LMucko/crystallography-open-database huggingface dataset:
Compounds with the skutterudite type crystal structure. III. Structural data for arsenides and antimonides,
Kjekshus, A.; Rakke, T.; Acta Chemica Scandinavica A 28 (1974) 99–103; doi:

data_9015123
_publ_section_title
;
 Compounds with the skutterudite type crystal structure.
 III. Structural data for arsenides and antimonides,
;
_journal_name_full               'Acta Chemica Scandinavica A'
_journal_page_first              99
_journal_page_last               103
_journal_volume                  28
_journal_year                    1974
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ir Sb3'
_space_group_IT_number           204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.2533
_cell_length_b                   9.2533
_cell_length_c                   9.2533
_cell_formula_units_Z            8
_cell_volume                     792.300
_database_code_amcsd             0017612
_exptl_crystal_density_diffrn    9.347
_cod_original_sg_symbol_H-M      'I m 3'
_cod_database_code               9015123
_amcsd_formula_title             IrSb3
The effect of oxo-component on the high-pressure behavior of amphiboles Sample: FR12 P = 0.0001 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_9015124
_publ_section_title
;
 The effect of oxo-component on the high-pressure behavior of amphiboles
 Sample: FR12 P = 0.0001 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 the Massif Central, France'
_chemical_formula_sum            'Ca1.784 Fe1.72 K0.1 Mg3.494 Na1.058 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
_cell_angle_beta                 105.380
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.8165
_cell_length_b                   18.0126
_cell_length_c                   5.3002
_cell_volume                     903.623
_database_code_amcsd             0005060
_exptl_crystal_density_diffrn    3.269
_cod_original_formula_sum        'Si8 Fe1.72 Mg3.494 Ca1.784 Na1.058 K.1 O24'
_cod_database_code               9015124
The structure of haradaite and a note on the Si-O bond lengths in silicates
Takeuchi, Y.; Joswig, W.; Mineralogical Journal 5 (1967) 98–123; doi:10.2465/minerj1953.5.98

data_9015125
_publ_section_title
;
 The structure of haradaite and a note on the Si-O bond lengths in silicates
;
_journal_name_full               'Mineralogical Journal'
_journal_page_first              98
_journal_page_last               123
_journal_paper_doi               10.2465/minerj1953.5.98
_journal_volume                  5
_journal_year                    1967
_chemical_compound_source        'Nodatamagawa manganese mine, Iwate, Japan'
_chemical_formula_sum            'O7 Si2 Sr V'
_chemical_name_mineral           Haradaite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-A 2 2a'
_symmetry_space_group_name_H-M   'A m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.06
_cell_length_b                   14.64
_cell_length_c                   5.33
_cell_formula_units_Z            4
_cell_volume                     550.900
_database_code_amcsd             0014413
_exptl_crystal_density_diffrn    3.698
_cod_original_formula_sum        'Sr V Si2 O7'
_cod_database_code               9015125
Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series Sample: CuAl100h
Fregola, R. A.; Bosi, F.; Skogby, H.; Halenius, U.; American Mineralogist 97 (2012) 1821–1827; doi:10.2138/am.2012.4177

data_9015126
_publ_section_title
;
 Cation ordering over short-range and long-range scales
 in the MgAl2O4-CuAl2O4 series
 Sample: CuAl100h
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1821
_journal_page_last               1827
_journal_paper_doi               10.2138/am.2012.4177
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Cu O4'
_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                   8.0793
_cell_length_b                   8.0793
_cell_length_c                   8.0793
_cell_formula_units_Z            8
_cell_volume                     527.377
_database_code_amcsd             0019572
_exptl_crystal_density_diffrn    4.572
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Cu Al2) O4'
_cod_database_code               9015126
_amcsd_formula_title             CuAl2O4
Crystal structure of a new form of Cu3V2O8
Shannon, R. D.; Calvo, C.; Canadian Journal of Chemistry 50 (1972) 3944–3949; doi:10.1139/v72-625

data_9015127
_publ_section_title
;
 Crystal structure of a new form of Cu3V2O8
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              3944
_journal_page_last               3949
_journal_paper_doi               10.1139/v72-625
_journal_volume                  50
_journal_year                    1972
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cu3 O8 V2'
_chemical_name_mineral           Pseudolyonsite
_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                 111.49
_cell_angle_gamma                90
_cell_length_a                   6.2493
_cell_length_b                   7.9936
_cell_length_c                   6.3776
_cell_formula_units_Z            2
_cell_volume                     296.441
_database_code_amcsd             0018360
_exptl_crystal_density_diffrn    4.711
_cod_original_formula_sum        'Cu3 V2 O8'
_cod_database_code               9015127
The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and Oxyfluomolybdate _cod_database_code 1010085
Pauling, L.; Journal of the American Chemical Society 46 (1924) 2738–2751; doi:10.1021/ja01677a019

data_9015128
_publ_section_title
;
 The Crystal Structures of Ammonium Fluoferrate, Fluoaluminate and
 Oxyfluomolybdate
 _cod_database_code 1010085
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2738
_journal_page_last               2751
_journal_paper_doi               10.1021/ja01677a019
_journal_volume                  46
_journal_year                    1924
_chemical_formula_sum            'F6 Fe N3'
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.1
_cell_length_b                   9.1
_cell_length_c                   9.1
_cell_formula_units_Z            4
_cell_volume                     753.571
_database_code_amcsd             0017019
_exptl_crystal_density_diffrn    1.867
_cod_duplicate_entry             1010085
_cod_original_formula_sum        'N3 Fe F6'
_cod_database_code               9015128
_amcsd_formula_title             'F6 Fe H12 N3'
Burovaite-Ca, (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8*12H2O, a new labuntsovite-group mineral species and its place in low-temperature mineral formation in pegmatites of the Khibiny Pluton, Kola Peninsula, Russia
Azarova, Y. V.; Shlyukova, Z. V.; Zolotarev, A. A.; Organova, N. I.; Geology of Ore Deposits 51 (2009) 774–783; doi:10.1134/S1075701509080108

data_9015129
_publ_section_title
;
 Burovaite-Ca, (Na,K)4Ca2(Ti,Nb)8[Si4O12]4(OH,O)8*12H2O, a new labuntsovite-group
 mineral species and its place in low-temperature mineral formation in pegmatites
 of the Khibiny Pluton, Kola Peninsula, Russia
;
_journal_name_full               'Geology of Ore Deposits'
_journal_page_first              774
_journal_page_last               783
_journal_paper_doi               10.1134/S1075701509080108
_journal_volume                  51
_journal_year                    2009
_chemical_compound_source        'Khibiny Pluton, Kola Peninsula, Russia'
_chemical_formula_sum
'Ba0.02 Ca0.88 H12.88 K1.34 Na1.64 Nb1.12 O34.44 Si8 Sr0.04 Ti2.88'
_chemical_name_mineral           Burovaite-Ca
_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                 117.37
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.529
_cell_length_b                   14.203
_cell_length_c                   7.899
_cell_volume                     1447.533
_database_code_amcsd             0018314
_exptl_crystal_density_diffrn    2.667
_cod_original_formula_sum
'Si8 (Ti2.88 Nb1.12) O34.44 Ca.88 K1.34 Ba.02 Na1.64 Sr.04 H12.88'
_cod_database_code               9015129
The crystal structure of U(SO4)2*4H2O
Kierkegaard, P.; Acta Chemica Scandinavica 10 (1956) 599–616; doi:10.3891/acta.chem.scand.10-0599

data_9015130
_publ_section_title
;
 The crystal structure of U(SO4)2*4H2O
;
_journal_name_full               'Acta Chemica Scandinavica'
_journal_page_first              599
_journal_page_last               616
_journal_paper_doi               10.3891/acta.chem.scand.10-0599
_journal_volume                  10
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            'H8 O12 S2 U'
_chemical_name_mineral           Behounekite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.674
_cell_length_b                   11.093
_cell_length_c                   5.688
_cell_volume                     925.885
_database_code_amcsd             0018327
_exptl_crystal_density_diffrn    3.603
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
        Water oxygen atoms renamed so that they are treated as oxygens
                                          miguel
;
_cod_original_formula_sum        'U S2 O12 H8'
_cod_database_code               9015130
Structure of the electrolytical oxide layer on aluminium Note: known as gamma-Al2O3
Verwey, E. J. W.; Zeitschrift fur Kristallographie 91 (1935) 317–320; doi:

data_9015131
_publ_section_title
;
 Structure of the electrolytical oxide layer on aluminium
 Note: known as gamma-Al2O3
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              317
_journal_page_last               320
_journal_volume                  91
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.666 O'
_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                   3.95
_cell_length_b                   3.95
_cell_length_c                   3.95
_cell_formula_units_Z            4
_cell_volume                     61.630
_database_code_amcsd             0010553
_exptl_crystal_density_diffrn    3.661
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Al.666 O'
_cod_database_code               9015131
_amcsd_formula_title             Al2O3
Structure de la forme triclinique du monophosphate acide de baryum
Durif, A.; Guitel, J. C.; Acta Crystallographica, Section B 34 (1978) 1671–1672; doi:10.1107/S0567740878006287

data_9015132
_publ_section_title
;
 Structure de la forme triclinique du monophosphate acide de baryum
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1671
_journal_page_last               1672
_journal_paper_doi               10.1107/S0567740878006287
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'Ba O8 P2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                109.36
_cell_angle_beta                 104.46
_cell_angle_gamma                96.00
_cell_length_a                   8.032
_cell_length_b                   7.013
_cell_length_c                   7.202
_cell_formula_units_Z            2
_cell_volume                     362.740
_database_code_amcsd             0009642
_exptl_crystal_density_diffrn    2.996
_cod_duplicate_entry             1007024
_cod_original_formula_sum        'Ba P2 O8'
_cod_database_code               9015132
_amcsd_formula_title             'Ba H4 O8 P2'
Effects of extra oxygen on the structure and superconductivity of La2-xCaxCuO4+y prepared by chemical oxidation _cod_database_code 1006178
Rial, C.; Moran, E.; Alario-Franco M; Amador, U.; Martinez, J.; Rodriguez-Carvajal J; Andersen, N.; Physica C 297 (1998) 277–293; doi:

data_9015133
_publ_section_title
;
 Effects of extra oxygen on the structure and superconductivity of
 La2-xCaxCuO4+y prepared by chemical oxidation
 _cod_database_code 1006178
;
_journal_name_full               'Physica C'
_journal_page_first              277
_journal_page_last               293
_journal_volume                  297
_journal_year                    1998
_chemical_formula_sum            'Ca0.03 Cu La1.97 O3.99'
_space_group_IT_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_length_a                   5.3336
_cell_length_b                   5.4000
_cell_length_c                   13.1256
_cell_formula_units_Z            4
_cell_volume                     378.036
_database_code_amcsd             0015087
_exptl_crystal_density_diffrn    7.067
_cod_duplicate_entry             1006178
_cod_original_formula_sum        '(La1.97 Ca.03) Cu O3.99'
_cod_database_code               9015133
_amcsd_formula_title             'Ca0.03 Cu La1.97 O4'
Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula Sample: Uvite 52210
Grice, J. D.; Ercit, T. S.; Neues Jahrbuch fur Mineralogie, Abhandlungen 165 (1993) 245–266; doi:

data_9015134
_publ_section_title
;
 Ordering of Fe and Mg in the tourmaline crystal structure: The correct formula
 Sample: Uvite 52210
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              245
_journal_page_last               266
_journal_volume                  165
_journal_year                    1993
_chemical_compound_source        'Gouverneur, St. Lawrence Co., New York, USA'
_chemical_formula_sum
'Al5.46 B3 Ca0.54 F0.62 Fe0.02 H3.33 Li0.006 Mg3.5 Na0.42 O30.38 Si5.99 Ti0.06'
_chemical_name_mineral           Fluor-uvite
_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_formula_units_Z            3
_cell_length_a                   15.973
_cell_length_b                   15.973
_cell_length_c                   7.213
_cell_volume                     1593.748
_database_code_amcsd             0018793
_exptl_crystal_density_diffrn    3.031
_cod_original_cell_volume        1593.747
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Ca.54 Na.42 Mg3.5 Li.006 Fe.02 Al5.46 Ti.06 Si5.99 B3 F.62 O30.38 H3.33'
_cod_database_code               9015134
Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
Biagioni, C.; Merlino, S.; Parodi, G. C.; Perchiazzi, N.; The Canadian Mineralogist 50 (2012) 593–609; doi:10.3749/canmin.50.3.593

data_9015135
_publ_section_title
;
 Crystal chemistry of minerals of the wohlerite group from the Los Archipelago, Guinea
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              593
_journal_page_last               609
_journal_paper_doi               10.3749/canmin.50.3.593
_journal_volume                  50
_journal_year                    2012
_chemical_compound_source
'the nepheline syenites of the Los Archipelago, Guinea'
_chemical_formula_sum
'Ca0.824 F Mn0.725 Na1.176 O8 Si2 Ti1.075 Zr0.2'
_chemical_name_mineral           Normandite
_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                 108.056
_cell_angle_gamma                90
_cell_length_a                   10.8044
_cell_length_b                   9.7945
_cell_length_c                   7.0532
_cell_formula_units_Z            4
_cell_volume                     709.639
_database_code_amcsd             0019477
_exptl_crystal_density_diffrn    3.489
_cod_original_formula_sum
'Zr.2 Ti1.075 Mn.725 (Ca.824 Na1.176) Si2 O8 F'
_cod_database_code               9015135
The Crystal Structure of Tl Se, Thallous Thallic or Thallosic Selenide _cod_database_code 1010454
Ketelaar, J.; t'Hart W; Polder, D.; Zeitschrift fur Kristallographie 101 (1939) 396–405; doi:

data_9015136
_publ_section_title
;
 The Crystal Structure of Tl Se, Thallous Thallic or Thallosic Selenide
 _cod_database_code 1010454
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              396
_journal_page_last               405
_journal_volume                  101
_journal_year                    1939
_chemical_formula_sum            'Se Tl'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.02
_cell_length_b                   8.02
_cell_length_c                   7.00
_cell_formula_units_Z            8
_cell_volume                     450.243
_database_code_amcsd             0017374
_exptl_crystal_density_diffrn    8.360
_cod_duplicate_entry             1010454
_cod_original_formula_sum        'Tl Se'
_cod_database_code               9015136
_amcsd_formula_title             'Se2 Tl2'
Variability in sepiolite: Diffraction studies Note: Sample NOR225 Note: T = 225 C
Sanchez, M.; Garcia-Romero E; Suarez, M.; Silva, I.; Fuentes-Montero L; Martinez-Criado G; American Mineralogist 96 (2011) 1443–1454; doi:10.2138/am.2011.3761

data_9015137
_publ_section_title
;
 Variability in sepiolite: Diffraction studies
 Note: Sample NOR225
 Note: T = 225 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1443
_journal_page_last               1454
_journal_paper_doi               10.2138/am.2011.3761
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source        'Fauske, Nordland, Norway'
_chemical_formula_sum            'H6 Mg3.84 O19 Si6'
_chemical_name_mineral           Sepiolite
_space_group_IT_number           52
_symmetry_space_group_name_Hall  '-P 2ab 2n'
_symmetry_space_group_name_H-M   'P n c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.3765
_cell_length_b                   27.0850
_cell_length_c                   5.2757
_cell_volume                     1911.399
_database_code_amcsd             0018533
_exptl_crystal_density_diffrn    1.987
_cod_original_formula_sum        'Si6 Mg3.84 O19 H6'
_cod_database_code               9015137
Revision of the crystal structure and chemical formula of weeksite, K2(UO2)2(Si5O13)*4H2O
Fejfarova, K.; Plasil, J.; Yang, H.; Cejka, J.; Dusek, M.; Downs, R. T.; Barkley, M. C.; Skoda, R.; American Mineralogist 97 (2012) 750–754; doi:10.2138/am.2012.4025

data_9015138
_publ_section_title
;
 Revision of the crystal structure and chemical formula of weeksite,
 K2(UO2)2(Si5O13)*4H2O
;
_journal_name_full               'American Mineralogist'
_journal_page_first              750
_journal_page_last               754
_journal_paper_doi               10.2138/am.2012.4025
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source        'Anderson mine, Arizona, USA'
_chemical_formula_sum            'H15.716 K3.762 O41.858 Si10 U4'
_chemical_name_mineral           Weeksite
_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                 111.578
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.1957
_cell_length_b                   14.2291
_cell_length_c                   9.6305
_cell_volume                     1808.954
_database_code_amcsd             0018760
_exptl_crystal_density_diffrn    3.792
_cod_original_formula_sum        'U4 K3.762 Si10 O41.858 H15.716'
_cod_database_code               9015138
Low-temperature behavior of natural kalsilite with P31c symmetry: An in situ single-crystal X-ray diffraction study T = 225 K
Gatta, G. D.; Angel, R. J.; Carpenter, M. A.; American Mineralogist 95 (2010) 1027–1034; doi:10.2138/am.2010.3478

data_9015139
_publ_section_title
;
 Low-temperature behavior of natural kalsilite with P31c symmetry:
 An in situ single-crystal X-ray diffraction study
 T = 225 K
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1027
_journal_page_last               1034
_journal_paper_doi               10.2138/am.2010.3478
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source
'a granulite facies gneiss from the Punalur district in Kerala, India'
_chemical_formula_sum            'Al K0.985 O4 Si'
_chemical_name_mineral           Kalsilite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.1627
_cell_length_b                   5.1627
_cell_length_c                   8.7392
_cell_formula_units_Z            2
_cell_volume                     201.723
_database_code_amcsd             0005058
_exptl_crystal_density_diffrn    2.594
_cod_original_formula_sum        'K.985 Al Si O4'
_cod_database_code               9015139