LMucko/crystallography-open-database huggingface dataset:
Structural stability of Fe5Si3 and Ni2Si studied by high-pressure X-ray diffraction and ab initio total-energy calculations
Errandonea, D.; Santamaría-Pérez D; Vegas, A.; Nuss, J.; Jansen, M.; Rodríguez-Hernández P; Muñoz, A.; Physical Review B - Condensed Matter 77 (2008) 094113–1-094113-12; doi:10.1103/PhysRevB.77.094113

data_9014528
_publ_section_title
;
 Structural stability of Fe5Si3 and Ni2Si studied by high-pressure
 X-ray diffraction and ab initio total-energy calculations
;
_journal_name_full               'Physical Review B - Condensed Matter'
_journal_page_first              094113
_journal_page_last               1-094113-12
_journal_paper_doi               10.1103/PhysRevB.77.094113
_journal_volume                  77
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe2 Si'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.052
_cell_length_b                   4.052
_cell_length_c                   5.085
_cell_formula_units_Z            2
_cell_volume                     72.304
_database_code_amcsd             0019682
_exptl_crystal_density_diffrn    6.420
_cod_database_code               9014528
_amcsd_formula_title             Fe2Si
Distinct domains in "guarinite" from Monte Somma, Italy: Crystal structures and crystal chemistry Note: "Guarinite" Domain IV
Bellezza, M.; Merlino, S.; Perchiazzi, N.; The Canadian Mineralogist 50 (2012) 531–548; doi:10.3749/canmin.50.2.531

data_9014529
_publ_section_title
;
 Distinct domains in "guarinite" from Monte Somma, Italy:
 Crystal structures and crystal chemistry
 Note: "Guarinite" Domain IV
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              531
_journal_page_last               548
_journal_paper_doi               10.3749/canmin.50.2.531
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source        'Monte Somma syenite, Italy'
_chemical_formula_sum            'Ca4.52 F3 Mn0.41 Na1.88 O15 Si4 Zr1.19'
_chemical_name_mineral           Hiortdahlite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.63
_cell_angle_beta                 109.65
_cell_angle_gamma                83.39
_cell_length_a                   10.970
_cell_length_b                   10.943
_cell_length_c                   7.365
_cell_formula_units_Z            2
_cell_volume                     784.247
_database_code_amcsd             0019218
_exptl_crystal_density_diffrn    3.239
_cod_original_formula_sum        'Ca4.52 Na1.88 Zr1.19 Mn.41 Si4 O15 F3'
_cod_database_code               9014529
Die Krystallstruktur von N H4 Cd Cl3 und Rb Cd Cl3 _cod_database_code 1010002
MacGillavry, C.; Nijveld, H.; Dierdorp, S.; Karsten, J.; Recueil des Travaux Chimiques des Pays-Bas et de la Belgique 58 (1939) 193–200; doi:

data_9014530
_publ_section_title
;
 Die Krystallstruktur von N H4 Cd Cl3 und Rb Cd Cl3
 _cod_database_code 1010002
;
_journal_name_full
'Recueil des Travaux Chimiques des Pays-Bas et de la Belgique'
_journal_page_first              193
_journal_page_last               200
_journal_volume                  58
_journal_year                    1939
_chemical_formula_sum            'Cd Cl3 N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.
_cell_length_b                   14.9
_cell_length_c                   3.96
_cell_formula_units_Z            4
_cell_volume                     531.036
_database_code_amcsd             0016938
_exptl_crystal_density_diffrn    2.912
_cod_duplicate_entry             1010002
_cod_database_code               9014530
_amcsd_formula_title             'Cd Cl3 H4 N'
A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x system: synthesis, crystal chemistry, and energetics Note: x = 0.1
Xu, H.; Su, Y.; Balmer, M. L.; Navrotsky, A.; Chemistry of Materials 15 (2003) 1872–1878; doi:10.1021/cm020963s

data_9014531
_publ_section_title
;
 A new series of oxygen-deficient perovskites in the NaTixNb1-xO3-.05x
 system: synthesis, crystal chemistry, and energetics
 Note: x = 0.1
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              1872
_journal_page_last               1878
_journal_paper_doi               10.1021/cm020963s
_journal_volume                  15
_journal_year                    2003
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Na Nb0.9 O2.95 Ti0.1'
_chemical_name_mineral           Lueshite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.5428
_cell_length_b                   15.5632
_cell_length_c                   5.5094
_cell_formula_units_Z            8
_cell_volume                     475.261
_database_code_amcsd             0018689
_exptl_crystal_density_diffrn    4.433
_cod_original_formula_sum        'Na (Nb.9 Ti.1) O2.95'
_cod_database_code               9014531
A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3
Grey, I. E.; Madsen, I. C.; Mills, S. J.; Hatert, F.; Peterson, V. K.; Bastow, T. J.; American Mineralogist 95 (2010) 639–645; doi:10.2138/am.2010.3377

data_9014532
_publ_section_title
;
 A new type of cubic-stacked layer structure in anthoinite, AlWO3(OH)3
;
_journal_name_full               'American Mineralogist'
_journal_page_first              639
_journal_page_last               645
_journal_paper_doi               10.2138/am.2010.3377
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'Mt Misobo Mine, Democratic Republic of the Congo'
_chemical_formula_sum            'Al1.04 H3.2 O6 W0.96'
_chemical_name_mineral           Anthoinite
_space_group_IT_number           2
_symmetry_space_group_name_Hall
'-P 1 (-1/2*x+1/2*y+1/2*z,1/2*x-1/2*y+1/2*z,1/2*x+1/2*y-1/2*z)'
_symmetry_space_group_name_H-M   'I -1'
_cell_angle_alpha                92.82
_cell_angle_beta                 94.08
_cell_angle_gamma                90.23
_cell_length_a                   8.196
_cell_length_b                   9.187
_cell_length_c                   11.316
_cell_formula_units_Z            8
_cell_volume                     848.844
_database_code_amcsd             0018557
_exptl_crystal_density_diffrn    4.754
_cod_original_formula_sum        '(Al1.04 W.96) O6 H3.2'
_cod_database_code               9014532
Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar. I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy Sample: L6, disordered model
Lussier, A. J.; Abdu, Y.; Hawthorne, F. C.; Michaelis, V. K.; Aguiar, P. M.; Kroeker, S.; The Canadian Mineralogist 49 (2011) 63–88; doi:10.3749/canmin.49.1.63

data_9014533
_publ_section_title
;
 Oscillatory zoned liddicoatite from Anjanabonoina, central Madigascar.
 I. Crystal chemistry and structure by SREF and 11B and 27Al MAS NMR spectroscopy
 Sample: L6, disordered model
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              63
_journal_page_last               88
_journal_paper_doi               10.3749/canmin.49.1.63
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Anjanabonoina, central Madagascar'
_chemical_formula_sum
'Al7.194 B3 Ca0.641 F0.696 Fe0.021 H3.303 Li1.605 Mn0.18 Na0.288 O30.303 Pb0.023 Si6'
_chemical_name_mineral           Fluor-liddicoatite
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   15.8418
_cell_length_b                   15.8418
_cell_length_c                   7.1044
_cell_formula_units_Z            3
_cell_volume                     1544.070
_database_code_amcsd             0018415
_exptl_crystal_density_diffrn    3.083
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.641 Na.288 Pb.023 Al7.194 Fe.021 Mn.18 Li1.605 Si6 B3 F.696 O30.303 H3.303'
_cod_database_code               9014533
High-pressure study of a natural cancrinite Note: P = 0.76 GPa
Lotti, P.; Gatta, G. D.; Rotiroti, N.; Camara, F.; American Mineralogist 97 (2012) 872–882; doi:10.2138/am.2012.4039

data_9014534
_publ_section_title
;
 High-pressure study of a natural cancrinite
 Note: P = 0.76 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              872
_journal_page_last               882
_journal_paper_doi               10.2138/am.2012.4039
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Cameroun
_chemical_formula_sum            'C0.88 H2 Al3 Ca0.438 Na3.522 O15.64 Si3'
_chemical_name_mineral           Cancrinite
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   12.580
_cell_length_b                   12.580
_cell_length_c                   5.058
_cell_volume                     693.219
_database_code_amcsd             0019026
_exptl_crystal_density_diffrn    2.523
_cod_original_formula_sum        'Si3 Al3 O15.64 Na3.522 Ca.438 C.88 H2'
_cod_database_code               9014534
Re-investigation of the crystal structure of enstatite under high-pressure conditions Note: P = 6.57(5) GPa
Periotto, B.; Balic-Zunic T; Nestola, F.; Katerinopoulou, A.; Angel, R. J.; American Mineralogist 97 (2012) 1741–1748; doi:10.2138/am.2012.4157

data_9014535
_publ_section_title
;
 Re-investigation of the crystal structure of enstatite under high-pressure conditions
 Note: P = 6.57(5) GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1741
_journal_page_last               1748
_journal_paper_doi               10.2138/am.2012.4157
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg O3 Si'
_chemical_name_mineral           Enstatite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.982
_cell_length_b                   8.633
_cell_length_c                   5.0926
_cell_formula_units_Z            16
_cell_volume                     790.568
_database_code_amcsd             0019521
_exptl_crystal_density_diffrn    3.374
_cod_original_formula_sum        'Mg Si O3'
_cod_database_code               9014535
Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16 _cod_database_code 1007244
Averbuch-Pouchot M; Durif, A.; Guitel, J.; Journal of Solid State Chemistry 36 (1981) 381–384; doi:10.1016/0022-4596(81)90450-3

data_9014536
_publ_section_title
;
 Crystal structure of an ammonium phospho-chromate: (N H4)3 P Cr4 O16
 _cod_database_code 1007244
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              381
_journal_page_last               384
_journal_paper_doi               10.1016/0022-4596(81)90450-3
_journal_volume                  36
_journal_year                    1981
_chemical_formula_sum            'Cr4 N3 O16 P'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'R 3 -2"'
_symmetry_space_group_name_H-M   'R 3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   12.033
_cell_length_b                   12.033
_cell_length_c                   10.032
_cell_formula_units_Z            3
_cell_volume                     1257.958
_database_code_amcsd             0015926
_exptl_crystal_density_diffrn    2.126
_cod_duplicate_entry             1007244
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Cr4 P O16 N3'
_cod_database_code               9014536
_amcsd_formula_title             'Cr4 H12 N3 O16 P'
Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O Note: at room T after heating to T = 736 K
Ye, Y.; Brown, D. A.; Smyth, J. R.; Panero, W. R.; Jacobsen, S. D.; Chang, Y. Y.; Townsend, J. P.; Thomas, S. M.; Hauri, E. H.; Dera, P.; Frost, D. J.; American Mineralogist 97 (2012) 573–582; doi:10.2138/am.2012.4010

data_9014537
_publ_section_title
;
 Compressibility and thermal expansion of hydrous ringwoodite with 2.5(3) wt% H2O
 Note: at room T after heating to T = 736 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              573
_journal_page_last               582
_journal_paper_doi               10.2138/am.2012.4010
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mg1.84 O4 Si0.91'
_chemical_name_mineral           Ringwoodite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.1115
_cell_length_b                   8.1115
_cell_length_c                   8.1115
_cell_formula_units_Z            8
_cell_volume                     533.708
_database_code_amcsd             0018839
_exptl_crystal_density_diffrn    3.342
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Mg1.84 Si.91 O4'
_cod_database_code               9014537
Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral from the Aris phonolite, Namibia Note: the chemical formula for this mineral cannot be obtained from the crystal structure. The structure is missing two oxygens, and the OH positions were not given.
Chukanov, N. V.; Britvin, S. N.; Blass, G.; Belakovskiy, D. I.; Van, K. V.; European Journal of Mineralogy 24 (2012) 171–179; doi:10.1127/0935-1221/2011/0023-2161

data_9014538
_publ_section_title
;
 Windhoekite, Ca2Fe3+3-x(Si8O20)(OH)4*10H2O, a new palygorskite-group mineral
 from the Aris phonolite, Namibia
 Note: the chemical formula for this mineral cannot be obtained from the
 crystal structure. The structure is missing two oxygens, and
 the OH positions were not given.
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              171
_journal_page_last               179
_journal_paper_doi               10.1127/0935-1221/2011/0023-2161
_journal_volume                  24
_journal_year                    2012
_chemical_compound_source        'Aris phonolite, Namibia'
_chemical_formula_sum            'Ca1.98 Fe2.76 H20 Mn0.14 O32 Si8'
_chemical_name_mineral           Windhoekite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.5
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.319
_cell_length_b                   17.825
_cell_length_c                   5.242
_cell_volume                     1300.980
_database_code_amcsd             0018919
_exptl_crystal_density_diffrn    2.548
_cod_original_formula_sum        'Ca1.98 Mn.14 Fe2.76 Si8 O32 H20'
_cod_database_code               9014538
Donnees cristallochimiques sur deux nouveaux diphosphates mixtes, Ca NH4 Na P2O7 (H2O)3 et Cd NH4 Na P2O7 (H2O)3 et structure cristalline de Cd NH4 Na P2O7 (H2O)3
Averbuch-Pouchot M; Guitel, J.; Acta Crystallographica, Section B 33 (1977) 3460–3462; doi:10.1107/S0567740877011194

data_9014539
_publ_section_title
;
 Donnees cristallochimiques sur deux nouveaux diphosphates mixtes,
 Ca NH4 Na P2O7 (H2O)3 et Cd NH4 Na P2O7 (H2O)3
 et structure cristalline de Cd NH4 Na P2O7 (H2O)3
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              3460
_journal_page_last               3462
_journal_paper_doi               10.1107/S0567740877011194
_journal_volume                  33
_journal_year                    1977
_chemical_formula_sum            'Cd N Na O10 P2'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.73
_cell_angle_gamma                90
_cell_length_a                   10.211
_cell_length_b                   16.56
_cell_length_c                   5.632
_cell_formula_units_Z            4
_cell_volume                     925.125
_database_code_amcsd             0015967
_exptl_crystal_density_diffrn    2.666
_cod_duplicate_entry             1008019
_cod_original_formula_sum        'Cd P2 Na N O10'
_cod_database_code               9014539
_amcsd_formula_title             'Cd H10 N Na O10 P2'
Isothermal compression of face-centered cubic iron Note: gamma iron, Sample M620, P = 16.63 GPa, T = 1273 K
Nishihara, Y.; Nakajima, Y.; Akashi, A.; Tsujino, N.; Takahashi, E.; Funakoshi, K.; Higo, Y.; American Mineralogist 97 (2012) 1417–1420; doi:10.2138/am.2012.3958

data_9014540
_publ_section_title
;
 Isothermal compression of face-centered cubic iron
 Note: gamma iron, Sample M620, P = 16.63 GPa, T = 1273 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1417
_journal_page_last               1420
_journal_paper_doi               10.2138/am.2012.3958
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_mineral           Iron
_space_group_IT_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_length_a                   3.527
_cell_length_b                   3.527
_cell_length_c                   3.527
_cell_formula_units_Z            4
_cell_volume                     43.875
_database_code_amcsd             0019435
_exptl_crystal_density_diffrn    8.455
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9014540
The crystal structure of calcirtite; a new derivative structure of CaF2-CeO2 type Note: ideal structure
Pyatenko, Y. A.; Pudovkina, Z. V.; Soviet Physics Crystallography 6 (1961) 155–157; doi:

data_9014541
_publ_section_title
;
 The crystal structure of calcirtite; a new derivative structure of CaF2-CeO2 type
 Note: ideal structure
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              155
_journal_page_last               157
_journal_volume                  6
_journal_year                    1961
_chemical_compound_source
'Gornoe Ozero alkaline-ultrabasic Massif, Yakutia, Russia'
_chemical_formula_sum            'Ca2 O16 Ti2 Zr5'
_chemical_name_mineral           Calcirtite
_space_group_IT_number           142
_symmetry_space_group_name_Hall  'I 4bw 2aw -1bw'
_symmetry_space_group_name_H-M   'I 41/a c d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.30
_cell_length_b                   15.30
_cell_length_c                   10.20
_cell_formula_units_Z            8
_cell_volume                     2387.718
_database_code_amcsd             0019375
_exptl_crystal_density_diffrn    4.941
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_original_formula_sum        'Ca2 Zr5 Ti2 O16'
_cod_database_code               9014541
The heteropolymolybdate family: structural relations, nomenclature scheme and new species
Kampf, A. R.; Mills, S. J.; Rumsey, M. S.; Dini, M.; Birch, W. D.; Spratt, J.; Pluth, J. J.; Steele, I. M.; Jenkins, R. A.; Pinch, W. W.; Mineralogical Magazine 76 (2012) 1175–1207; doi:10.1180/minmag.2012.076.5.09

data_9014542
_publ_section_title
;
 The heteropolymolybdate family: structural relations, nomenclature scheme and new species
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1175
_journal_page_last               1207
_journal_paper_doi               10.1180/minmag.2012.076.5.09
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum
'As2 Ca1.928 Fe3 H48.352 Mg Mo8 Na0.072 O61.176'
_chemical_name_mineral           Betpakdalite-CaMg
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 131.528
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   19.5336
_cell_length_b                   11.0637
_cell_length_c                   15.2559
_cell_volume                     2468.248
_database_code_amcsd             0019591
_exptl_crystal_density_diffrn    2.981
_cod_original_formula_sum        'Ca1.928 Na.072 Mg Mo8 As2 Fe3 O61.176 H48.352'
_cod_database_code               9014542
Crystal structure of Ca12Al14O32Cl2 and luminescence properties of Ca12Al14O32Cl2:Eu2+
Iwata, T.; Haniuda, M.; Fukuda, K.; Journal of Solid State Chemistry 181 (2008) 51–55; doi:10.1016/j.jssc.2007.11.002

data_9014543
_publ_section_title
;
 Crystal structure of Ca12Al14O32Cl2 and luminescence properties
 of Ca12Al14O32Cl2:Eu2+
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              51
_journal_page_last               55
_journal_paper_doi               10.1016/j.jssc.2007.11.002
_journal_volume                  181
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al7 Ca6 Cl O16'
_chemical_name_mineral           Brearleyite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.0095
_cell_length_b                   12.0095
_cell_length_c                   12.0095
_cell_formula_units_Z            4
_cell_volume                     1732.107
_database_code_amcsd             0019192
_exptl_crystal_density_diffrn    2.764
_cod_original_formula_sum        'Ca6 Al7 O16 Cl'
_cod_database_code               9014543