10) 1_455 2_655 ?
O10 Na7 As4 24.3(2) 2_655 2_655 ?
As4 Na7 As4 113.2(10) 1_455 2_655 ?
OW1 Na7 Fe1 101.6(12) 2_656 . ?
OW1 Na7 Fe1 101.6(12) 1_454 . ?
OH5 Na7 Fe1 123.7(8) 3_455 . ?
OH5 Na7 Fe1 123.7(8) 4 . ?
O10 Na7 Fe1 32.3(5) 1_455 . ?
O10 Na7 Fe1 32.3(5) 2_655 . ?
As4 Na7 Fe1 56.6(5) 1_455 . ?
As4 Na7 Fe1 56.6(5) 2_655 . ?
As1 O1 Fe2 137.2(7) . 1_655 ?
As1 O1 Na3 110.7(9) . 1_665 ?
Fe2 O1 Na3 111.6(9) 1_655 1_665 ?
As1 O1 Na3 120.5(9) . 2_666 ?
Fe2 O1 Na3 101.5(8) 1_655 2_666 ?
Na3 O1 Na3 22.0(12) 1_665 2_666 ?
As1 O2 Fe3 134.2(6) . 1_565 ?
As1 O2 Na1 116.3(6) . 1_565 ?
Fe3 O2 Na1 100.4(5) 1_565 1_565 ?
As1 O3 Fe3 123.2(5) . 4_656 ?
As1 O3 Na1 133.4(6) . 4_656 ?
Fe3 O3 Na1 98.2(5) 4_656 4_656 ?
As2 O4 Fe2 136.1(6) 4_646 1_655 ?
As2 O4 Na4 122.0(9) 4_646 . ?
Fe2 O4 Na4 101.4(8) 1_655 . ?
As2 O5 Fe3 134.4(6) 4_646 . ?
As2 O5 Na1 116.3(6) 4_646 4_656 ?
Fe3 O5 Na1 91.6(4) . 4_656 ?
As2 O6 Fe3 124.0(5) . 1_565 ?
As2 O6 Na2 133.7(6) . 4_656 ?
Fe3 O6 Na2 97.5(4) 1_565 4_656 ?
As3 O7 Fe2 133.4(6) . . ?
As3 O7 Na4 121.3(8) . 1_455 ?
Fe2 O7 Na4 104.8(8) . 1_455 ?
As3 O8 Fe3 122.8(5) 3_545 . ?
As3 O8 Na1 119.8(6) 3_545 4_656 ?
Fe3 O8 Na1 116.2(5) . 4_656 ?
As3 O9 Fe4 132.1(6) . 3_455 ?
As3 O9 Na2 116.9(5) . 2_656 ?
Fe4 O9 Na2 93.4(4) 3_455 2_656 ?
As4 O10 Fe1 136.2(5) . 1_655 ?
As4 O10 Na7 117.7(6) . 1_655 ?
Fe1 O10 Na7 106.1(6) 1_655 1_655 ?
As4 O11 Fe4 123.5(5) . 1_554 ?
As4 O11 Na6 126.5(9) . . ?
Fe4 O11 Na6 109.4(9) 1_554 . ?
As4 O12 Fe4 130.0(5) . 4_656 ?
As4 O12 Na6 117.3(8) . 4_655 ?
Fe4 O12 Na6 94.5(8) 4_656 4_655 ?
As5 O13 Fe1 137.5(6) 1_556 3_556 ?
As5 O13 Na5 117.0(8) 1_556 3_445 ?
Fe1 O13 Na5 105.4(8) 3_556 3_445 ?
As5 O14 Fe4 130.1(5) 1_556 . ?
As5 O14 Na6 115.3(9) 1_556 4_656 ?
Fe4 O14 Na6 101.4(8) . 4_656 ?
As5 O15 Fe4 125.5(5) . 4_656 ?
As5 O15 Na2 119.2(5) . . ?
Fe4 O15 Na2 114.7(5) 4_656 . ?
As6 O16 Fe1 139.2(6) . 1_656 ?
As6 O16 Na5 112.3(8) . 1_545 ?
Fe1 O16 Na5 108.4(7) 1_656 1_545 ?
As6 O17 Fe3 131.7(6) . . ?
As6 O17 Na2 118.3(5) . 4_646 ?
Fe3 O17 Na2 100.9(5) . 4_646 ?
As6 O18 Fe4 123.1(5) . . ?
As6 O18 Na6 132.6(9) . 4_656 ?
Fe4 O18 Na6 101.6(8) . 4_656 ?
As1 OH1 Na5 121.5(10) . . ?
As1 OH1 Na2 112.0(6) . 4_656 ?
Na5 OH1 Na2 105.3(8) . 4_656 ?
As2 OH2 Na3 131.0(11) . 3 ?
As2 OH2 Na1 111.5(7) . 4_656 ?
Na3 OH2 Na1 109.2(10) 3 4_656 ?
As2 OH2 Na3 112.3(10) . 4_556 ?
Na3 OH2 Na3 23.8(13) 3 4_556 ?
Na1 OH2 Na3 111.9(10) 4_656 4_556 ?
As3 OH3 Na5 131.5(11) . 1_455 ?
As3 OH3 Na6 111.5(9) . 2_666 ?
Na5 OH3 Na6 109.3(11) 1_455 2_666 ?
As4 OH4 Na4 126.7(9) . 2_756 ?
As5 OH5 Na7 130.6(8) . 3_545 ?
As6 OH6 Na4 131.5(11) . . ?
Na7 OW1 Na4 130.3(19) 1_656 . ?
Na7 OW1 Na5 118.1(16) 1_656 . ?
Na4 OW1 Na5 111.5(14) . . ?
Na6 OW2 Na1 129(2) . . ?
Na6 OW2 Na2 134(2) . . ?
Na1 OW2 Na2 95.8(10) . . ?
Na5 OW3 Na3 118(2) 1_445 . ?
Na5 OW3 Na4 128.0(19) 1_445 1_455 ?
Na3 OW3 Na4 113.3(19) . 1_455 ?
 
_refine_diff_density_max    2.618
_refine_diff_density_min   -1.221
_refine_diff_density_rms    0.273



