LMucko/crystallography-open-database huggingface dataset:
The Crystal Structure of Ammonium Cadmium Chloride, N H4 Cd Cl3 _cod_database_code 1010376
Brasseur, H.; Pauling, L.; Journal of the American Chemical Society 60 (1938) 2886–2890; doi:10.1021/ja01279a016

data_9014544
_publ_section_title
;
 The Crystal Structure of Ammonium Cadmium Chloride, N H4 Cd Cl3
 _cod_database_code 1010376
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2886
_journal_page_last               2890
_journal_paper_doi               10.1021/ja01279a016
_journal_volume                  60
_journal_year                    1938
_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                   8.96
_cell_length_b                   14.87
_cell_length_c                   3.97
_cell_formula_units_Z            4
_cell_volume                     528.944
_database_code_amcsd             0017302
_exptl_crystal_density_diffrn    2.923
_cod_duplicate_entry             1010376
_cod_database_code               9014544
_amcsd_formula_title             'Cd Cl3 H4 N'
Hydrogen-bond studies. LXXXIV. An X-ray diffraction study of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K Note: T = 298 K
Thomas, J. O.; Tellgren, R.; Olovsson, I.; Acta Crystallographica, Section B 30 (1974) 1155–1166; doi:10.1107/S0567740874004481

data_9014545
_publ_section_title
;
 Hydrogen-bond studies. LXXXIV. An X-ray diffraction study
 of the structures of KHCO3 and KDCO3 at 298, 219 and 95 K
 Note: T = 298 K
;
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1155
_journal_page_last               1166
_journal_paper_doi               10.1107/S0567740874004481
_journal_volume                  30
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C H K O3'
_chemical_name_mineral           Kalicinite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.631
_cell_angle_gamma                90
_cell_length_a                   15.1725
_cell_length_b                   5.6283
_cell_length_c                   3.7110
_cell_formula_units_Z            4
_cell_volume                     306.626
_database_code_amcsd             0018502
_exptl_crystal_density_diffrn    2.169
_cod_original_formula_sum        'K H C O3'
_cod_database_code               9014545
Synthesis, crystal growth, structural determination, and optical absorption spectroscopy of the magnetoplumbite type compound LaNiAl11O19 _cod_database_code 1001680
Laville, F.; Perrin, M.; Lejus, A.; Gasperin, M.; Moncorge, R.; Vivien, D.; Journal of Solid State Chemistry 65 (1986) 301–308; doi:10.1016/0022-4596(86)90102-7

data_9014546
_publ_section_title
;
 Synthesis, crystal growth, structural determination, and optical
 absorption spectroscopy of the magnetoplumbite type compound LaNiAl11O19
 _cod_database_code 1001680
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              301
_journal_page_last               308
_journal_paper_doi               10.1016/0022-4596(86)90102-7
_journal_volume                  65
_journal_year                    1986
_chemical_formula_sum            'Al11.01 La Ni0.99 O19'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.57
_cell_length_b                   5.57
_cell_length_c                   22.00999
_cell_formula_units_Z            2
_cell_volume                     591.372
_database_code_amcsd             0013587
_exptl_crystal_density_diffrn    4.482
_cod_duplicate_entry             1001680
_cod_original_formula_sum        'La Al11.01 O19 Ni.99'
_cod_database_code               9014546
_amcsd_formula_title             'Al11 La Ni O19'
Refining the crystallographic structure of celadonite
Tsipurskij, S. I.; Drits, V. A.; Mineralogiceskij Zhurnal 8 (1986) 32–40; doi:

data_9014547
_publ_section_title
;
 Refining the crystallographic structure of celadonite
;
_journal_name_full               'Mineralogiceskij Zhurnal'
_journal_page_first              32
_journal_page_last               40
_journal_volume                  8
_journal_year                    1986
_chemical_formula_sum            'Fe1.22 H2 K Mg0.78 O12 Si4'
_chemical_name_mineral           Celadonite
_space_group_IT_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                 100.43
_cell_angle_gamma                90
_cell_length_a                   5.223
_cell_length_b                   9.047
_cell_length_c                   10.197
_cell_formula_units_Z            2
_cell_volume                     473.872
_database_code_amcsd             0019223
_exptl_crystal_density_diffrn    3.031
_cod_original_formula_sum        'K (Fe1.22 Mg.78) Si4 O12 H2'
_cod_database_code               9014547
Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C Annealing time = 21 min
Princivalle, F.; Martignago, F.; Nestola, F.; Dal Negro, A.; European Journal of Mineralogy 24 (2012) 633–643; doi:10.1127/0935-1221/2012/0024-2223

data_9014548
_publ_section_title
;
 Kinetics of cation ordering in synthetic Mg(Al,Fe3+)2O4 spinels
 Note Sample F54, disordered at 1000 C for 24 h, then ordered at 650 C
 Annealing time = 21 min
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              633
_journal_page_last               643
_journal_paper_doi               10.1127/0935-1221/2012/0024-2223
_journal_volume                  24
_journal_year                    2012
_chemical_formula_sum            'Al1.458 Fe0.541 Mg1.001 O4'
_chemical_name_mineral           Spinel
_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                   8.1697
_cell_length_b                   8.1697
_cell_length_c                   8.1697
_cell_formula_units_Z            8
_cell_volume                     545.278
_database_code_amcsd             0019326
_exptl_crystal_density_diffrn    3.846
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Al1.458 Mg1.001 Fe.541) O4'
_cod_database_code               9014548
Structure of capillarisin _cod_database_code 1500001
Steward, D. J.; Knop, O.; Ayasse, C.; Woodhams, F. W. D.; Canadian Journal of Chemistry 50 (1972) 690–700; doi:10.1139/v72-106

data_9014549
_publ_section_title
;
 Structure of capillarisin
 _cod_database_code 1500001
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              690
_journal_page_last               700
_journal_paper_doi               10.1139/v72-106
_journal_volume                  50
_journal_year                    1972
_chemical_formula_sum            'O6.5 Sb3'
_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                   10.303
_cell_length_b                   10.303
_cell_length_c                   10.303
_cell_formula_units_Z            8
_cell_volume                     1093.682
_database_code_amcsd             0018293
_exptl_crystal_density_diffrn    5.700
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Sb3 O6.5'
_cod_database_code               9014549
_amcsd_formula_title             Sb6O13
_cod_duplicate_entry 1500001
Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A Comparison with Antiferromagnetic Ba La Zn Ru O6 _cod_database_code 1001397
Battle, P.; Gibb, T.; Jones, C.; Studer, F.; Journal of Solid State Chemistry 78 (1989) 281–293; doi:10.1016/0022-4596(89)90109-6

data_9014550
_publ_section_title
;
 Spin-Glass Behavior in Sr2 Fe Ru O6 and Ba La Ni Ru O6: A
 Comparison with Antiferromagnetic Ba La Zn Ru O6
 _cod_database_code 1001397
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              281
_journal_page_last               293
_journal_paper_doi               10.1016/0022-4596(89)90109-6
_journal_volume                  78
_journal_year                    1989
_chemical_formula_sum            'Ba0.5 La0.5 O3 Ru0.5 Zn0.5'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.10
_cell_angle_gamma                90
_cell_length_a                   5.6479
_cell_length_b                   5.6672
_cell_length_c                   7.9859
_cell_formula_units_Z            4
_cell_volume                     255.611
_database_code_amcsd             0013638
_exptl_crystal_density_diffrn    6.999
_cod_duplicate_entry             1001397
_cod_original_formula_sum        '(Ba.5 La.5) (Zn.5 Ru.5) O3'
_cod_database_code               9014550
_amcsd_formula_title             'Ba La O6 Ru Zn'
Structural studies of the aeschynite-euxenite transformation in the series Ln(TiTa)O6 Ln = lanthanide
Thorogood, G. J.; Avdeev, M.; Kennedy, B. J.; Solid State Sciences 12 (2010) 1263–1269; doi:10.1016/j.solidstatesciences.2010.02.036

data_9014551
_publ_section_title
;
 Structural studies of the aeschynite-euxenite transformation in
 the series Ln(TiTa)O6 Ln = lanthanide
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              1263
_journal_page_last               1269
_journal_paper_doi               10.1016/j.solidstatesciences.2010.02.036
_journal_volume                  12
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Lu O6 Ta Ti'
_chemical_name_mineral           Tanteuxenite-(Lu)
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.5288
_cell_length_b                   5.5226
_cell_length_c                   5.1572
_cell_formula_units_Z            4
_cell_volume                     413.797
_database_code_amcsd             0018931
_exptl_crystal_density_diffrn    8.023
_cod_original_formula_sum        'Lu (Ti Ta) O6'
_cod_database_code               9014551
From structure topology to chemical composition. XII. Titanium silicates: the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3 Note: sample 3471
Camara, F.; Sokolova, E.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 2755–2774; doi:10.1180/minmag.2011.075.6.2755

data_9014552
_publ_section_title
;
 From structure topology to chemical composition. XII. Titanium silicates:
 the crystal chemistry of rinkite, Na2Ca4REETi(Si2O7)2OF3
 Note: sample 3471
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2755
_journal_page_last               2774
_journal_paper_doi               10.1180/minmag.2011.075.6.2755
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Takhtarvumchorr Mt., Khibiny, Kola, Russia'
_chemical_formula_sum
'Ba0.02 Ca3.78 Ce0.36 F2.98 Gd0.02 La0.12 Mn0.02 Na2.04 Nb0.14 Nd0.18 O15.02 Pr0.04 Si4 Sm0.02 Sr0.24 Ti0.85 Y0.06 Zr0.01'
_chemical_name_mineral           Rinkite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.424
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.424
_cell_length_b                   5.7083
_cell_length_c                   18.941
_cell_volume                     786.787
_database_code_amcsd             0018565
_exptl_crystal_density_diffrn    3.366
_cod_original_formula_sum
'Ca3.78 Gd.02 Sm.02 Nd.18 Pr.04 Ce.36 La.12 Y.06 Sr.24 Ba.02 (Ti.85 Nb.14 Zr.01) Na2.04 Mn.02 Si4 O15.02 F2.98'
_cod_database_code               9014552
Nouveaux oxydes a structure en feuillets: Les titanates de potassium non-stoechiometriques KX (MY Ti2-Y) O4 _cod_database_code 1001129
Groult, D.; Mercey, C.; Raveau, B.; Journal of Solid State Chemistry 32 (1980) 289–296; doi:10.1016/S0022-4596(80)80022-3

data_9014553
_publ_section_title
;
 Nouveaux oxydes a structure en feuillets: Les titanates de potassium
 non-stoechiometriques KX (MY Ti2-Y) O4
 _cod_database_code 1001129
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              289
_journal_page_last               296
_journal_paper_doi               10.1016/S0022-4596(80)80022-3
_journal_volume                  32
_journal_year                    1980
_chemical_formula_sum            'K0.4 Mg0.2 O2 Ti0.8'
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.8207
_cell_length_b                   15.641
_cell_length_c                   2.9814
_cell_formula_units_Z            4
_cell_volume                     178.167
_database_code_amcsd             0013383
_exptl_crystal_density_diffrn    3.385
_cod_duplicate_entry             1001129
_cod_original_formula_sum        'K.4 (Mg.2 Ti.8) O2'
_cod_database_code               9014553
_amcsd_formula_title             'K0.8 Mg0.4 O4 Ti1.6'
Etude des proprietes structurales et electriques de la solution solide Pb1-x Bix Ox F2-x _cod_database_code 1008295
Soubeyroux, J.; Matar, S.; Reau, J.; Hagenmuller, P.; Solid State Ionics 14 (1984) 337–345; doi:10.1016/0167-2738(84)90118-8

data_9014554
_publ_section_title
;
 Etude des proprietes structurales et electriques de la solution solide
 Pb1-x Bix Ox F2-x
 _cod_database_code 1008295
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              337
_journal_page_last               345
_journal_paper_doi               10.1016/0167-2738(84)90118-8
_journal_volume                  14
_journal_year                    1984
_chemical_formula_sum            'Bi0.3 F1.692 O0.3 Pb0.7'
_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                   5.8977
_cell_length_b                   5.8977
_cell_length_c                   5.8977
_cell_formula_units_Z            4
_cell_volume                     205.139
_database_code_amcsd             0016217
_exptl_crystal_density_diffrn    7.922
_cod_duplicate_entry             1008295
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb.7 Bi.3 O.3 F1.692'
_cod_database_code               9014554
_amcsd_formula_title             'Bi0.3 F1.7 O0.3 Pb0.7'
Ba Cd2 Cl6 (H2 O)5. A pyrochlore with 16(d) and 32(e) positions both fully occupied _cod_database_code 1001357
Ledesert, M.; Raveau, B.; Journal of Solid State Chemistry 67 (1987) 340–345; doi:10.1016/0022-4596(87)90372-0

data_9014555
_publ_section_title
;
 Ba Cd2 Cl6 (H2 O)5. A pyrochlore with 16(d) and 32(e) positions
 both fully occupied
 _cod_database_code 1001357
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              340
_journal_page_last               345
_journal_paper_doi               10.1016/0022-4596(87)90372-0
_journal_volume                  67
_journal_year                    1987
_chemical_formula_sum            'Ba0.5 Cd Cl3 O2.5'
_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                   13.797
_cell_length_b                   13.797
_cell_length_c                   13.797
_cell_formula_units_Z            16
_cell_volume                     2626.358
_database_code_amcsd             0013599
_exptl_crystal_density_diffrn    3.312
_cod_duplicate_entry             1001357
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ba.5 O2.5 Cd Cl3'
_cod_database_code               9014555
_amcsd_formula_title             'Ba Cd2 Cl6 H10 O5'
Structural basis for the anomalous low-temperature thermal expansion behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Sample: T = 100 K
Knight, K. S.; Henderson, C. M. B.; European Journal of Mineralogy 19 (2007) 189–200; doi:10.1127/0935-1221/2007/0019-1711

data_9014556
_publ_section_title
;
 Structural basis for the anomalous low-temperature thermal expansion
 behavior of the gillespite-structured phase Ba0.5Sr0.5CuSi4O10
 Sample: T = 100 K
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              189
_journal_page_last               200
_journal_paper_doi               10.1127/0935-1221/2007/0019-1711
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ba0.5 Cu O10 Si4 Sr0.5'
_chemical_name_mineral           Wesselsite
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.39533
_cell_length_b                   7.39533
_cell_length_c                   15.8482
_cell_formula_units_Z            4
_cell_volume                     866.752
_database_code_amcsd             0007210
_exptl_crystal_density_diffrn    3.436
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        '(Ba.5 Sr.5) Cu Si4 O10'
_cod_database_code               9014556
_cod_duplicate_entry 9014206
Synthesis and characterization of mixed fluorides with PbF2 and ScF3
Achary, S. N.; Tyagi, A. K.; Powder Diffraction 20 (2005) 254–258; doi:10.1154/1.1948391

data_9014557
_publ_section_title
;
 Synthesis and characterization of mixed fluorides with PbF2 and ScF3
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              254
_journal_page_last               258
_journal_paper_doi               10.1154/1.1948391
_journal_volume                  20
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F2 Pb'
_chemical_name_mineral           Fluorocronite
_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                   5.9397
_cell_length_b                   5.9397
_cell_length_c                   5.9397
_cell_formula_units_Z            4
_cell_volume                     209.553
_database_code_amcsd             0018631
_exptl_crystal_density_diffrn    7.772
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Pb F2'
_cod_database_code               9014557
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: DL5 P = 4.54 GPa
Comopdi, P.; Boffa Ballaran, T.; Zanazzi, P. F.; Capalbo, C.; Zanetti, A.; Nazzareni, S.; American Mineralogist 95 (2010) 1042–1051; doi:10.2138/am.2010.3429

data_9014558
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: DL5 P = 4.54 GPa
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1042
_journal_page_last               1051
_journal_paper_doi               10.2138/am.2010.3429
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'an alkaline basalt of Deadman Lake Volcanic Area, USA'
_chemical_formula_sum            'Ca1.88 Fe1.91 H2 K0.54 Mg3.19 O24 Si8'
_chemical_name_mineral           Kaersutite
_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                90.00
_cell_angle_beta                 105.85
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.710
_cell_length_b                   17.833
_cell_length_c                   5.253
_cell_volume                     875.018
_database_code_amcsd             0005070
_exptl_crystal_density_diffrn    3.383
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_original_formula_sum        'Si8 Mg3.19 Fe1.91 Ca1.88 K.54 O24 H2'
_cod_database_code               9014558
Spinelle mit substituierten Nichtmetallteilgittern. IV. Roentgenographische Untersuchung der Systeme CuCr2(S11-xSex)4 und CuCr3(Se1-xTex)4
Riedel, E.; Horvath, E.; Zeitschrift fur Anorganische und Allgemeine Chemie 399 (1973) 219–224; doi:10.1002/zaac.19733990212

data_9014559
_publ_section_title
;
 Spinelle mit substituierten Nichtmetallteilgittern. IV. Roentgenographische
 Untersuchung der Systeme CuCr2(S11-xSex)4 und CuCr3(Se1-xTex)4
;
_journal_name_full
'Zeitschrift fur Anorganische und Allgemeine Chemie'
_journal_page_first              219
_journal_page_last               224
_journal_paper_doi               10.1002/zaac.19733990212
_journal_volume                  399
_journal_year                    1973
_chemical_formula_sum            'Cr2 Cu S4'
_chemical_name_mineral           Cuprokalininite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.82
_cell_length_b                   9.82
_cell_length_c                   9.82
_cell_formula_units_Z            8
_cell_volume                     946.966
_database_code_amcsd             0018335
_exptl_crystal_density_diffrn    4.150
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Cu Cr2 S4'
_cod_database_code               9014559