LMucko/crystallography-open-database huggingface dataset:
Reduced alkaline earth tantalates Note: isostructural with fluornatromicrolite
Siegrist, T.; Cava, R. J.; Krajewski, J. J.; Materials Research Bulletin 32 (1997) 881–887; doi:10.1016/S0025-5408(97)00066-4

data_9012068
_publ_section_title
;
 Reduced alkaline earth tantalates
 Note: isostructural with fluornatromicrolite
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              881
_journal_page_last               887
_journal_paper_doi               10.1016/S0025-5408(97)00066-4
_journal_volume                  32
_journal_year                    1997
_chemical_formula_sum            'Ca2 F O6 Ta2'
_chemical_name_mineral           Microlite
_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                   10.421
_cell_length_b                   10.421
_cell_length_c                   10.421
_cell_formula_units_Z            8
_cell_volume                     1131.692
_database_code_amcsd             0014379
_exptl_crystal_density_diffrn    6.539
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ta2 Ca2 O6 F'
_cod_database_code               9012068
Reduced alkaline earth tantalates
Siegrist, T.; Cava, R. J.; Krajewski, J. J.; Materials Research Bulletin 32 (1997) 881–887; doi:10.1016/S0025-5408(97)00066-4

data_9012069
_publ_section_title
;
 Reduced alkaline earth tantalates
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              881
_journal_page_last               887
_journal_paper_doi               10.1016/S0025-5408(97)00066-4
_journal_volume                  32
_journal_year                    1997
_chemical_formula_structural     Sr2.83Ta5O15
_chemical_formula_sum            'O15 Sr2.83 Ta5'
_space_group_IT_number           127
_symmetry_space_group_name_Hall  '-P 4 2ab'
_symmetry_space_group_name_H-M   'P 4/m b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.282
_cell_length_b                   12.282
_cell_length_c                   3.864
_cell_formula_units_Z            2
_cell_volume                     582.875
_database_code_amcsd             0014380
_exptl_crystal_density_diffrn    7.935
_cod_original_formula_sum        'Sr2.83 Ta5 O15'
_cod_database_code               9012069
_amcsd_formula_title             Sr2.83Ta5O15
Reduced alkaline earth tantalates
Siegrist, T.; Cava, R. J.; Krajewski, J. J.; Materials Research Bulletin 32 (1997) 881–887; doi:10.1016/S0025-5408(97)00066-4

data_9012070
_publ_section_title
;
 Reduced alkaline earth tantalates
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              881
_journal_page_last               887
_journal_paper_doi               10.1016/S0025-5408(97)00066-4
_journal_volume                  32
_journal_year                    1997
_chemical_formula_structural     Ba2Ta15O32
_chemical_formula_sum            'Ba2 O32 Ta15'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.773
_cell_length_b                   7.773
_cell_length_c                   35.414
_cell_formula_units_Z            3
_cell_volume                     1853.032
_database_code_amcsd             0014381
_exptl_crystal_density_diffrn    9.412
_cod_original_sg_symbol_H-M      'R -3'
_cod_original_formula_sum        'Ba2 Ta15 O32'
_cod_database_code               9012070
_amcsd_formula_title             Ba2Ta15O32
Thermal, spectroscopic and magnetic properties of the CoxNi1-x(SeO3)*2H2O (x = 0, 0.4, 1) phases crystal structure of Co0.4Ni0.6(SeO3)*2H2O
Larranaga, A.; Mesa, J. L.; Pizarro, J. L.; Pena, A.; Chapman, J. P.; Arriortua, M. I.; Rojo, T.; Materials Research Bulletin 40 (2005) 781–793; doi:10.1016/j.materresbull.2005.02.005

data_9012071
_publ_section_title
;
 Thermal, spectroscopic and magnetic properties of the CoxNi1-x(SeO3)*2H2O
 (x = 0, 0.4, 1) phases crystal structure of Co0.4Ni0.6(SeO3)*2H2O
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              781
_journal_page_last               793
_journal_paper_doi               10.1016/j.materresbull.2005.02.005
_journal_volume                  40
_journal_year                    2005
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Co0.4 H4 Ni0.6 O5 Se'
_chemical_name_mineral           Ahlfeldite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.927
_cell_angle_gamma                90
_cell_length_a                   6.4681
_cell_length_b                   8.7816
_cell_length_c                   7.5668
_cell_formula_units_Z            4
_cell_volume                     424.590
_database_code_amcsd             0014382
_exptl_crystal_density_diffrn    3.469
_cod_original_formula_sum        '(Ni.6 Co.4) Se O5 H4'
_cod_database_code               9012071
Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Substructure
Effenberger, E.; Monatshefte fur Chemie 112 (1981) 899–909; doi:10.1007/BF00905061

data_9012072
_publ_section_title
;
 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem
 monohydrocalcit, CaCO3*H2O
 Substructure
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              899
_journal_page_last               909
_journal_paper_doi               10.1007/BF00905061
_journal_volume                  112
_journal_year                    1981
_chemical_formula_sum            'C H2 Ca O4'
_chemical_name_mineral           Monohydrocalcite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.0931
_cell_length_b                   6.0931
_cell_length_c                   7.5446
_cell_volume                     242.574
_database_code_amcsd             0014665
_exptl_crystal_density_diffrn    2.425
_cod_original_formula_sum        'Ca C O4 H2'
_cod_database_code               9012072
Kristallstruktur und infrarot-absorptionsspektrum von synthetischem monohydrocalcit, CaCO3*H2O Superstructure
Effenberger, E.; Monatshefte fur Chemie 112 (1981) 899–909; doi:10.1007/BF00905061

data_9012073
_publ_section_title
;
 Kristallstruktur und infrarot-absorptionsspektrum von synthetischem
 monohydrocalcit, CaCO3*H2O
 Superstructure
;
_journal_name_full               'Monatshefte fur Chemie'
_journal_page_first              899
_journal_page_last               909
_journal_paper_doi               10.1007/BF00905061
_journal_volume                  112
_journal_year                    1981
_chemical_formula_sum            'C H2 Ca O4'
_chemical_name_mineral           Monohydrocalcite
_space_group_IT_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            9
_cell_length_a                   10.5536
_cell_length_b                   10.5536
_cell_length_c                   7.5446
_cell_volume                     727.726
_database_code_amcsd             0014666
_exptl_crystal_density_diffrn    2.425
_cod_original_formula_sum        'Ca C O4 H2'
_cod_database_code               9012073
Ferrifayalite and its crystal structure Note: Reported SiO bond lengths of 1.9 could not be reproduced
Ferrifayalite Research Group; Acta Geologica Sinica 50 (1976) 161–175; doi:

data_9012074
_publ_section_title
;
 Ferrifayalite and its crystal structure
 Note: Reported SiO bond lengths of 1.9 could not be reproduced
;
_journal_name_full               'Acta Geologica Sinica'
_journal_page_first              161
_journal_page_last               175
_journal_volume                  50
_journal_year                    1976
_chemical_compound_source        'Liaoning Province, China'
_chemical_formula_sum            'Fe5 O16 Si4'
_chemical_name_mineral           Laihunite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2xab'
_symmetry_space_group_name_H-M   'P 21/b 1 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.808
_cell_length_b                   10.171
_cell_length_c                   5.824
_cell_formula_units_Z            2
_cell_volume                     284.806
_database_code_amcsd             0011976
_exptl_crystal_density_diffrn    7.551
_cod_original_formula_sum        'Fe5 Si4 O16'
_cod_database_code               9012074
Structure cristalline des trioxalates complexes de potassium II. Structure du ferrotrioxalate de potassium racemique et comparaison avec les trioxalates complexes actifs Locality: synthetic Note: C3'(y) changed to 0.259, but still unable to reproduce reported bond distances
Herpin, P.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 81 (1958) 245–256; doi:

data_9012075
_publ_section_title
;Structure cristalline des trioxalates complexes de potassium II. Structure du
 ferrotrioxalate de potassium racemique et comparaison avec les trioxalates
 complexes actifs Locality: synthetic Note: C3'(y) changed to 0.259, but still
 unable to reproduce reported bond distances
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              245
_journal_page_last               256
_journal_volume                  81
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C6 H6 Fe K3 O15'
_chemical_name_mineral           Minguzzite
_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                 105.1
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.66
_cell_length_b                   19.87
_cell_length_c                   10.27
_cell_volume                     1509.166
_database_code_amcsd             0012109
_exptl_crystal_density_diffrn    2.156
_cod_original_formula_sum        'Fe K3 O15 C6 H6'
_cod_database_code               9012075
Structure cristalline de CoAs2
Darmon, R.; Wintenberger, M.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89 (1966) 213–215; doi:

data_9012076
_publ_section_title
;
 Structure cristalline de CoAs2
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  89
_journal_year                    1966
_chemical_formula_sum            'As2 Co'
_chemical_name_mineral           Clinosafflorite
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc (x+1/2*z,y,1/2*z)'
_space_group_name_H-M_alt        'B 1 21/d 1'
_symmetry_space_group_name_H-M   'B 1 21/d 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.6
_cell_angle_gamma                90
_cell_length_a                   10.12
_cell_length_b                   5.86
_cell_length_c                   6.24
_cell_formula_units_Z            8
_cell_volume                     370.032
_database_code_amcsd             0012118
_exptl_crystal_density_diffrn    7.495
_cod_depositor_comments
;
 Updating space group information.

 2018-06-13,
 Antanas Vaitkus
;
_cod_original_formula_sum        'Co As2'
_cod_database_code               9012076
Structure cristalline de CoAs2 Note: coordinates transformed from B2_1/d to P2_1/c
Darmon, R.; Wintenberger, M.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 89 (1966) 213–215; doi:

data_9012077
_publ_section_title
;
 Structure cristalline de CoAs2
 Note: coordinates transformed from B2_1/d to P2_1/c
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  89
_journal_year                    1966
_chemical_formula_sum            'As2 Co'
_chemical_name_mineral           Clinosafflorite
_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                 116.685
_cell_angle_gamma                90
_cell_length_a                   5.972
_cell_length_b                   5.860
_cell_length_c                   5.917
_cell_formula_units_Z            4
_cell_volume                     185.016
_database_code_amcsd             0012119
_exptl_crystal_density_diffrn    7.495
_cod_original_formula_sum        'Co As2'
_cod_database_code               9012077
Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par diffraction des rayons X et resonance magnetique nucleaire Locality: synthetic Note: schoenfliesite group
Cohen-Addad C; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 32–35; doi:

data_9012078
_publ_section_title
;
 Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par
 diffraction des rayons X et resonance magnetique nucleaire
 Locality: synthetic
 Note: schoenfliesite group
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              32
_journal_page_last               35
_journal_volume                  90
_journal_year                    1967
_chemical_formula_sum            'H6 O6 Sn Zn'
_chemical_name_mineral           Vismirnovite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.80
_cell_length_b                   7.80
_cell_length_c                   7.80
_cell_volume                     474.552
_exptl_crystal_density_diffrn    4.005
_cod_duplicate_entry             9009699
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Zn Sn (O6 H6)'
_cod_database_code               9012078
Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par diffraction des rayons X et resonance magnetique nucleaire Locality: synthetic Note: schoenfliesite group
Cohen-Addad C; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 90 (1967) 32–35; doi:

data_9012079
_publ_section_title
;
 Etude des hydroxystannates CaSn(OH)6 et ZnSn(OH)6 par
 diffraction des rayons X et resonance magnetique nucleaire
 Locality: synthetic
 Note: schoenfliesite group
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              32
_journal_page_last               35
_journal_volume                  90
_journal_year                    1967
_chemical_formula_sum            'Ca H6 O6 Sn'
_chemical_name_mineral           Burtite
_space_group_IT_number           201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.15
_cell_length_b                   8.15
_cell_length_c                   8.15
_cell_volume                     541.343
_exptl_crystal_density_diffrn    3.200
_cod_duplicate_entry             9009700
_cod_original_sg_symbol_H-M      'P n 3'
_cod_original_formula_sum        'Ca Sn (O6 H6)'
_cod_database_code               9012079
La despujolsite, une nouvelle espece minerale
Gaudefroy, C.; Granger, M. M.; Permingeat, F.; Protas, J.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 91 (1968) 43–50; doi:

data_9012080
_publ_section_title
;
 La despujolsite, une nouvelle espece minerale
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              43
_journal_page_last               50
_journal_volume                  91
_journal_year                    1968
_chemical_compound_source        'Tachgagalt, Morocco'
_chemical_formula_sum            'Ca3 H12 Mn O17 S2'
_chemical_name_mineral           Despujolsite
_space_group_IT_number           190
_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                   8.56
_cell_length_b                   8.56
_cell_length_c                   10.76
_cell_volume                     682.795
_database_code_amcsd             0012127
_exptl_crystal_density_diffrn    2.546
_cod_original_formula_sum        'Ca3 Mn S2 O17 H12'
_cod_database_code               9012080
Structure cristalline de la parabutlerite
Borene, J.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 93 (1970) 185–189; doi:

data_9012081
_publ_section_title
;
 Structure cristalline de la parabutlerite
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              185
_journal_page_last               189
_journal_volume                  93
_journal_year                    1970
_chemical_formula_sum            'Fe H5 O7 S'
_chemical_name_mineral           Parabutlerite
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2bc 2a'
_symmetry_space_group_name_H-M   'P m n b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.38
_cell_length_b                   20.13
_cell_length_c                   7.22
_cell_volume                     1072.599
_exptl_crystal_density_diffrn    2.538
_cell_formula_units_Z            8
_cod_depositor_comments
;
    Z inserted to be consisten with given formula
    Oxygen water renamed so that they are recognized as oxygens
                             miguel
;
_cod_original_formula_sum        'Fe S O7 H5'
_cod_database_code               9012081
_database_code_amcsd 0012131
Affinement de la structure cristalline du cinabre a-HgS
Auvray, P.; Genet, F.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 96 (1973) 218–219; doi:

data_9012082
_publ_section_title
;
 Affinement de la structure cristalline du cinabre a-HgS
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              218
_journal_page_last               219
_journal_volume                  96
_journal_year                    1973
_chemical_formula_sum            'Hg S'
_chemical_name_mineral           Cinnabar
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.145
_cell_length_b                   4.145
_cell_length_c                   9.496
_cell_formula_units_Z            3
_cell_volume                     141.293
_database_code_amcsd             0012137
_exptl_crystal_density_diffrn    8.203
_cod_database_code               9012082
Etude chimique et structurale d'un sulfure naturel: la zinckenite
Lebas, G.; le Bihan, M. T.; Bulletin de Mineralogie 99 (1976) 351–360; doi:

data_9012083
_publ_section_title
;
 Etude chimique et structurale d'un sulfure naturel: la zinckenite
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              351
_journal_page_last               360
_journal_volume                  99
_journal_year                    1976
_chemical_compound_source        'Oruro, Bolivia'
_chemical_formula_sum            'Pb1.6 S7 Sb3.4'
_chemical_name_mineral           Zinkenite
_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            6
_cell_length_a                   22.12
_cell_length_b                   22.12
_cell_length_c                   4.32
_cell_volume                     1830.563
_database_code_amcsd             0012064
_exptl_crystal_density_diffrn    5.279
_cod_original_formula_sum        'Sb3.4 Pb1.6 S7'
_cod_database_code               9012083
Hydrogen bonding in the crystalline state. Structure of talmessite, Ca2(Mg,Co)(AsO4)2*2H2O, and crystal chemistry of related minerals
Catti, M.; Ferraris, G.; Ivaldi, G.; Bulletin de Mineralogie 100 (1977) 230–236; doi:

data_9012084
_publ_section_title
;
 Hydrogen bonding in the crystalline state. Structure of talmessite,
 Ca2(Mg,Co)(AsO4)2*2H2O, and crystal chemistry of related minerals
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              230
_journal_page_last               236
_journal_volume                  100
_journal_year                    1977
_chemical_compound_source        'Bou-Azzer, Morocco'
_chemical_formula_sum            'As2 Ca2 Co0.35 H4 Mg0.65 O10'
_chemical_name_mineral           Talmessite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.3
_cell_angle_beta                 108.7
_cell_angle_gamma                108.1
_cell_formula_units_Z            1
_cell_length_a                   5.874
_cell_length_b                   6.943
_cell_length_c                   5.537
_cell_volume                     196.762
_database_code_amcsd             0012065
_exptl_crystal_density_diffrn    3.633
_cod_original_formula_sum        'Ca2 (Mg.65 Co.35) As2 O10 H4'
_cod_database_code               9012084
_cod_duplicate_entry 9009704
Refinement of the crystal structure of anapaite, Ca2Fe(PO4)2*4H2O: hydrogen bonding and relationships with the bihydrated phase
Catti, M.; Ferraris, G.; Ivaldi, G.; Bulletin de Mineralogie 102 (1979) 314–318; doi:

data_9012085
_publ_section_title
;
 Refinement of the crystal structure of anapaite, Ca2Fe(PO4)2*4H2O:
 hydrogen bonding and relationships with the bihydrated phase
;
_journal_name_full               'Bulletin de Mineralogie'
_journal_page_first              314
_journal_page_last               318
_journal_volume                  102
_journal_year                    1979
_chemical_formula_sum            'Ca2 Fe H8 O12 P2'
_chemical_name_mineral           Anapaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.64
_cell_angle_beta                 104.24
_cell_angle_gamma                70.76
_cell_formula_units_Z            1
_cell_length_a                   6.447
_cell_length_b                   6.816
_cell_length_c                   5.898
_cell_volume                     235.108
_database_code_amcsd             0012067
_exptl_crystal_density_diffrn    2.811
_cod_duplicate_entry             9009706
_cod_original_formula_sum        'Ca2 Fe P2 O12 H8'
_cod_database_code               9012085