LMucko/crystallography-open-database huggingface dataset:
Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals, mineralogical description and crystal structure
Tillmanns, E.; Hofmeister, W.; Petitjean, K.; Bulletin of the Geological Society of Finland 57 (1985) 119–127; doi:

data_9015224
_publ_section_title
;
 Cornubite, Cu5(AsO4)2(OH)4, first occurence of single crystals,
 mineralogical description and crystal structure
;
_journal_name_full
'Bulletin of the Geological Society of Finland'
_journal_page_first              119
_journal_page_last               127
_journal_volume                  57
_journal_year                    1985
_chemical_compound_source
'Reichenbach, Odenwald near Bensheim, Hessen, West Germany'
_chemical_formula_sum            'As2 Cu5 O12'
_chemical_name_mineral           Cornubite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.93
_cell_angle_beta                 111.30
_cell_angle_gamma                107.47
_cell_length_a                   6.121
_cell_length_b                   6.251
_cell_length_c                   6.790
_cell_formula_units_Z            1
_cell_volume                     227.109
_database_code_amcsd             0012147
_exptl_crystal_density_diffrn    4.823
_cod_original_formula_sum        'Cu5 As2 O12'
_cod_database_code               9015224
Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway: The role of iron in a borosilicate with a mullite-type structure
Grew, E. S.; Armbruster, T.; Lazic, P.; Yates, M. G.; Medenbach, O.; Huijsmans, J. P. P.; European Journal of Mineralogy 23 (2011) 577–589; doi:10.1127/0935-1221/2011/0023-2121

data_9015225
_publ_section_title
;
 Werdingite from a pegmatite at Almgjotheii, Rogaland, Norway:
 The role of iron in a borosilicate with a mullite-type structure
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              577
_journal_page_last               589
_journal_paper_doi               10.1127/0935-1221/2011/0023-2121
_journal_volume                  23
_journal_year                    2011
_chemical_compound_source        'Bok se Puts, Namaqualand, South Africa'
_chemical_formula_sum            'Al13.571 B3.58 Fe0.8 Mg1.634 O37 Si4'
_chemical_name_mineral           Werdingite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                110.4360
_cell_angle_beta                 110.8720
_cell_angle_gamma                84.6780
_cell_length_a                   7.98539
_cell_length_b                   8.15541
_cell_length_c                   11.40210
_cell_formula_units_Z            1
_cell_volume                     649.732
_database_code_amcsd             0018636
_exptl_crystal_density_diffrn    3.050
_cod_original_formula_sum        'Al13.571 Fe.8 Mg1.634 Si4 B3.58 O37'
_cod_database_code               9015225
Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
Galuskin, E. V.; Lazic, B.; Armbruster, T.; Galuskina, I. O.; Pertsev, N. N.; Gazeev, V. M.; Wlodyka, R.; Dulski, M.; Dzierzanowski, P.; Zadov, A. E.; Dubrovinsky, L. S.; American Mineralogist 97 (2012) 1998–2006; doi:10.2138/am.2012.4161

data_9015226
_publ_section_title
;
 Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series
 of calcium humite-group minerals from altered xenoliths in the ignimbrite
 of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1998
_journal_page_last               2006
_journal_paper_doi               10.2138/am.2012.4161
_journal_volume                  97
_journal_year                    2012
_chemical_compound_source
'Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia'
_chemical_formula_sum            'Ca9 F0.96 O17.04 Si4'
_chemical_name_mineral           Edgrewite
_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                100.598
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.0687
_cell_length_b                   11.3579
_cell_length_c                   15.4004
_cell_formula_units_Z            2
_cell_volume                     871.474
_database_code_amcsd             0019557
_exptl_crystal_density_diffrn    2.911
_cod_original_formula_sum        'Ca9 Si4 O17.04 F.96'
_cod_database_code               9015226
Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from Yakutian charoitites: agrellite polytypes
Rozhdestvenskaya, I. V.; Nikishova, L. V.; Crystallography Reports 43 (1998) 589–597; doi:

data_9015227
_publ_section_title
;
 Crystal structure of Na(Ca,Sr)2Si4O10F strontium agrellite from
 Yakutian charoitites: agrellite polytypes
;
_journal_name_full               'Crystallography Reports'
_journal_page_first              589
_journal_page_last               597
_journal_volume                  43
_journal_year                    1998
_chemical_compound_source
"Sirenevyi Kamen' deposit, Murunskii massif, Yakutia, Russia"
_chemical_formula_sum            'Ca3.46 F2 Na2.1 O20 Si8 Sr0.3'
_chemical_name_mineral           Agrellite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.17
_cell_angle_beta                 116.78
_cell_angle_gamma                94.16
_cell_formula_units_Z            2
_cell_length_a                   7.788
_cell_length_b                   18.941
_cell_length_c                   6.995
_cell_volume                     918.013
_database_code_amcsd             0019049
_exptl_crystal_density_diffrn    2.879
_cod_original_formula_sum        'Ca3.46 Sr.3 Na2.1 Si8 F2 O20'
_cod_database_code               9015227
The crystal structure of vladimirite, with a revised chemical formula, Ca4(AsO4)2(AsO3OH)*4H2O Note: Sample R100075
Yang, H.; Evans, S. H.; Downs, R. T.; Jenkins, R. A.; The Canadian Mineralogist 49 (2011) 1055–1064; doi:10.3749/canmin.49.4.1055

data_9015228
_publ_section_title
;
 The crystal structure of vladimirite, with a revised chemical formula,
 Ca4(AsO4)2(AsO3OH)*4H2O
 Note: Sample R100075
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1055
_journal_page_last               1064
_journal_paper_doi               10.3749/canmin.49.4.1055
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source
'Ait Ahmane vein No. 53, Bou Azzer district, Morroco'
_chemical_formula_sum            'As3 Ca4 H9 O16'
_chemical_name_mineral           Vladimirite
_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                 96.943
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8279
_cell_length_b                   10.1802
_cell_length_c                   22.8944
_cell_volume                     1348.346
_database_code_amcsd             0018560
_exptl_crystal_density_diffrn    3.203
_cod_original_cell_volume        1348.345
_cod_original_formula_sum        'Ca4 As3 O16 H9'
_cod_database_code               9015228
The Crystal Structure of Potassium Sulphamate _cod_database_code 1010479
Brown, C.; Cox, E.; Journal of the Chemical Society 1940 (1940) 1–10; doi:

data_9015229
_publ_section_title
;
 The Crystal Structure of Potassium Sulphamate
 _cod_database_code 1010479
;
_journal_name_full               'Journal of the Chemical Society'
_journal_page_first              1
_journal_page_last               10
_journal_volume                  1940
_journal_year                    1940
_chemical_formula_sum            'K N O3 S'
_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                   8.32
_cell_length_b                   8.28
_cell_length_c                   5.9
_cell_formula_units_Z            4
_cell_volume                     406.449
_database_code_amcsd             0017395
_exptl_crystal_density_diffrn    2.176
_cod_duplicate_entry             1010479
_cod_original_formula_sum        'K S N O3'
_cod_database_code               9015229
_amcsd_formula_title             'H2 K N O3 S'
CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type
Effenberger, H.; Zeitschrift fur Kristallographie 19 (2002) 85–85; doi:

data_9015230
_publ_section_title
;
 CdCu(OH)(AsO4), the first Cd member of the adelite-descloizite structure type
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              85
_journal_page_last               85
_journal_volume                  19
_journal_year                    2002
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Cd Cu H O5'
_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_length_a                   7.415
_cell_length_b                   5.890
_cell_length_c                   9.016
_cell_formula_units_Z            4
_cell_volume                     393.768
_database_code_amcsd             0019130
_exptl_crystal_density_diffrn    5.598
_cod_original_formula_sum        'Cd Cu As O5 H'
_cod_database_code               9015230
_amcsd_formula_title             CdCu(OH)(AsO4)
The Crystal Structure of Lepidocrocite _cod_database_code 1011026
Ewing, F.; Journal of Chemical Physics 3 (1935) 420–424; doi:10.1063/1.1749692

data_9015231
_publ_section_title
;
 The Crystal Structure of Lepidocrocite
 _cod_database_code 1011026
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              420
_journal_page_last               424
_journal_paper_doi               10.1063/1.1749692
_journal_volume                  3
_journal_year                    1935
_chemical_formula_sum            'Fe O2'
_chemical_name_mineral           Lepidocrocite
_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                   3.87
_cell_length_b                   12.51
_cell_length_c                   3.06
_cell_formula_units_Z            4
_cell_volume                     148.146
_database_code_amcsd             0017932
_exptl_crystal_density_diffrn    3.939
_cod_duplicate_entry             1011026
_cod_database_code               9015231
Etude roentgenographique de la laurionite Pb Cl (O H) _cod_database_code 1011083
Brasseur, H.; Bulletin de la Societe Royal des Sciences de Liege 9 (1940) 166–169; doi:

data_9015232
_publ_section_title
;
 Etude roentgenographique de la laurionite Pb Cl (O H)
 _cod_database_code 1011083
;
_journal_name_full
'Bulletin de la Societe Royal des Sciences de Liege'
_journal_page_first              166
_journal_page_last               169
_journal_volume                  9
_journal_year                    1940
_chemical_formula_sum            'Cl O Pb'
_chemical_name_mineral           Laurionite
_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                   7.1
_cell_length_b                   9.7
_cell_length_c                   4.05
_cell_formula_units_Z            4
_cell_volume                     278.923
_database_code_amcsd             0017980
_exptl_crystal_density_diffrn    6.159
_cod_duplicate_entry             1011083
_cod_original_cell_volume        278.924
_cod_original_formula_sum        'Pb Cl O'
_cod_database_code               9015232
Zur Kristallstruktur der Calcium - Stickstoffverbindungen _cod_database_code 1010405
Franck, H.; Bredig, M.; Hoffmann, G.; Naturwissenschaften 21 (1933) 330–331; doi:

data_9015233
_publ_section_title
;
 Zur Kristallstruktur der Calcium - Stickstoffverbindungen
 _cod_database_code 1010405
;
_journal_name_full               Naturwissenschaften
_journal_page_first              330
_journal_page_last               331
_journal_volume                  21
_journal_year                    1933
_chemical_formula_sum            'Ca N'
_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                   5.006
_cell_length_b                   5.006
_cell_length_c                   5.006
_cell_formula_units_Z            4
_cell_volume                     125.451
_database_code_amcsd             0017330
_exptl_crystal_density_diffrn    2.864
_cod_duplicate_entry             1010405
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9015233
_amcsd_formula_title             'Ca H N'
The low-temperature and high-pressure thermoelastic and structural properties of chalcopyrite, CuFeS2 T = 300 K
Knight, K. S.; Marshall, W. G.; Zochowski, S. W.; The Canadian Mineralogist 49 (2011) 1015–1034; doi:10.3749/canmin.49.4.1015

data_9015234
_publ_section_title
;
 The low-temperature and high-pressure thermoelastic and
 structural properties of chalcopyrite, CuFeS2
 T = 300 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1015
_journal_page_last               1034
_journal_paper_doi               10.3749/canmin.49.4.1015
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Palabora mine, South Africa'
_chemical_formula_sum            'Cu Fe S2'
_chemical_name_mineral           Chalcopyrite
_space_group_IT_number           122
_symmetry_space_group_name_Hall  'I -4 2bw'
_symmetry_space_group_name_H-M   'I -4 2 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2900
_cell_length_b                   5.2900
_cell_length_c                   10.4217
_cell_formula_units_Z            4
_cell_volume                     291.642
_database_code_amcsd             0018622
_exptl_crystal_density_diffrn    4.180
_cod_database_code               9015234
Problemes d'ordre-desordre dans les vermiculites structure du mineral calcique hydrate a 2 couches _cod_database_code 1001031
de la Calle, C.; Pezerat, H.; Gasperin, M.; Journal de Physique 38 (1977) 128–133; doi:

data_9015235
_publ_section_title
;
 Problemes d'ordre-desordre dans les vermiculites structure du mineral
 calcique hydrate a 2 couches
 _cod_database_code 1001031
;
_journal_name_full               'Journal de Physique'
_journal_page_first              128
_journal_page_last               133
_journal_volume                  38
_journal_year                    1977
_chemical_formula_sum
'Al1.68 Ca0.43 Fe0.207 Mg2.022 O15.16 Si2.764 Ti0.042'
_chemical_name_mineral           Vermiculite
_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                 96.83
_cell_angle_gamma                90
_cell_length_a                   5.351
_cell_length_b                   9.262
_cell_length_c                   15.03
_cell_formula_units_Z            2
_cell_volume                     739.615
_database_code_amcsd             0012759
_exptl_crystal_density_diffrn    2.000
_cod_duplicate_entry             1001031
_cod_original_formula_sum
'Si2.764 Al1.68 Fe.207 Mg2.022 Ti.042 O15.16 Ca.43'
_cod_database_code               9015235
Structures of the ferroelectric phases of barium titanate Note: T = 130 K
Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.; Cheong, S. W.; Journal of Physical Chemistry 97 (1993) 2368–2377; doi:10.1021/j100112a043

data_9015236
_publ_section_title
;
 Structures of the ferroelectric phases of barium titanate
 Note: T = 130 K
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2368
_journal_page_last               2377
_journal_paper_doi               10.1021/j100112a043
_journal_volume                  97
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ba O3 Ti'
_space_group_IT_number           160
_symmetry_space_group_name_Hall  'P 3* -2'
_symmetry_space_group_name_H-M   'R 3 m :R'
_cell_angle_alpha                89.843
_cell_angle_beta                 89.843
_cell_angle_gamma                89.843
_cell_length_a                   4.00385
_cell_length_b                   4.00385
_cell_length_c                   4.00385
_cell_formula_units_Z            1
_cell_volume                     64.184
_database_code_amcsd             0018588
_exptl_crystal_density_diffrn    6.033
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum        'Ba Ti O3'
_cod_database_code               9015236
_amcsd_formula_title             BaTiO3
Roentgenographische Untersuchung der Mischkristallreihe Karnallit- Bromkarnallit _cod_database_code 1010933
Andress, K.; Saffe, O.; Zeitschrift fur Kristallographie 101 (1939) 451–469; doi:

data_9015237
_publ_section_title
;
 Roentgenographische Untersuchung der Mischkristallreihe Karnallit-
 Bromkarnallit
 _cod_database_code 1010933
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              451
_journal_page_last               469
_journal_volume                  101
_journal_year                    1939
_chemical_formula_sum            'Br1.5 Cl1.5 K Mg O6'
_chemical_name_mineral           Bromcarnallite
_space_group_IT_number           85
_symmetry_space_group_name_Hall  'P 4ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.370
_cell_length_b                   13.370
_cell_length_c                   6.713
_cell_formula_units_Z            4
_cell_volume                     1199.995
_database_code_amcsd             0017655
_exptl_crystal_density_diffrn    1.840
_cod_duplicate_entry             1010933
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_original_formula_sum        'Mg K (Br1.5 Cl1.5) O6'
_cod_database_code               9015237
Essential features of the polytypic charoite-96 structure compared to charoite-90 Note: This structure is polytype charoite-96
Rozhdestvenskaya, I. V.; Mugnaioli, E.; Czank, M.; Depmeier, W.; Kolb, U.; Merlino, S.; Mineralogical Magazine 75 (2011) 2833–2846; doi:10.1180/minmag.2011.075.6.2833

data_9015238
_publ_section_title
;
 Essential features of the polytypic charoite-96 structure compared to charoite-90
 Note: This structure is polytype charoite-96
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2833
_journal_page_last               2846
_journal_paper_doi               10.1180/minmag.2011.075.6.2833
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source
'Murun massif in Yakutia, Sakha Republic, Siberia, Russia'
_chemical_formula_sum            'Ca12 F H1.82 K6.58 Na3.66 O91.41 Si35 Sr0.69'
_chemical_name_mineral           Charoite
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.85
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   32.11
_cell_length_b                   19.77
_cell_length_c                   7.23
_cell_volume                     4565.808
_database_code_amcsd             0018568
_exptl_crystal_density_diffrn    2.436
_cod_original_formula_sum        'Na3.66 Ca12 K6.58 Sr.69 Si35 O91.41 F H1.82'
_cod_database_code               9015238
Crystal Structures of Ba Fe F5 . H2 O
Fourquet, J.; Duroy, H.; European Journal of Solid State and Inorganic Chemistry 26 (1989) 413–418; doi:

data_9015239
_publ_section_title
;
 Crystal Structures of Ba Fe F5 . H2 O
;
_journal_name_full
'European Journal of Solid State and Inorganic Chemistry'
_journal_page_first              413
_journal_page_last               418
_journal_volume                  26
_journal_year                    1989
_chemical_formula_sum            'Ba F5 Fe O'
_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                   10.314
_cell_length_b                   7.317
_cell_length_c                   13.463
_cell_formula_units_Z            8
_cell_volume                     1016.019
_database_code_amcsd             0012527
_exptl_crystal_density_diffrn    3.977
_cod_duplicate_entry             1000481
_cod_original_cell_volume        1016.020
_cod_original_formula_sum        'Ba Fe F5 O'
_cod_database_code               9015239
_amcsd_formula_title             'Ba F5 Fe H2 O'
Die Gitterkonstante des Ammoniumkryoliths. _cod_database_code 1010577
Menzer, G.; Zeitschrift fur Kristallographie 73 (1930) 113–113; doi:

data_9015240
_publ_section_title
;
 Die Gitterkonstante des Ammoniumkryoliths.
 _cod_database_code 1010577
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              113
_journal_page_last               113
_journal_volume                  73
_journal_year                    1930
_chemical_formula_sum            'Al F6 H12 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_formula_units_Z            4
_cell_length_a                   8.904
_cell_length_b                   8.904
_cell_length_c                   8.904
_cell_volume                     705.920
_database_code_amcsd             0017461
_exptl_crystal_density_diffrn    1.722
_cod_duplicate_entry             1010577
_cod_original_formula_sum        'N3 Al F6'
_cod_database_code               9015240
_amcsd_formula_title             'Al F6 H12 N3'