LMucko/crystallography-open-database huggingface dataset:
On the symmetry of tsumcorite group minerals based on the new species rappoldite and zincgartrellite
Effenberger, H.; Krause, W.; Bernhardt, H. J.; Martin, M.; Mineralogical Magazine 64 (2000) 1109–1126; doi:10.1180/002646100549922

data_9009519
_publ_section_title
;
 On the symmetry of tsumcorite group minerals
 based on the new species rappoldite and zincgartrellite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1109
_journal_page_last               1126
_journal_paper_doi               10.1180/002646100549922
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'As2 Cu0.4 Fe0.4 H4.4 O10 Pb Zn1.2'
_chemical_name_mineral           Zincgartrellite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                68.59
_cell_angle_beta                 69.17
_cell_angle_gamma                69.51
_cell_formula_units_Z            1
_cell_length_a                   5.550
_cell_length_b                   5.620
_cell_length_c                   7.621
_cell_volume                     200.104
_database_code_amcsd             0014556
_exptl_crystal_density_diffrn    5.375
_cod_original_formula_sum        'Pb (Zn1.2 Fe.4) Cu.4 As2 O10 H4.4'
_cod_database_code               9009519
The crystal structure of brunogeierite, Fe2GeO4 spinel
Welch, M. D.; Cooper, M. A.; Hawthorne, F. C.; Mineralogical Magazine 65 (2001) 441–444; doi:10.1180/002646101300119529

data_9009520
_publ_section_title
;
 The crystal structure of brunogeierite, Fe2GeO4 spinel
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              441
_journal_page_last               444
_journal_paper_doi               10.1180/002646101300119529
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source        'Tsumeb, Namibia'
_chemical_formula_sum            'Fe2 Ge O4'
_chemical_name_mineral           Brunogeierite
_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                   8.4127
_cell_length_b                   8.4127
_cell_length_c                   8.4127
_cell_formula_units_Z            8
_cell_volume                     595.396
_database_code_amcsd             0014558
_exptl_crystal_density_diffrn    5.540
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Ge Fe2 O4'
_cod_database_code               9009520
Revision of the crystal structure of ulrichite, CaCu2+(UO2)(PO4)2*4(H2O)
Kolitsch, U.; Giester, G.; Mineralogical Magazine 65 (2001) 717–724; doi:10.1180/0026461016560003

data_9009521
_publ_section_title
;
 Revision of the crystal structure of ulrichite, CaCu2+(UO2)(PO4)2*4(H2O)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              717
_journal_page_last               724
_journal_paper_doi               10.1180/0026461016560003
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source
'Lake Boga, near Swan Hill, Victoria, Australia'
_chemical_formula_sum            'Ca Cu H8 O14 P2 U'
_chemical_name_mineral           Ulrichite
_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                 91.92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.784
_cell_length_b                   6.996
_cell_length_c                   13.007
_cell_volume                     1162.652
_database_code_amcsd             0014560
_exptl_crystal_density_diffrn    3.631
_cod_original_formula_sum        'Ca Cu U P2 O14 H8'
_cod_database_code               9009521
Manganvesuvianite and tweddillite, two new Mn3±silicate minerals from the Kalahari manganese fields, South Africa
Armbruster, T.; Gnos, E.; Dixon, R.; Gutzmer, J.; Hejny, C.; Dobelin, N.; Medenbach, O.; Mineralogical Magazine 66 (2002) 137–150; doi:10.1180/0026461026610018

data_9009522
_publ_section_title
;
 Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals
 from the Kalahari manganese fields, South Africa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              137
_journal_page_last               150
_journal_paper_doi               10.1180/0026461026610018
_journal_volume                  66
_journal_year                    2002
_chemical_compound_source        'Kalahari manganese fields, South Africa'
_chemical_formula_sum            'Al1.43 Ca Fe0.257 H Mn1.313 O13 Si3 Sr'
_chemical_name_mineral           Tweddillite
_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                 114.54
_cell_angle_gamma                90
_cell_length_a                   8.934
_cell_length_b                   5.718
_cell_length_c                   10.325
_cell_formula_units_Z            2
_cell_volume                     479.805
_database_code_amcsd             0014561
_exptl_crystal_density_diffrn    3.779
_cod_original_formula_sum        'Ca Sr Al1.43 Mn1.313 Fe.257 Si3 O13 H'
_cod_database_code               9009522
Manganvesuvianite and tweddillite, two new Mn3±silicate minerals from the Kalahari manganese fields, South Africa
Armbruster, T.; Gnos, E.; Dixon, R.; Gutzmer, J.; Hejny, C.; Dobelin, N.; Medenbach, O.; Mineralogical Magazine 66 (2002) 137–150; doi:10.1180/0026461026610018

data_9009523
_publ_section_title
;
 Manganvesuvianite and tweddillite, two new Mn3+-silicate minerals
 from the Kalahari manganese fields, South Africa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              137
_journal_page_last               150
_journal_paper_doi               10.1180/0026461026610018
_journal_volume                  66
_journal_year                    2002
_chemical_compound_source        'Kalahari manganese fields, South Africa'
_chemical_formula_sum            'Al5.15 Ca9.5 H4 Mn1.35 O39 Si9'
_chemical_name_mineral           Manganvesuvianite
_space_group_IT_number           85
_symmetry_space_group_name_Hall  '-P 4a'
_symmetry_space_group_name_H-M   'P 4/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   15.575
_cell_length_b                   15.575
_cell_length_c                   11.824
_cell_formula_units_Z            4
_cell_volume                     2868.273
_database_code_amcsd             0014562
_exptl_crystal_density_diffrn    3.415
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_original_formula_sum        'Ca9.5 Mn1.35 Al5.15 Si9 O39 H4'
_cod_database_code               9009523
Refinement of the atomic structure of baotite and the isomorphic relationships in this mineral
Nekrasov Yu, V.; Ponomarev, V. I.; Simonov, V. I.; Kheiker, D. M.; Soviet Physics Crystallography 14 (1969) 508–514; doi:

data_9009524
_publ_section_title
;
 Refinement of the atomic structure of baotite
 and the isomorphic relationships in this mineral
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              508
_journal_page_last               514
_journal_volume                  14
_journal_year                    1969
_chemical_formula_sum            'Ba4 Cl Fe0.64 Nb1.44 O28 Si4 Ti5.92'
_chemical_name_mineral           Baotite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   19.99
_cell_length_b                   19.99
_cell_length_c                   5.908
_cell_formula_units_Z            4
_cell_volume                     2360.837
_database_code_amcsd             0015552
_exptl_crystal_density_diffrn    4.496
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Ba4 Ti5.92 Nb1.44 Fe.64 Si4 O28 Cl'
_cod_database_code               9009524
Structural study of tochilinite. Part I. The isometric variety Note: M-site reported bond lengths are inconsistent with reported structure
Organova, N. I.; Drits, V. A.; Dmitrik, A. L.; Soviet Physics Crystallography 17 (1973) 667–671; doi:

data_9009525
_publ_section_title
;
 Structural study of tochilinite. Part I. The isometric variety
 Note: M-site reported bond lengths are inconsistent with reported structure
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              667
_journal_page_last               671
_journal_volume                  17
_journal_year                    1973
_chemical_formula_sum            'Fe7.45 H10 Mg3.55 O10 S6'
_chemical_name_mineral           Tochilinite
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'C 1'
_space_group_name_H-M_alt        'C 1'
_symmetry_space_group_name_H-M   'C 1 1 1'
_cell_angle_alpha                90
_cell_angle_beta                 95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.37
_cell_length_b                   15.65
_cell_length_c                   10.72
_cell_volume                     897.486
_database_code_amcsd             0015560
_exptl_crystal_density_diffrn    3.200
_cod_original_sg_symbol_H-M      'C 1 1 1'
_cod_original_formula_sum        'Fe7.45 Mg3.55 S6 (O10 H10)'
_cod_database_code               9009525
Tundrite, Na2Ce2TiO2[SiO4](CO3)2 - refinement of the crystal structure and chemical formula Note: y(O11) adjusted to match reported bond lengths
Shumyatskaya, N. G.; Voronkov, A. A.; Ilyukhin, V. V.; Belov, N. V.; Soviet Physics Crystallography 21 (1976) 399–405; doi:

data_9009526
_publ_section_title
;
 Tundrite, Na2Ce2TiO2[SiO4](CO3)2 -
 refinement of the crystal structure and chemical formula
 Note: y(O11) adjusted to match reported bond lengths
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              399
_journal_page_last               405
_journal_volume                  21
_journal_year                    1976
_chemical_compound_source        'Khibiny Massif, Kola Peninsula, Russia'
_chemical_formula_sum            'C2 Ce2 Na2 O12 Si Ti'
_chemical_name_mineral           Tundrite-(Ce)
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.12
_cell_angle_beta                 70.87
_cell_angle_gamma                100.02
_cell_length_a                   7.560
_cell_length_b                   13.957
_cell_length_c                   5.040
_cell_formula_units_Z            2
_cell_volume                     489.462
_database_code_amcsd             0015572
_exptl_crystal_density_diffrn    4.195
_cod_original_formula_sum        'Na2 Ce2 Ti Si C2 O12'
_cod_database_code               9009526
Identity of ungursaite with calciotantite and synthetic CaTa4O11 Note: displacement parameters taken from ICSD
Yamnova, N. A.; Pushcharovsky D Yu; Voloshin, A. V.; Soviet Physics Crystallography 33 (1988) 498–499; doi:

data_9009527
_publ_section_title
;
 Identity of ungursaite with calciotantite and synthetic CaTa4O11
 Note: displacement parameters taken from ICSD
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              498
_journal_page_last               499
_journal_volume                  33
_journal_year                    1988
_chemical_compound_source        'Kola Peninsula, Russia'
_chemical_formula_sum            'Ca0.94 Na0.06 Nb0.13 O10.97 Ta3.86'
_chemical_name_mineral           Calciotantite
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.245
_cell_length_b                   6.245
_cell_length_c                   12.323
_cell_formula_units_Z            2
_cell_volume                     416.209
_database_code_amcsd             0015587
_exptl_crystal_density_diffrn    7.382
_cod_original_formula_sum        '(Ca.94 Na.06) Ta3.86 Nb.13 O10.97'
_cod_database_code               9009527
The X-ray analysis of the crystal structure of chkalovite
Pyatenko, Y. A.; Bokii, G. B.; Belov, N. V.; Doklady Akademii Nauk SSSR 108 (1956) 1077–1080; doi:

data_9009528
_publ_section_title
;
 The X-ray analysis of the crystal structure of chkalovite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1077
_journal_page_last               1080
_journal_volume                  108
_journal_year                    1956
_chemical_formula_sum            'Be Na2 O6 Si2'
_chemical_name_mineral           Chkalovite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  'F 2 2 -1d'
_symmetry_space_group_name_H-M   'F d d d :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.1
_cell_length_b                   21.1
_cell_length_c                   6.87
_cell_formula_units_Z            24
_cell_volume                     3058.593
_database_code_amcsd             0012436
_exptl_crystal_density_diffrn    2.699
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'Be Si2 Na2 O6'
_cod_database_code               9009528
The crystal structure of aeschynite
Aleksandrov, V. B.; Doklady Akademii Nauk SSSR 142 (1962) 181–184; doi:

data_9009529
_publ_section_title
;
 The crystal structure of aeschynite
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              181
_journal_page_last               184
_journal_volume                  142
_journal_year                    1962
_chemical_compound_source
'Vishnevye Mts, Chelyabinsk Oblast, Southern Urals, Russia'
_chemical_formula_sum
'Ca0.17 Ce0.68 Fe0.06 Mn0.02 Nb1.01 O6 Th0.01 Ti0.99'
_chemical_name_mineral           Aeschynite-(Ce)
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2ab'
_symmetry_space_group_name_H-M   'P b n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.37
_cell_length_b                   11.08
_cell_length_c                   7.56
_cell_formula_units_Z            4
_cell_volume                     449.817
_database_code_amcsd             0012439
_exptl_crystal_density_diffrn    5.111
_cod_original_formula_sum
'Ce.68 Ca.17 Fe.06 Mn.02 Th.01 (Nb1.01 Ti.99) O6'
_cod_database_code               9009529
Crystal structure of wohlerite, Ca2Na(Zr,Nb)[Si2O7](OH)2
Shibaeva, R. I.; Belov, N. V.; Doklady Akademii Nauk SSSR 146 (1963) 897–900; doi:

data_9009530
_publ_section_title
;
 Crystal structure of wohlerite, Ca2Na(Zr,Nb)[Si2O7](OH)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              897
_journal_page_last               900
_journal_volume                  146
_journal_year                    1963
_chemical_formula_sum            'Ca4 F H3 Na2 Nb O17 Si4 Zr'
_chemical_name_mineral           Wohlerite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.95
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.80
_cell_length_b                   10.26
_cell_length_c                   7.26
_cell_volume                     760.866
_database_code_amcsd             0012441
_exptl_crystal_density_diffrn    3.478
_cod_original_formula_sum        'Na2 Ca4 (Zr Nb) Si4 O17 F H3'
_cod_database_code               9009530
Crystal structure of kaynozite Ca2(Y,Tr)2[Si4O12]CO3*H2O Note: z(O3) adjusted to match reported bond lengths
Volodina, G. F.; Rumanova, I. M.; Belov, N. V.; Doklady Akademii Nauk SSSR 149 (1963) 173–175; doi:

data_9009531
_publ_section_title
;
 Crystal structure of kaynozite Ca2(Y,Tr)2[Si4O12]CO3*H2O
 Note: z(O3) adjusted to match reported bond lengths
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              173
_journal_page_last               175
_journal_volume                  149
_journal_year                    1963
_chemical_formula_sum            'C Ca2 O16 Si4 Y2'
_chemical_name_mineral           Kainosite-(Y)
_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                   12.93
_cell_length_b                   14.30
_cell_length_c                   6.73
_cell_formula_units_Z            4
_cell_volume                     1244.370
_database_code_amcsd             0012442
_exptl_crystal_density_diffrn    3.407
_cod_original_formula_sum        'Ca2 Y2 Si4 C O16'
_cod_database_code               9009531
Crystal structure of a new natural borate vimsite Ca[B2O2(OH)4]
Shashkin, D. P.; Simonov, M. A.; Belov, N. V.; Doklady Akademii Nauk SSSR 182 (1968) 821–824; doi:

data_9009532
_publ_section_title
;
 Crystal structure of a new natural borate vimsite Ca[B2O2(OH)4]
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              821
_journal_page_last               824
_journal_volume                  182
_journal_year                    1968
_chemical_formula_sum            'B2 Ca H4 O6'
_chemical_name_mineral           Vimsite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.02
_cell_length_b                   9.71
_cell_length_c                   4.440
_cell_volume                     431.723
_database_code_amcsd             0012447
_exptl_crystal_density_diffrn    2.488
_cod_original_formula_sum        'Ca B2 O6 H4'
_cod_database_code               9009532
Crystal structure of cement phase Y=Ca6[Si2O7][SiO4](OH)2
Ganiev, R. M.; Ilyukhin, V. V.; Belov, N. V.; Doklady Akademii Nauk SSSR 190 (1970) 831–834; doi:

data_9009533
_publ_section_title
;
 Crystal structure of cement phase Y=Ca6[Si2O7][SiO4](OH)2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              831
_journal_page_last               834
_journal_volume                  190
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca6 H2 O13 Si3'
_chemical_name_mineral           Dellaite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.75
_cell_angle_beta                 97.33
_cell_angle_gamma                98.25
_cell_formula_units_Z            2
_cell_length_a                   6.85
_cell_length_b                   6.95
_cell_length_c                   12.9
_cell_volume                     602.506
_database_code_amcsd             0012449
_exptl_crystal_density_diffrn    2.948
_cod_original_formula_sum        'Ca6 Si3 O13 H2'
_cod_database_code               9009533
Crystal structure of calciborite CaB2O4=Ca2[BO3BO]2
Shashkin, D. N.; Simonov, M. A.; Belov, N. V.; Doklady Akademii Nauk SSSR 195 (1970) 345–348; doi:

data_9009534
_publ_section_title
;
 Crystal structure of calciborite CaB2O4=Ca2[BO3BO]2
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              345
_journal_page_last               348
_journal_volume                  195
_journal_year                    1970
_chemical_formula_sum            'B2 Ca O4'
_chemical_name_mineral           Calciborite
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.38
_cell_length_b                   13.82
_cell_length_c                   5.006
_cell_formula_units_Z            8
_cell_volume                     579.753
_database_code_amcsd             0012450
_exptl_crystal_density_diffrn    2.880
_cod_original_formula_sum        'Ca B2 O4'
_cod_database_code               9009534
Utochnennaya kristallicheskaya struktura chkalovita Na2Be[Si2O6]
Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V.; Doklady Akademii Nauk SSSR 225 (1975) 1319–1322; doi:

data_9009535
_publ_section_title
;
 Utochnennaya kristallicheskaya struktura chkalovita Na2Be[Si2O6]
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1319
_journal_page_last               1322
_journal_volume                  225
_journal_year                    1975
_chemical_formula_sum            'Be Na2 O6 Si2'
_chemical_name_mineral           Chkalovite
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   21.129
_cell_length_b                   6.881
_cell_length_c                   21.1880
_cell_formula_units_Z            24
_cell_volume                     3080.495
_database_code_amcsd             0012452
_exptl_crystal_density_diffrn    2.680
_cod_original_formula_sum        'Na2 Be Si2 O6'
_cod_database_code               9009535
Crystal structure of traskite Note: y(OH1) and z(OH1) adjusted to match reported bond lengths
Malinovskii Yu, A.; Pobedimskaya, E. A.; Belov, N. V.; Doklady Akademii Nauk SSSR 229 (1976) 1101–1104; doi:

data_9009536
_publ_section_title
;
 Crystal structure of traskite
 Note: y(OH1) and z(OH1) adjusted to match reported bond lengths
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              1101
_journal_page_last               1104
_journal_volume                  229
_journal_year                    1976
_chemical_formula_sum            'Ba24 Ca Cl6 Fe10 H58 O122 Si24 Ti6'
_chemical_name_mineral           Traskite
_space_group_IT_number           187
_symmetry_space_group_name_Hall  'P -6 2'
_symmetry_space_group_name_H-M   'P -6 m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   17.89
_cell_length_b                   17.89
_cell_length_c                   12.33
_cell_volume                     3417.546
_database_code_amcsd             0012455
_exptl_crystal_density_diffrn    3.440
_cod_original_formula_sum        'Ba24 Ti6 Fe10 Ca Si24 O122 Cl6 H58'
_cod_database_code               9009536