LMucko/crystallography-open-database huggingface dataset:
Londonite from the Urals, and new aspects of the crystal chemistry of the rhodozite-londonite series, Note: sample FMM-32135
Pekov, I. V.; Yakubovich, O. V.; Massa, W.; Chukanov, N. V.; Kononkova, N. N.; Agakhanov, A. A.; Karpenko, V. Y.; The Canadian Mineralogist 48 (2010) 241–254; doi:10.3749/canmin.48.2.241

data_9014147
_publ_section_title
;
 Londonite from the Urals, and new aspects of the crystal chemistry
 of the rhodozite-londonite series,
 Note: sample FMM-32135
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              241
_journal_page_last               254
_journal_paper_doi               10.3749/canmin.48.2.241
_journal_volume                  48
_journal_year                    2010
_chemical_compound_source
'Ministerskaya Yama Pit, Sarapulka pegmatite field, Russia'
_chemical_formula_sum            'Al4 B10.8 Be4.84 Cs0.553 K0.332 O28'
_chemical_name_mineral           Londonite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.3149
_cell_length_b                   7.3149
_cell_length_c                   7.3149
_cell_formula_units_Z            1
_cell_volume                     391.404
_database_code_amcsd             0006327
_exptl_crystal_density_diffrn    3.406
_cod_original_formula_sum        'Cs.553 K.332 Al4 B10.8 Be4.84 O28'
_cod_database_code               9014147
A single crystal X-ray study of a sulphate-bearing buttgenbachite, Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination of the crystal chemistry of the buttgenbachite-connellite series Note: T = 100 K
Hibbs, D. E.; Leverett, P.; Williams, P. A.; Mineralogical Magazine 67 (2003) 47–60; doi:10.1180/0026461036710083

data_9014148
_publ_section_title
;
 A single crystal X-ray study of a sulphate-bearing buttgenbachite,
 Cu36Cl7.8(NO3)1.3(SO4)0.35(OH)62.2*5.2H2O, and a re-examination
 of the crystal chemistry of the buttgenbachite-connellite series
 Note: T = 100 K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              47
_journal_page_last               60
_journal_paper_doi               10.1180/0026461036710083
_journal_volume                  67
_journal_year                    2003
_chemical_compound_source        'Likasi, Democratic Republic of Congo'
_chemical_formula_sum            'Cl3.9 Cu18 H34.32 N0.66 O36.36 S0.18'
_chemical_name_mineral           Buttgenbachite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   15.739
_cell_length_b                   15.739
_cell_length_c                   9.127
_cell_volume                     1958.001
_database_code_amcsd             0018302
_exptl_crystal_density_diffrn    3.245
_cod_original_formula_sum        'Cu18 Cl3.9 O36.36 N.66 S.18 H34.32'
_cod_database_code               9014148
The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4, from Jachymov, Czech Republic
Plasil, J.; Mills, S. J.; Fejfarova, K.; Dusek, M.; Novak, M.; Skoda, R.; Cejka, J.; Sejkora, J.; The Canadian Mineralogist 49 (2011) 1089–1103; doi:10.3749/canmin.49.4.1089

data_9014149
_publ_section_title
;
 The crystal structure of natural zippeite, K1.85H+0.15[(UO2)4O2(SO4)2(OH)2](H2O)4,
 from Jachymov, Czech Republic
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1089
_journal_page_last               1103
_journal_paper_doi               10.3749/canmin.49.4.1089
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        'Jachymov, Czech Republic'
_chemical_formula_sum            'H5.08 K0.92 O12 S U2'
_chemical_name_mineral           Zippeite
_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                 104.524
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7802
_cell_length_b                   13.9903
_cell_length_c                   8.8630
_cell_volume                     1053.918
_database_code_amcsd             0018658
_exptl_crystal_density_diffrn    4.671
_cod_original_formula_sum        'U2 S K.92 H5.08 O12'
_cod_database_code               9014149
The effect of oxygen vacancies and aluminium substitution on the high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5 Note: x = 0.55 Note: P = 7.73 GPa
Vanpeteghem, C. B.; Angel, R. J.; Zhao, J.; Ross, N. L.; Redhammer, G. J.; Seifert, F.; Physics and Chemistry of Minerals 35 (2008) 493–504; doi:10.1007/s00269-008-0244-4

data_9014150
_publ_section_title
;
 The effect of oxygen vacancies and aluminium substitution on the
 high-pressure properties of brownmillerite-structured Ca2Fe2-xAlxO5
 Note: x = 0.55
 Note: P = 7.73 GPa
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              493
_journal_page_last               504
_journal_paper_doi               10.1007/s00269-008-0244-4
_journal_volume                  35
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al0.55 Ca2 Fe1.45 O5'
_chemical_name_mineral           Brownmillerite
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I -2b 2'
_symmetry_space_group_name_H-M   'I 2 m b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.2866
_cell_length_b                   14.3321
_cell_length_c                   5.5163
_cell_formula_units_Z            4
_cell_volume                     417.959
_database_code_amcsd             0017776
_exptl_crystal_density_diffrn    4.068
_cod_original_formula_sum        'Ca2 (Fe1.45 Al.55) O5'
_cod_database_code               9014150
Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
Istomin, S. Y.; D'yachenko, O. G.; Antipov, E. V.; Svensson, G.; Nygren, M.; Materials Research Bulletin 29 (1994) 743–749; doi:10.1016/0025-5408(94)90199-6

data_9014151
_publ_section_title
;
 Synthesis and characterisation of reduced niobates [Sr1-xLnxNb2O6, Ln = La, Nd]
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              743
_journal_page_last               749
_journal_paper_doi               10.1016/0025-5408(94)90199-6
_journal_volume                  29
_journal_year                    1994
_chemical_compound_source        Synthetic
_chemical_formula_sum            'La0.4 Nb2 O6 Sr0.6'
_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                   11.055
_cell_length_b                   7.658
_cell_length_c                   5.578
_cell_formula_units_Z            4
_cell_volume                     472.229
_database_code_amcsd             0018966
_exptl_crystal_density_diffrn    5.485
_cod_original_formula_sum        '(Sr.6 La.4) Nb2 O6'
_cod_database_code               9014151
_amcsd_formula_title             Sr0.6La0.4Nb2O6
Combined single-crystal X-ray and neutron powder diffraction structure analysis exemplified through full structure determinations of framework and layer beryllate minerals
Armstrong, J. A.; Friis, H.; Lieb, A.; Finch, A. A.; Weller, M. T.; American Mineralogist 95 (2010) 519–526; doi:10.2138/am.2010.3276

data_9014152
_publ_section_title
;
 Combined single-crystal X-ray and neutron powder diffraction structure analysis
 exemplified through full structure determinations of
 framework and layer beryllate minerals
;
_journal_name_full               'American Mineralogist'
_journal_page_first              519
_journal_page_last               526
_journal_paper_doi               10.2138/am.2010.3276
_journal_volume                  95
_journal_year                    2010
_chemical_compound_source        'Vesle Aroya, Langesundsfjord, Norway'
_chemical_formula_sum            'Al2.66 Be2 F2 K0.46 Na6.2 O39 Si15.34'
_chemical_name_mineral           Leifite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   14.3446
_cell_length_b                   14.3446
_cell_length_c                   4.8455
_cell_volume                     863.468
_database_code_amcsd             0005040
_exptl_crystal_density_diffrn    2.583
_cod_original_formula_sum        'Na6.2 K.46 Si15.34 Al2.66 Be2 O39 F2'
_cod_database_code               9014152
Hydrothermal synthesis and single-crystal X-ray structure refinement of three borates: sibirskite, parasibirskite and priceite Note: T = 295 K
Sun, W.; Huang, Y.-X.; Li, Z.; Pan, Y.; Mi, J.-X.; The Canadian Mineralogist 49 (2011) 823–834; doi:10.3749/canmin.49.3.823

data_9014153
_publ_section_title
;
 Hydrothermal synthesis and single-crystal X-ray structure refinement of
 three borates: sibirskite, parasibirskite and priceite
 Note: T = 295 K
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              823
_journal_page_last               834
_journal_paper_doi               10.3749/canmin.49.3.823
_journal_volume                  49
_journal_year                    2011
_chemical_compound_source        Synthetic
_chemical_formula_sum            'B Ca H O3'
_chemical_name_mineral           Parasibirksite
_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                 93.048
_cell_angle_gamma                90
_cell_length_a                   6.6994
_cell_length_b                   5.4269
_cell_length_c                   3.5534
_cell_formula_units_Z            2
_cell_volume                     129.008
_database_code_amcsd             0018464
_exptl_crystal_density_diffrn    2.572
_cod_original_formula_sum        'Ca H B O3'
_cod_database_code               9014153
Structure cristalline du trimetaphosphate mixte de nickelpotassium heptahydrate, Ni K4 (P3 O9)2 (H2 O)7, et donnees cristallographiques de Co K4 (P3 O9)2 (H2 O)7
Seethanen, D.; Tordjman, I.; Averbuch-Pouchot M; Acta Crystallographica, Section B 34 (1978) 2387–2390; doi:10.1107/S0567740878008298

data_9014154
_publ_section_title
;
 Structure cristalline du trimetaphosphate mixte de nickelpotassium
 heptahydrate,  Ni K4 (P3 O9)2 (H2 O)7, et donnees
 cristallographiques de Co K4 (P3 O9)2 (H2 O)7
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              2387
_journal_page_last               2390
_journal_paper_doi               10.1107/S0567740878008298
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'K4 Ni O25 P6'
_space_group_IT_number           42
_symmetry_space_group_name_Hall  'F -2 -2'
_symmetry_space_group_name_H-M   'F m 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.03
_cell_length_b                   11.882
_cell_length_c                   8.732
_cell_formula_units_Z            4
_cell_volume                     2389.446
_database_code_amcsd             0015974
_exptl_crystal_density_diffrn    2.226
_cod_duplicate_entry             1008027
_cod_original_formula_sum        'Ni K4 P6 O25'
_cod_database_code               9014154
_amcsd_formula_title             'H14 K4 Ni O25 P6'
Contribution to the crystal chemistry of tetrametaphosphates (I). _cod_database_code 1007172
Averbuch-Pouchot M; Durif, A.; Journal of Solid State Chemistry 58 (1985) 119–132; doi:10.1016/0022-4596(85)90275-0

data_9014155
_publ_section_title
;
 Contribution to the crystal chemistry of tetrametaphosphates (I).
 _cod_database_code 1007172
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              119
_journal_page_last               132
_journal_paper_doi               10.1016/0022-4596(85)90275-0
_journal_volume                  58
_journal_year                    1985
_chemical_formula_sum            'H2 K2 O7 P2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                97.37
_cell_angle_beta                 95.43
_cell_angle_gamma                88.84
_cell_length_a                   8.165
_cell_length_b                   8.228
_cell_length_c                   11.154
_cell_formula_units_Z            4
_cell_volume                     739.793
_database_code_amcsd             0013548
_exptl_crystal_density_diffrn    2.282
_cod_duplicate_entry             1007172
_cod_original_formula_sum        'K2 P2 O7 H2'
_cod_database_code               9014155
_amcsd_formula_title             'H4 K4 O14 P4'
Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3 Note: P = 30 GPa
Santamaria-Perez D; Nuss, J.; Haines, J.; Jansen, M.; Vegas, A.; Solid State Sciences 6 (2004) 673–678; doi:10.1016/j.solidstatesciences.2004.03.027

data_9014156
_publ_section_title
;
 Iron silicides and their corresponding oxides: a high-pressure study of Fe5Si3
 Note: P = 30 GPa
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              673
_journal_page_last               678
_journal_paper_doi               10.1016/j.solidstatesciences.2004.03.027
_journal_volume                  6
_journal_year                    2004
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe5 Si3'
_chemical_name_mineral           Xifengite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.5412
_cell_length_b                   6.5412
_cell_length_c                   4.558
_cell_formula_units_Z            2
_cell_volume                     168.896
_database_code_amcsd             0019681
_exptl_crystal_density_diffrn    7.147
_cod_database_code               9014156
Crystal structure of carpholite MnAl2(Si2O6)(OH)4
Naumova, I. S.; Pobedimskaya, E. A.; Belov, N. V.; Kristallografiya 19 (1974) 1155–1160; doi:

data_9014157
_publ_section_title
;
 Crystal structure of carpholite MnAl2(Si2O6)(OH)4
;
_journal_name_full               Kristallografiya
_journal_page_first              1155
_journal_page_last               1160
_journal_volume                  19
_journal_year                    1974
_chemical_formula_sum            'Al2 H4 Mn O10 Si2'
_chemical_name_mineral           Carpholite
_space_group_IT_number           68
_symmetry_space_group_name_Hall  '-C 2a 2ac'
_symmetry_space_group_name_H-M   'C c c a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.831
_cell_length_b                   20.296
_cell_length_c                   5.121
_cell_volume                     1437.536
_database_code_amcsd             0017756
_exptl_crystal_density_diffrn    3.041
_cod_original_sg_symbol_H-M      'C c c a'
_cod_original_formula_sum        'Mn Al2 Si2 (O10 H4)'
_cod_database_code               9014157
The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt pairs and the relation to terrestrial mantle V and Cr content Note: R060477
Righter, K.; Sutton, S.; Danielson, L.; Pando, K.; Schmidt, G.; Yang, H.; Berthet, S.; Newville, M.; Choi, Y.; Downs, R. T.; Malavergne, V.; American Mineralogist 96 (2011) 1278–1290; doi:10.2138/am.2011.3690

data_9014158
_publ_section_title
;
 The effect of fO2 on the partitioning and valence of V and Cr in garnet/melt
 pairs and the relation to terrestrial mantle V and Cr content
 Note: R060477
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1278
_journal_page_last               1290
_journal_paper_doi               10.2138/am.2011.3690
_journal_volume                  96
_journal_year                    2011
_chemical_compound_source
'Saranovskiy mine, Sarany, Ural Mountains, Russia'
_chemical_formula_sum            'Al0.82 Ca3 Cr1.15 O12 Si3 Ti0.03'
_chemical_name_mineral           Uvarovite
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.9204
_cell_length_b                   11.9204
_cell_length_c                   11.9204
_cell_formula_units_Z            8
_cell_volume                     1693.840
_database_code_amcsd             0018455
_exptl_crystal_density_diffrn    3.763
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 (Cr1.15 Al.82 Ti.03) Si3 O12'
_cod_database_code               9014158
Refinement of Mn-substituted muscovite and phlogopite Sample: manganophyllite, type 1M
Knurr, R. A.; Bailey, S. W.; Clays and Clay Minerals 34 (1986) 7–16; doi:10.1346/CCMN.1986.0340102

data_9014159
_publ_section_title
;
 Refinement of Mn-substituted muscovite and phlogopite
 Sample: manganophyllite, type 1M
;
_journal_name_full               'Clays and Clay Minerals'
_journal_page_first              7
_journal_page_last               16
_journal_paper_doi               10.1346/CCMN.1986.0340102
_journal_volume                  34
_journal_year                    1986
_chemical_compound_source        'Langban, Sweden'
_chemical_formula_sum
'Al1.32 Ba0.02 F0.1 Fe0.18 H1.9 K0.84 Mg2.52 Mn0.12 Na0.07 O11.9 Si2.8 Ti0.03'
_chemical_name_mineral           Phlogopite
_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                 99.90
_cell_angle_gamma                90
_cell_length_a                   5.316
_cell_length_b                   9.221
_cell_length_c                   10.282
_cell_formula_units_Z            2
_cell_volume                     496.507
_database_code_amcsd             0019598
_exptl_crystal_density_diffrn    2.843
_cod_original_formula_sum
'K.84 Na.07 Ba.02 Mg2.52 Fe.18 Mn.12 Al1.32 Ti.03 Si2.8 O11.9 F.1 H1.9'
_cod_database_code               9014159
The structure of vanadium-bearing tourmaline and its implications regarding tourmaline solid solutions
Foit, F. F.; Rosenberg, P. E.; American Mineralogist 64 (1979) 788–798; doi:

data_9014160
_publ_section_title
;
 The structure of vanadium-bearing tourmaline and its implications regarding
 tourmaline solid solutions
;
_journal_name_full               'American Mineralogist'
_journal_page_first              788
_journal_page_last               798
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Silver Knob, Mariposa County, California, USA'
_chemical_formula_sum
'Al5.94 B3 Ca0.36 Cr0.18 Fe0.18 H4 Mg2.04 Na0.46 O31 Si5.64 Ti0.06 V1.11'
_chemical_name_mineral           Dravite
_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                   15.967
_cell_length_b                   15.967
_cell_length_c                   7.191
_cell_volume                     1587.693
_database_code_amcsd             0000739
_exptl_crystal_density_diffrn    3.152
_cod_original_sg_symbol_H-M      'R 3 m'
_cod_original_formula_sum
'Na.46 Ca.36 Mg2.04 V1.11 Cr.18 Fe.18 Al5.94 Ti.06 Si5.64 B3 O31 H4'
_cod_database_code               9014160
Etude comparative des structures Mx W O3 de type bronze hexagonal. II. Evolution structurale dans la serie des bronzes Inx W O3 (x equals a number between 0.12 and 0.33)
Labbe, P.; Goreaud, M.; Raveau, B.; Monier, J.; Acta Crystallographica, Section B 35 (1979) 1557–1564; doi:10.1107/S0567740879007123

data_9014161
_publ_section_title
;
 Etude comparative des structures Mx W O3 de type bronze hexagonal.
 II. Evolution structurale dans la serie des bronzes Inx W O3
 (x equals a number between 0.12 and 0.33)
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              1557
_journal_page_last               1564
_journal_paper_doi               10.1107/S0567740879007123
_journal_volume                  35
_journal_year                    1979
_chemical_formula_sum            'In0.844 O9 W3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   7.3673
_cell_length_b                   7.3673
_cell_length_c                   7.5020
_cell_formula_units_Z            2
_cell_volume                     352.634
_database_code_amcsd             0009680
_exptl_crystal_density_diffrn    7.463
_cod_duplicate_entry             1001044
_cod_original_formula_sum        'W3 O9 In.844'
_cod_database_code               9014161
_amcsd_formula_title             'In0.28 O3 W'
The ASnO3 (A = Ca, Sr) perovskites
Vegas, A.; Vallet-Regi M; Gonzalez-Calbet J M; Alario-Franco M A; Acta Crystallographica, Section B 42 (1986) 167–172; doi:10.1107/S0108768186098403

data_9014162
_publ_section_title
;
 The ASnO3 (A = Ca, Sr) perovskites
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              167
_journal_page_last               172
_journal_paper_doi               10.1107/S0108768186098403
_journal_volume                  42
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O3 Sn Sr'
_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                   5.707
_cell_length_b                   5.707
_cell_length_c                   8.064
_cell_formula_units_Z            4
_cell_volume                     262.643
_database_code_amcsd             0018626
_exptl_crystal_density_diffrn    6.432
_cod_original_formula_sum        'Sr Sn O3'
_cod_database_code               9014162
_amcsd_formula_title             SrSnO3