LMucko/crystallography-open-database huggingface dataset:
Observation of superstructures in La2CuO4.09
Lagueyte, N.; Weill, F.; Wattiaux, A.; Grenier, J.-C.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 859–869; doi:

data_4030535
_publ_section_title
;
 Observation of superstructures in La2CuO4.09
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              859
_journal_page_last               869
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'Cu La2 O4.09'
_chemical_formula_weight         406.794
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-B 2ab 2'
_symmetry_space_group_name_H-M   'B m a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3412(2)
_cell_length_b                   5.4033(2)
_cell_length_c                   13.2191(6)
_cell_volume                     381.50(3)
_diffrn_ambient_temperature      300
_diffrn_radiation_probe          neutron
_exptl_crystal_density_diffrn    7.183
_pd_proc_ls_prof_R_factor        0.0929
_pd_proc_ls_prof_wR_factor       0.127
_refine_ls_R_I_factor            0.107
_cod_data_source_file            EJSSIC-1993-30-859-869-2.cif
_cod_data_source_block           La2CuO4.09-4.2K
_cod_depositor_comments
;
Rietveld refinement
problem with O3
;
_cod_original_cell_volume        381.51(3)
_cod_original_sg_symbol_Hall     '-B 2bc 2'
_cod_database_code               4030535
Crystalline and liquid structure of zinc chloride trihydrate: a unique ionic liquid.
Wilcox, Robert J.; Losey, Bradley P.; Folmer, Jacob C. W.; Martin, James D.; Zeller, Matthias; Sommer, Roger; Inorganic chemistry 54 (2015) 1109–1119; doi:10.1021/ic5024532

data_4342132
_publ_section_title
;
 Crystalline and liquid structure of zinc chloride trihydrate: a unique
 ionic liquid.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1109
_journal_page_last               1119
_journal_paper_doi               10.1021/ic5024532
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         'D12 O6 Zn, Cl4 Zn'
_chemical_formula_structural     '[Zn(OD2)6][ZnCl4]'
_chemical_formula_sum            'Cl2 D6.87 O3.12 Zn'
_chemical_formula_weight         200.01
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             2014-09-05T10:12
_audit_creation_method           'APEX2 v2014.5-0'
_audit_update_record
' 2014-09-05T10:12  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.568(29)
_cell_angle_beta                 99.035(32)
_cell_angle_gamma                95.579(29)
_cell_formula_units_Z            4
_cell_length_a                   6.4753(22)
_cell_length_b                   6.5117(20)
_cell_length_c                   14.297(5)
_cell_measurement_temperature    233
_cell_volume                     592.3(3)
_computing_structure_refinement  GSAS
_pd_block_id                     2014-09-05T10:12|WORKING_phase1|gsas_fit||
_pd_phase_name
'from /SNS/lustre/NOM/IPTS-11632/shared/gsas/rds275_0m_in_P-1.cif'
_pd_prep_cool_rate               '1 K per min'
_pd_prep_temperature             233
_refine_ls_goodness_of_fit_all   7.37
_refine_ls_matrix_type           full
_refine_ls_number_parameters     7
_refine_ls_number_restraints     0
_refine_ls_shift/su_max          2.82
_refine_ls_shift/su_mean         0.46
_cod_data_source_file            ic5024532_si_002.cif
_cod_data_source_block           WORKING_phase_1
_cod_original_cell_volume        592.32(23)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4342132
Ternary rubidium rare-earth nitrates: Rb3[M2(NO3)9] (M = La, Pr-Sm) and Rb2[M(NO3)5] (M = Eu-Lu, Y)
Manek, E.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 883–894; doi:

data_4030603
_publ_section_title
;
 Ternary rubidium rare-earth nitrates: Rb3[M2(NO3)9] (M = La, Pr-Sm) and
 Rb2[M(NO3)5] (M = Eu-Lu, Y)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              883
_journal_page_last               894
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'N9 O27 Pr2 Rb3'
_chemical_formula_weight         1096.26
_space_group_IT_number           212
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      212
_symmetry_space_group_name_Hall  'P 4acd 2ab 3'
_symmetry_space_group_name_H-M   'P 43 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.813(1)
_cell_length_b                   13.813(1)
_cell_length_c                   13.813(1)
_cell_volume                     2635.5(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    9.28
_exptl_crystal_density_diffrn    2.763
_refine_ls_number_reflns         777
_refine_ls_R_factor_gt           0.043
_refine_ls_wR_factor_gt          0.034
_cod_data_source_file            EJSSIC-1993-30-883-894-1.cif
_cod_data_source_block           Rb3Pr2
_cod_original_cell_volume        2635.5(6)
_cod_database_code               4030603
Ternary rubidium rare-earth nitrates: Rb3[M2(NO3)9] (M = La, Pr-Sm) and Rb2[M(NO3)5] (M = Eu-Lu, Y)
Manek, E.; Meyer, G.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 883–894; doi:

data_4030604
_publ_section_title
;
 Ternary rubidium rare-earth nitrates: Rb3[M2(NO3)9] (M = La, Pr-Sm) and
 Rb2[M(NO3)5] (M = Eu-Lu, Y)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              883
_journal_page_last               894
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'N5 O15 Rb2 Y'
_chemical_formula_weight         569.90
_space_group_IT_number           144
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      144
_symmetry_space_group_name_Hall  'P 31'
_symmetry_space_group_name_H-M   'P 31'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   11.2376(8)
_cell_length_b                   11.2376(8)
_cell_length_c                   9.301(1)
_cell_volume                     1017.20(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    11.172
_exptl_crystal_density_diffrn    2.791
_exptl_crystal_F_000             804
_refine_ls_number_reflns         2774
_refine_ls_R_factor_gt           0.1209
_refine_ls_wR_factor_gt          0.072
_cod_data_source_file            EJSSIC-1993-30-883-894-2.cif
_cod_data_source_block           Rb2Y
_cod_original_cell_volume        1017.2(2)
_cod_database_code               4030604
Crystal growth and structure determination of the monoarsenate CsBeAsO4
Jaulmes, S.; Wallez, G.; Elfakir, A.; Quarton, M.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 1007–1015; doi:

data_4030605
_publ_section_title
;
 Crystal growth and structure determination of the monoarsenate CsBeAsO4
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1007
_journal_page_last               1015
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'As Be Cs O4'
_chemical_formula_weight         280.84
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.342(4)
_cell_length_b                   8.821(5)
_cell_length_c                   5.166(2)
_cell_volume                     425.7(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    16.287
_exptl_crystal_density_diffrn    4.382
_exptl_crystal_F_000             496
_refine_ls_number_parameters     64
_refine_ls_number_reflns         685
_refine_ls_R_factor_gt           0.0548
_refine_ls_wR_factor_gt          0.0554
_cod_data_source_file            EJSSIC-1993-30-1007-1015.cif
_cod_data_source_block           CsBeAsO4
_cod_database_code               4030605
Stabilization of six-coordinated iridium(VI) in a perovskite oxygen lattice Ba2MIrO6 (M = Ca, Sr)
Jung, D.-K.; Gravereau, P.; Demazeau, G.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 1025–1037; doi:

data_4030606
_publ_section_title
;
 Stabilization of six-coordinated iridium(VI) in a perovskite oxygen
 lattice Ba2MIrO6 (M = Ca, Sr)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1025
_journal_page_last               1037
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'Ba2 Ca Ir O6'
_chemical_formula_weight         602.96
_space_group_IT_number           225
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.3639(6)
_cell_length_b                   8.3639(6)
_cell_length_c                   8.3639(6)
_cell_volume                     585.10(7)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    6.845
_exptl_crystal_F_000             1028
_pd_proc_ls_prof_R_factor        0.067
_pd_proc_ls_prof_wR_factor       0.089
_refine_ls_R_I_factor            0.022
_cod_data_source_file            EJSSIC-1993-30-1025-1037-1.cif
_cod_data_source_block           Ba2CaIrO6
_cod_depositor_comments
;
Rietveld refinements, software DBW3.2S
;
_cod_original_cell_volume        585.10(13)
_cod_database_code               4030606
Stabilization of six-coordinated iridium(VI) in a perovskite oxygen lattice Ba2MIrO6 (M = Ca, Sr)
Jung, D.-K.; Gravereau, P.; Demazeau, G.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 1025–1037; doi:

data_4030607
_publ_section_title
;
 Stabilization of six-coordinated iridium(VI) in a perovskite oxygen
 lattice Ba2MIrO6 (M = Ca, Sr)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1025
_journal_page_last               1037
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'Ba2 Ir O6 Sr'
_chemical_formula_weight         650.50
_space_group_IT_number           166
_symmetry_cell_setting           rhombohedral
_symmetry_Int_Tables_number      166
_symmetry_space_group_name_Hall  '-P 3* 2'
_symmetry_space_group_name_H-M   'R -3 m :R'
_cell_angle_alpha                60.48(5)
_cell_angle_beta                 60.48(5)
_cell_angle_gamma                60.48(5)
_cell_formula_units_Z            1
_cell_length_a                   6.0250(1)
_cell_length_b                   6.0250(1)
_cell_length_c                   6.0250(1)
_cell_volume                     156.33(10)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    6.910
_exptl_crystal_F_000             275
_pd_proc_ls_prof_R_factor        0.106
_pd_proc_ls_prof_wR_factor       0.129
_refine_ls_R_I_factor            0.033
_cod_data_source_file            EJSSIC-1993-30-1025-1037-2.cif
_cod_data_source_block           Ba2SrIrO6
_cod_depositor_comments
;
Rietveld refinements, software DBW3.2S
;
_cod_original_cell_volume        156.33(11)
_cod_original_sg_symbol_H-M      'R -3 m r'
_cod_database_code               4030607
Synthesis and characterization of a dimolybdenum (V) complex
Wei Qiu; Li Li; Juzheng Liu; Xiaofeng Zheng; Yuguo Fan; Chunting Sun; Qijun Huang; Jingweng Zhang; European Journal of Solid State and Inorganic Chemistry 30 (1993) 1039–1048; doi:

data_4030608
_publ_section_title
;
 Synthesis and characterization of a dimolybdenum (V) complex
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1039
_journal_page_last               1048
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'C45 H31 Cl17 Mo4 O6'
_chemical_formula_weight         1654.2
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.35(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   16.763(3)
_cell_length_b                   11.142(2)
_cell_length_c                   15.694(3)
_cell_volume                     2873.9(9)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    1.68
_exptl_crystal_density_diffrn    1.912
_exptl_crystal_F_000             1612
_refine_ls_number_reflns         1788
_refine_ls_R_factor_gt           0.057
_cod_data_source_file            EJSSIC-1993-30-1039-1048.cif
_cod_data_source_block           Mo4O8
_cod_depositor_comments
;
No thermal parameter given, they were arbitrarily fixed to Biso = 2.
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               4030608
Crystal structure of a new oxyfluoride, Cd4F6O : relations to the fluorite and the beta-Bi2O3 types
Aftati, A.; Champarnaud-Mesjard, J.-C.; Frit, B.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 1063–1073; doi:

data_4030609
_publ_section_title
;
 Crystal structure of a new oxyfluoride, Cd4F6O : relations to the
 fluorite and the beta-Bi2O3 types
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1063
_journal_page_last               1073
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'Cd4 F6 O'
_chemical_formula_weight         579.64
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      137
_symmetry_space_group_name_Hall  '-P 4ac 2a'
_symmetry_space_group_name_H-M   'P 42/n m c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.499(1)
_cell_length_b                   7.499(1)
_cell_length_c                   5.4057(6)
_cell_volume                     303.99(7)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_crystal_density_diffrn    6.333
_exptl_crystal_density_meas      6.29
_exptl_crystal_F_000             508
_pd_proc_ls_prof_R_factor        0.095
_pd_proc_ls_prof_wR_expected     0.045
_pd_proc_ls_prof_wR_factor       0.126
_refine_ls_number_parameters     20
_refine_ls_number_reflns         272
_refine_ls_R_I_factor            0.045
_cod_data_source_file            EJSSIC-1993-30-1063-1073.cif
_cod_data_source_block           Cd4F6O
_cod_depositor_comments
;
Rietveld refinement, software ARIT4
;
_cod_original_cell_volume        303.99(9)
_cod_original_sg_symbol_H-M      'P 42/n m c'
_cod_database_code               4030609
Crystal structure of copper hydroxynitrite Cu2(OH)3(NO2)
Riou, A.; Rochdi, K.; Cudennec, Y.; Gerault, Y.; Lecerf, A.; European Journal of Solid State and Inorganic Chemistry 30 (1993) 1143–1152; doi:

data_4030610
_publ_section_title
;
 Crystal structure of copper hydroxynitrite Cu2(OH)3(NO2)
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              1143
_journal_page_last               1152
_journal_volume                  30
_journal_year                    1993
_chemical_formula_sum            'Cu2 H3 N O5'
_chemical_formula_weight         224.12
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.07(6)
_cell_angle_beta                 95.43(4)
_cell_angle_gamma                89.99(6)
_cell_formula_units_Z            2
_cell_length_a                   5.609(3)
_cell_length_b                   6.039(6)
_cell_length_c                   6.622(3)
_cell_volume                     223.3(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    9.4816
_exptl_crystal_density_diffrn    3.334
_exptl_crystal_density_meas      3.3
_exptl_crystal_F_000             216
_refine_ls_number_parameters     86
_refine_ls_number_reflns         732
_refine_ls_R_factor_gt           0.044
_refine_ls_wR_factor_gt          0.062
_cod_data_source_file            EJSSIC-1993-30-1143-1152.cif
_cod_data_source_block           Cu2(OH)3(NO2)
_cod_original_formula_sum        'H3 Cu2 N O5'
_cod_database_code               4030610
Cu-Deficiency in thep-Type Semiconductor Cu5‒xTa11O30: Impact on Its Crystalline Structure, Surfaces, and Photoelectrochemical Properties
Sullivan, Ian; Sahoo, Prangya P.; Fuoco, Lindsay; Hewitt, Andrew S.; Stuart, Sean; Dougherty, Daniel; Maggard, Paul A.; Chemistry of Materials 26 (2014) 6711–; doi:10.1021/cm502891t

data_4002170
_publ_section_title
;
 Cu-Deficiency in thep-Type Semiconductor Cu5--xTa11O30: Impact on Its
 Crystalline Structure, Surfaces, and Photoelectrochemical Properties
;
_journal_issue                   23
_journal_name_full               'Chemistry of Materials'
_journal_page_first              6711
_journal_paper_doi               10.1021/cm502891t
_journal_volume                  26
_journal_year                    2014
_chemical_formula_sum            'Cu3.2 O30 Ta11'
_chemical_formula_weight         2673.1
_chemical_name_systematic        ' ?'
_space_group_IT_number           190
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.2359(2)
_cell_length_b                   6.2359(2)
_cell_length_c                   32.2139(5)
_cell_measurement_temperature    298
_cell_volume                     1084.86(5)
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'Philips X-pert'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54187
_exptl_absorpt_coefficient_mu    103.251
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_density_diffrn    8.184
_exptl_crystal_F_000             2271
_pd_char_colour                  black
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.017
_pd_meas_2theta_range_max        109.986
_pd_meas_2theta_range_min        5.028
_pd_meas_number_of_points        6175
_pd_proc_2theta_range_inc        0.017
_pd_proc_2theta_range_max        109.986
_pd_proc_2theta_range_min        5.028
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0358
_pd_proc_ls_prof_wR_expected     0.0261
_pd_proc_ls_prof_wR_factor       0.0492
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.88
_refine_ls_number_parameters     51
_refine_ls_R_factor_all          0.0396
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.0376
_refine_ls_shift/su_mean         0.0061
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0256
_refine_ls_wR_factor_ref         0.0256
_cod_data_source_file            cm502891t_si_002.cif
_cod_data_source_block           Cu5Ta11O30
_cod_original_cell_volume        1084.86(8)
_cod_database_code               4002170
Crystal structure determination of the nitridophosphate Na3AlP3O9N
Conanec, R.; L Haridon, P.; Feldmann, W.; Marchand, R.; Laurent, Y.; European Journal of Solid State and Inorganic Chemistry 31 (1994) 13–24; doi:

data_4030614
_publ_section_title
;
 Crystal structure determination of the nitridophosphate Na3AlP3O9N
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              13
_journal_page_last               24
_journal_volume                  31
_journal_year                    1994
_chemical_formula_sum            'Al N Na3 O9 P3'
_chemical_formula_weight         346.87
_space_group_IT_number           198
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.274(1)
_cell_length_b                   9.274(1)
_cell_length_c                   9.274(1)
_cell_volume                     797.63(15)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    1.063
_exptl_crystal_density_diffrn    2.888
_exptl_crystal_F_000             680
_refine_ls_number_parameters     62
_refine_ls_number_reflns         562
_refine_ls_R_factor_gt           0.0137
_refine_ls_wR_factor_gt          0.0199
_cod_data_source_file            EJSSIC-1994-31-13-24.cif
_cod_data_source_block           Na3AlP3O9N
_cod_original_cell_volume        797.6(3)
_cod_database_code               4030614