 
data_test
 
_audit_creation_method            'SHELXL-2018/3'
_shelx_SHELXL_version_number      '2018/3'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'Na1.19 O18.70 Si6 Ti0.05 Zr0.94' 
_chemical_formula_weight          583.94

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'
 'Zr'  'Zr'  -2.9673   0.5597
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Ti'  'Ti'   0.2776   0.4457
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 
_space_group_crystal_system       orthorhombic
_space_group_IT_number            28
_space_group_name_H-M_alt         'P m a 2'
_space_group_name_Hall            'P 2 -2a'
 
_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+1/2, -y, z'
 '-x, -y, z'
 
_cell_length_a                    14.5916(6)
_cell_length_b                    7.3294(3)
_cell_length_c                    7.1387(2)
_cell_angle_alpha                 90
_cell_angle_beta                  90
_cell_angle_gamma                 90
_cell_volume                      763.47(5)
_cell_formula_units_Z             2
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     6452
_cell_measurement_theta_min       2.7240
_cell_measurement_theta_max       34.4190
 
_exptl_crystal_description        prismatic 
_exptl_crystal_colour             colorless
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     2.540          
_exptl_crystal_F_000              571
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.80
_exptl_crystal_size_mid           0.08
_exptl_crystal_size_min           0.05
_exptl_absorpt_coefficient_mu     1.321
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.66784
_exptl_absorpt_correction_T_max   1.00000
_exptl_absorpt_process_details    
;
CrysAlisPro 1.171.39.46 (Rigaku Oxford Diffraction, 2018)
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                    'fine-focus sealed X-ray tube'
_diffrn_measurement_device_type   'Xcalibur, Sapphire3'
_diffrn_measurement_method        'ω scans'
_diffrn_detector_area_resol_mean  16.0630
_diffrn_reflns_number             12230
_diffrn_reflns_av_unetI/netI      0.0307
_diffrn_reflns_av_R_equivalents   0.0548
_diffrn_reflns_limit_h_min        -19
_diffrn_reflns_limit_h_max        19
_diffrn_reflns_limit_k_min        -9
_diffrn_reflns_limit_k_max        9
_diffrn_reflns_limit_l_min        -9
_diffrn_reflns_limit_l_max        9
_diffrn_reflns_theta_min          2.779
_diffrn_reflns_theta_max          28.277
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.963
_diffrn_measured_fraction_theta_full  0.964
_diffrn_reflns_Laue_measured_fraction_max    0.963
_diffrn_reflns_Laue_measured_fraction_full   0.964
_diffrn_reflns_point_group_measured_fraction_max   0.952
_diffrn_reflns_point_group_measured_fraction_full  0.955
_reflns_number_total              1883
_reflns_number_gt                 1654
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.835
_reflns_Friedel_fraction_max      0.940
_reflns_Friedel_fraction_full     0.944
 
_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. Completness statistics refer to single and
 composite reflections containing twin component 1 only.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details
;
 Refined as a 2-component inversion twin.
;
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0632P)²+0.3999P] 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_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack    0.45(16)
_chemical_absolute_configuration  ?
_refine_ls_number_reflns          1883
_refine_ls_number_parameters      128
_refine_ls_number_restraints      1
_refine_ls_R_factor_all           0.0398
_refine_ls_R_factor_gt            0.0343
_refine_ls_wR_factor_ref          0.0948
_refine_ls_wR_factor_gt           0.0914
_refine_ls_goodness_of_fit_ref    1.044
_refine_ls_restrained_S_all       1.044
_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
Zr Zr 0.500000 0.500000 0.3796(5) 0.0085(2) Uani 0.947(10) 2 d S T P . .
Ti Ti 0.500000 0.500000 0.3796(5) 0.0085(2) Uani 0.053(10) 2 d S T P . .
Si1 Si 0.35847(8) 0.90579(16) 0.3768(7) 0.0114(3) Uani 1 1 d . . . . .
Si2 Si 0.35474(18) 0.2221(3) 0.6574(2) 0.0104(6) Uani 1 1 d . . . . .
Si3 Si 0.35641(18) 0.2230(3) 0.1018(2) 0.0123(7) Uiso 1 1 d . . . . .
Na2 Na 0.500000 0.500000 0.883(2) 0.0221(13) Uani 0.78(4) 2 d S T P . .
OA2 O 0.500000 0.500000 0.883(2) 0.0221(13) Uani 0.22(4) 2 d S T P . .
Na1 Na 0.250000 0.5357(7) 0.3255(9) 0.035(3) Uani 0.41(6) 2 d S T P . .
OA1 O 0.250000 0.5357(7) 0.3255(9) 0.035(3) Uani 0.59(6) 2 d S T P . .
O1 O 0.3628(2) 0.1946(5) 0.8803(17) 0.0219(8) Uani 1 1 d . . . . .
O2 O 0.4199(5) 0.3770(10) 0.1767(11) 0.0195(18) Uani 1 1 d . . . . .
O3 O 0.4209(5) 0.3869(9) 0.5913(10) 0.0187(19) Uani 1 1 d . . . . .
O4 O 0.250000 0.2683(17) 0.1619(17) 0.025(3) Uani 1 2 d S T P . .
O5 O 0.3821(8) 0.0297(11) 0.5605(16) 0.028(3) Uani 1 1 d . . . . .
O6 O 0.3818(8) 0.0249(8) 0.1909(14) 0.019(2) Uani 1 1 d . . . . .
O7 O 0.250000 0.2711(15) 0.6068(18) 0.025(3) Uiso 1 2 d S . P . .
O8 O 0.250000 0.8581(8) 0.381(2) 0.0286(15) Uani 1 2 d S T P . .
O9 O 0.4129(2) 0.7201(4) 0.3745(17) 0.0206(8) Uani 1 1 d . . . . .
OW1 O 0.4184(4) 0.7706(7) 0.890(2) 0.0448(14) Uani 1 1 d . . . . .
OW2 O 0.250000 0.6235(19) 0.762(2) 0.073(6) Uani 0.89(3) 2 d S T 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
Zr O9 2.054(3) 4_665 ?
Zr O9 2.054(3) . ?
Zr O2 2.069(7) . ?
Zr O2 2.069(7) 4_665 ?
Zr O3 2.074(7) . ?
Zr O3 2.074(7) 4_665 ?
Zr Na2 3.546(17) 1_554 ?
Zr Na2 3.592(17) . ?
Zr Na1 3.6776(8) . ?
Zr Na1 3.6776(8) 3_565 ?
Si1 O9 1.576(3) . ?
Si1 O8 1.6211(16) . ?
Si1 O6 1.625(11) 1_565 ?
Si1 O5 1.632(12) 1_565 ?
Si1 Na1 3.162(5) . ?
Si2 O1 1.608(12) . ?
Si2 O7 1.611(5) . ?
Si2 O3 1.617(7) . ?
Si2 O5 1.620(9) . ?
Si2 Na2 3.351(9) . ?
Si3 O2 1.554(8) . ?
Si3 O1 1.597(13) 1_554 ?
Si3 O6 1.628(8) . ?
Si3 O4 1.645(5) . ?
Si3 Na1 3.195(5) . ?
Si3 Na2 3.310(9) 1_554 ?
Na2 OW1 2.314(5) . ?
Na2 OW1 2.314(5) 4_665 ?
Na2 O3 2.519(16) 4_665 ?
Na2 O3 2.519(16) . ?
Na2 O2 2.565(17) 4_666 ?
Na2 O2 2.565(17) 1_556 ?
Na2 O1 3.003(4) 4_665 ?
Na2 O1 3.003(4) . ?
Na1 O4 2.281(13) . ?
Na1 O8 2.396(9) . ?
Na1 O9 2.756(5) . ?
Na1 O9 2.757(5) 2 ?
Na1 O7 2.791(12) . ?
Na1 O2 2.937(8) . ?
Na1 O2 2.937(8) 2 ?
 
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 Zr O9 178.0(7) 4_665 . ?
O9 Zr O2 89.7(3) 4_665 . ?
O9 Zr O2 88.8(3) . . ?
O9 Zr O2 88.8(3) 4_665 4_665 ?
O9 Zr O2 89.7(3) . 4_665 ?
O2 Zr O2 91.1(5) . 4_665 ?
O9 Zr O3 92.5(3) 4_665 . ?
O9 Zr O3 89.0(3) . . ?
O2 Zr O3 91.24(16) . . ?
O2 Zr O3 177.3(4) 4_665 . ?
O9 Zr O3 89.0(3) 4_665 4_665 ?
O9 Zr O3 92.5(3) . 4_665 ?
O2 Zr O3 177.3(4) . 4_665 ?
O2 Zr O3 91.24(16) 4_665 4_665 ?
O3 Zr O3 86.4(4) . 4_665 ?
O9 Zr Na2 89.0(3) 4_665 1_554 ?
O9 Zr Na2 89.0(3) . 1_554 ?
O2 Zr Na2 45.5(2) . 1_554 ?
O2 Zr Na2 45.5(2) 4_665 1_554 ?
O3 Zr Na2 136.8(2) . 1_554 ?
O3 Zr Na2 136.8(2) 4_665 1_554 ?
O9 Zr Na2 91.0(3) 4_665 . ?
O9 Zr Na2 91.0(3) . . ?
O2 Zr Na2 134.5(2) . . ?
O2 Zr Na2 134.5(2) 4_665 . ?
O3 Zr Na2 43.2(2) . . ?
O3 Zr Na2 43.2(2) 4_665 . ?
Na2 Zr Na2 180.0 1_554 . ?
O9 Zr Na1 131.90(14) 4_665 . ?
O9 Zr Na1 47.81(13) . . ?
O2 Zr Na1 52.9(2) . . ?
O2 Zr Na1 117.1(2) 4_665 . ?
O3 Zr Na1 63.5(2) . . ?
O3 Zr Na1 126.9(2) 4_665 . ?
Na2 Zr Na1 83.97(10) 1_554 . ?
Na2 Zr Na1 96.03(10) . . ?
O9 Zr Na1 47.81(13) 4_665 3_565 ?
O9 Zr Na1 131.90(14) . 3_565 ?
O2 Zr Na1 117.1(2) . 3_565 ?
O2 Zr Na1 52.9(2) 4_665 3_565 ?
O3 Zr Na1 126.9(2) . 3_565 ?
O3 Zr Na1 63.5(2) 4_665 3_565 ?
Na2 Zr Na1 83.97(10) 1_554 3_565 ?
Na2 Zr Na1 96.03(10) . 3_565 ?
Na1 Zr Na1 167.9(2) . 3_565 ?
O9 Si1 O8 107.8(3) . . ?
O9 Si1 O6 110.5(6) . 1_565 ?
O8 Si1 O6 109.6(7) . 1_565 ?
O9 Si1 O5 112.5(6) . 1_565 ?
O8 Si1 O5 108.2(7) . 1_565 ?
O6 Si1 O5 108.2(2) 1_565 1_565 ?
O9 Si1 Na1 60.66(15) . . ?
O8 Si1 Na1 47.8(3) . . ?
O6 Si1 Na1 118.1(4) 1_565 . ?
O5 Si1 Na1 132.5(4) 1_565 . ?
O1 Si2 O7 108.6(5) . . ?
O1 Si2 O3 109.8(3) . . ?
O7 Si2 O3 109.5(5) . . ?
O1 Si2 O5 107.2(5) . . ?
O7 Si2 O5 109.4(7) . . ?
O3 Si2 O5 112.3(5) . . ?
O1 Si2 Na2 63.5(3) . . ?
O7 Si2 Na2 124.9(4) . . ?
O3 Si2 Na2 46.2(4) . . ?
O5 Si2 Na2 125.3(5) . . ?
O2 Si3 O1 113.6(4) . 1_554 ?
O2 Si3 O6 112.2(5) . . ?
O1 Si3 O6 104.9(4) 1_554 . ?
O2 Si3 O4 109.0(5) . . ?
O1 Si3 O4 109.9(5) 1_554 . ?
O6 Si3 O4 107.0(6) . . ?
O2 Si3 Na1 66.2(3) . . ?
O1 Si3 Na1 128.1(2) 1_554 . ?
O6 Si3 Na1 123.7(4) . . ?
O4 Si3 Na1 42.8(4) . . ?
O2 Si3 Na2 48.7(4) . 1_554 ?
O1 Si3 Na2 64.9(3) 1_554 1_554 ?
O6 Si3 Na2 126.0(4) . 1_554 ?
O4 Si3 Na2 126.7(5) . 1_554 ?
Na1 Si3 Na2 95.96(17) . 1_554 ?
OW1 Na2 OW1 177.5(10) . 4_665 ?
OW1 Na2 O3 88.4(4) . 4_665 ?
OW1 Na2 O3 93.7(5) 4_665 4_665 ?
OW1 Na2 O3 93.7(5) . . ?
OW1 Na2 O3 88.4(4) 4_665 . ?
O3 Na2 O3 68.6(5) 4_665 . ?
OW1 Na2 O2 85.2(4) . 4_666 ?
OW1 Na2 O2 92.8(5) 4_665 4_666 ?
O3 Na2 O2 110.54(11) 4_665 4_666 ?
O3 Na2 O2 178.6(4) . 4_666 ?
OW1 Na2 O2 92.8(5) . 1_556 ?
OW1 Na2 O2 85.2(4) 4_665 1_556 ?
O3 Na2 O2 178.6(4) 4_665 1_556 ?
O3 Na2 O2 110.54(11) . 1_556 ?
O2 Na2 O2 70.3(5) 4_666 1_556 ?
OW1 Na2 O1 72.80(16) . 4_665 ?
OW1 Na2 O1 107.21(16) 4_665 4_665 ?
O3 Na2 O1 56.3(3) 4_665 4_665 ?
O3 Na2 O1 123.1(6) . 4_665 ?
O2 Na2 O1 55.9(3) 4_666 4_665 ?
O2 Na2 O1 124.8(6) 1_556 4_665 ?
OW1 Na2 O1 107.21(16) . . ?
OW1 Na2 O1 72.81(16) 4_665 . ?
O3 Na2 O1 123.1(6) 4_665 . ?
O3 Na2 O1 56.3(3) . . ?
O2 Na2 O1 124.8(6) 4_666 . ?
O2 Na2 O1 55.9(3) 1_556 . ?
O1 Na2 O1 179.3(8) 4_665 . ?
OW1 Na2 Si3 77.9(3) . 4_666 ?
OW1 Na2 Si3 100.9(3) 4_665 4_666 ?
O3 Na2 Si3 84.17(17) 4_665 4_666 ?
O3 Na2 Si3 151.9(5) . 4_666 ?
O2 Na2 Si3 27.08(18) 4_666 4_666 ?
O2 Na2 Si3 96.8(5) 1_556 4_666 ?
O1 Na2 Si3 28.8(2) 4_665 4_666 ?
O1 Na2 Si3 151.9(6) . 4_666 ?
OW1 Na2 Si3 100.9(3) . 1_556 ?
OW1 Na2 Si3 77.9(3) 4_665 1_556 ?
O3 Na2 Si3 151.9(5) 4_665 1_556 ?
O3 Na2 Si3 84.17(17) . 1_556 ?
O2 Na2 Si3 96.8(5) 4_666 1_556 ?
O2 Na2 Si3 27.08(18) 1_556 1_556 ?
O1 Na2 Si3 151.9(6) 4_665 1_556 ?
O1 Na2 Si3 28.8(2) . 1_556 ?
Si3 Na2 Si3 123.6(6) 4_666 1_556 ?
OW1 Na2 Si2 79.3(2) . 4_665 ?
OW1 Na2 Si2 101.9(3) 4_665 4_665 ?
O3 Na2 Si2 27.61(16) 4_665 4_665 ?
O3 Na2 Si2 95.3(5) . 4_665 ?
O2 Na2 Si2 83.72(17) 4_666 4_665 ?
O2 Na2 Si2 153.5(5) 1_556 4_665 ?
O1 Na2 Si2 28.7(2) 4_665 4_665 ?
O1 Na2 Si2 150.7(6) . 4_665 ?
Si3 Na2 Si2 56.88(3) 4_666 4_665 ?
Si3 Na2 Si2 179.5(5) 1_556 4_665 ?
OW1 Na2 Si2 101.9(3) . . ?
OW1 Na2 Si2 79.3(2) 4_665 . ?
O3 Na2 Si2 95.3(5) 4_665 . ?
O3 Na2 Si2 27.61(16) . . ?
O2 Na2 Si2 153.5(5) 4_666 . ?
O2 Na2 Si2 83.72(17) 1_556 . ?
O1 Na2 Si2 150.7(6) 4_665 . ?
O1 Na2 Si2 28.7(2) . . ?
Si3 Na2 Si2 179.5(5) 4_666 . ?
Si3 Na2 Si2 56.88(3) 1_556 . ?
Si2 Na2 Si2 122.6(5) 4_665 . ?
O4 Na1 O8 158.7(6) . . ?
O4 Na1 O9 119.09(19) . . ?
O8 Na1 O9 59.70(12) . . ?
O4 Na1 O9 119.09(19) . 2 ?
O8 Na1 O9 59.70(12) . 2 ?
O9 Na1 O9 119.1(3) . 2 ?
O4 Na1 O7 76.8(2) . . ?
O8 Na1 O7 124.5(5) . . ?
O9 Na1 O7 104.4(3) . . ?
O9 Na1 O7 104.4(3) 2 . ?
O4 Na1 O2 58.31(17) . . ?
O8 Na1 O2 116.8(2) . . ?
O9 Na1 O2 60.81(19) . . ?
O9 Na1 O2 165.4(4) 2 . ?
O7 Na1 O2 89.2(2) . . ?
O4 Na1 O2 58.31(17) . 2 ?
O8 Na1 O2 116.8(2) . 2 ?
O9 Na1 O2 165.4(4) . 2 ?
O9 Na1 O2 60.81(19) 2 2 ?
O7 Na1 O2 89.2(2) . 2 ?
O2 Na1 O2 115.1(3) . 2 ?
O4 Na1 Si1 142.8(2) . 2 ?
O8 Na1 Si1 30.08(6) . 2 ?
O9 Na1 Si1 89.79(16) . 2 ?
O9 Na1 Si1 29.90(8) 2 2 ?
O7 Na1 Si1 120.8(3) . 2 ?
O2 Na1 Si1 143.5(2) . 2 ?
O2 Na1 Si1 87.66(16) 2 2 ?
O4 Na1 Si1 142.8(2) . . ?
O8 Na1 Si1 30.08(6) . . ?
O9 Na1 Si1 29.89(8) . . ?
O9 Na1 Si1 89.79(16) 2 . ?
O7 Na1 Si1 120.8(3) . . ?
O2 Na1 Si1 87.66(16) . . ?
O2 Na1 Si1 143.5(2) 2 . ?
Si1 Na1 Si1 60.07(10) 2 . ?
O4 Na1 Si3 29.33(8) . 2 ?
O8 Na1 Si3 142.1(3) . 2 ?
O9 Na1 Si3 146.5(3) . 2 ?
O9 Na1 Si3 89.77(16) 2 2 ?
O7 Na1 Si3 82.0(3) . 2 ?
O2 Na1 Si3 86.9(2) . 2 ?
O2 Na1 Si3 28.97(15) 2 2 ?
Si1 Na1 Si3 115.46(10) 2 2 ?
Si1 Na1 Si3 156.4(3) . 2 ?
O4 Na1 Si3 29.33(8) . . ?
O8 Na1 Si3 142.1(3) . . ?
O9 Na1 Si3 89.77(16) . . ?
O9 Na1 Si3 146.5(3) 2 . ?
O7 Na1 Si3 82.0(3) . . ?
O2 Na1 Si3 28.97(15) . . ?
O2 Na1 Si3 86.9(2) 2 . ?
Si1 Na1 Si3 156.4(3) 2 . ?
Si1 Na1 Si3 115.46(10) . . ?
Si3 Na1 Si3 58.14(14) 2 . ?
O4 Na1 Zr 89.58(10) . 2 ?
O8 Na1 Zr 93.03(10) . 2 ?
O9 Na1 Zr 151.3(2) . 2 ?
O9 Na1 Zr 33.51(7) 2 2 ?
O7 Na1 Zr 82.82(9) . 2 ?
O2 Na1 Zr 147.9(2) . 2 ?
O2 Na1 Zr 34.18(14) 2 2 ?
Si1 Na1 Zr 63.40(4) 2 2 ?
Si1 Na1 Zr 123.05(13) . 2 ?
Si3 Na1 Zr 61.28(7) 2 2 ?
Si3 Na1 Zr 118.91(14) . 2 ?
Si3 O1 Si2 163.5(3) 1_556 . ?
Si3 O1 Na2 86.3(4) 1_556 . ?
Si2 O1 Na2 87.8(4) . . ?
Si3 O2 Zr 153.4(5) . . ?
Si3 O2 Na2 104.2(4) . 1_554 ?
Zr O2 Na2 99.3(4) . 1_554 ?
Si3 O2 Na1 84.8(3) . . ?
Zr O2 Na1 92.9(3) . . ?
Na2 O2 Na1 122.8(3) 1_554 . ?
Si2 O3 Zr 147.5(5) . . ?
Si2 O3 Na2 106.2(4) . . ?
Zr O3 Na2 102.5(3) . . ?
Si3 O4 Si3 141.5(8) 2 . ?
Si3 O4 Na1 107.9(4) 2 . ?
Si3 O4 Na1 107.9(4) . . ?
Si2 O5 Si1 140.8(8) . 1_545 ?
Si1 O6 Si3 138.6(7) 1_545 . ?
Si2 O7 Si2 143.1(8) . 2 ?
Si2 O7 Na1 108.5(4) . . ?
Si2 O7 Na1 108.5(4) 2 . ?
Si1 O8 Si1 155.0(4) 2 . ?
Si1 O8 Na1 102.1(3) 2 . ?
Si1 O8 Na1 102.1(3) . . ?
Si1 O9 Zr 171.9(3) . . ?
Si1 O9 Na1 89.45(19) . . ?
Zr O9 Na1 98.68(16) . . ?
 
_refine_diff_density_max    2.068
_refine_diff_density_min   -0.460
_refine_diff_density_rms    0.131



