LMucko/crystallography-open-database huggingface dataset:
Short-range constraints on chemical and structural variations in bavenite Sample: 37BAV
Lussier, A. J.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 213–239; doi:

data_9017573
_publ_section_title
;
 Short-range constraints on chemical and structural variations in bavenite
 Sample: 37BAV
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              213
_journal_page_last               239
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Baveno, Italy'
_chemical_formula_sum
'Al1.405 Be2.578 Ca3.956 H2 Na0.027 O28 Si9.017'
_chemical_name_mineral           Bavenite
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.2272
_cell_length_b                   5.0028
_cell_formula_units_Z            4
_cell_length_c                   19.4518
_cell_volume                     2260.319
_database_code_amcsd             0019894
_exptl_crystal_density_diffrn    2.714
_cod_data_source_file            inputs/fixed/downloads/18/18399.cif
_cod_data_source_block           18399
_cod_original_formula_sum        'Na.027 Ca3.956 Si9.017 Be2.578 Al1.405 O28 H2'
_cod_database_code               9017573
Short-range constraints on chemical and structural variations in bavenite Sample: 39BAV
Lussier, A. J.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 213–239; doi:

data_9017574
_publ_section_title
;
 Short-range constraints on chemical and structural variations in bavenite
 Sample: 39BAV
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              213
_journal_page_last               239
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        Norway
_chemical_formula_sum            'Al1.351 Be2.667 Ca4 H2 Na0.018 O28 Si8.982'
_chemical_name_mineral           Bavenite
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.2051
_cell_length_b                   4.9986
_cell_length_c                   19.4375
_cell_formula_units_Z            4
_cell_volume                     2254.614
_database_code_amcsd             0019895
_exptl_crystal_density_diffrn    2.721
_cod_data_source_file            inputs/fixed/downloads/18/18400.cif
_cod_data_source_block           18400
_cod_original_formula_sum        'Na.018 Ca4 Si8.982 Be2.667 Al1.351 O28 H2'
_cod_database_code               9017574
Short-range constraints on chemical and structural variations in bavenite Sample: 40BAV
Lussier, A. J.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 213–239; doi:

data_9017575
_publ_section_title
;
 Short-range constraints on chemical and structural variations in bavenite
 Sample: 40BAV
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              213
_journal_page_last               239
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Lily Pad Lake, Fort Hope, Ontario, Canada'
_chemical_formula_sum            'Al1.02 Be2.942 Ca3.932 H2 Na0.03 O28 Si9.038'
_chemical_name_mineral           Bavenite
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.1895
_cell_length_b                   4.9725
_cell_length_c                   19.4488
_cell_formula_units_Z            4
_cell_volume                     2242.637
_database_code_amcsd             0019896
_exptl_crystal_density_diffrn    2.713
_cod_data_source_file            inputs/fixed/downloads/18/18401.cif
_cod_data_source_block           18401
_cod_original_formula_sum        'Na.03 Ca3.932 Si9.038 Be2.942 Al1.02 O28 H2'
_cod_database_code               9017575
Short-range constraints on chemical and structural variations in bavenite Sample: 41BAV
Lussier, A. J.; Hawthorne, F. C.; Mineralogical Magazine 75 (2011) 213–239; doi:

data_9017576
_publ_section_title
;
 Short-range constraints on chemical and structural variations in bavenite
 Sample: 41BAV
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              213
_journal_page_last               239
_journal_volume                  75
_journal_year                    2011
_chemical_compound_source        'Ekaterinburg (near), Ural, Russia'
_chemical_formula_sum            'Al1.5 Be2.503 Ca3.989 H2 Na0.015 O28 Si8.997'
_chemical_name_mineral           Bavenite
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   23.1961
_cell_length_b                   4.9937
_cell_length_c                   19.4296
_cell_formula_units_Z            4
_cell_volume                     2250.615
_database_code_amcsd             0019897
_exptl_crystal_density_diffrn    2.733
_cod_data_source_file            inputs/fixed/downloads/18/18402.cif
_cod_data_source_block           18402
_cod_original_formula_sum        'Na.015 Ca3.989 Si8.997 Be2.503 Al1.5 O28 H2'
_cod_database_code               9017576
Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the Tsumeb mine, Namibia, and hydrogen bonding in the D2+G3+3(T5+O4)(TO3OH)(OH)6 alunite structures
Cooper, M. A.; Hawthorne, F. C.; Mineralogical Magazine 76 (2012) 839–849; doi:

data_9017577
_publ_section_title
;
 Refinement of the crystal structure of zoned philipsbornite-hidalgoite from the
 Tsumeb mine, Namibia, and hydrogen bonding in the D2+G3+3(T5+O4)(TO3OH)(OH)6
 alunite structures
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              839
_journal_page_last               849
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Tsumeb mine, Namibia'
_chemical_formula_sum            'Al2.55 As1.64 Fe0.45 H7 O14 Pb S0.36'
_chemical_name_mineral           Philipsbornite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   7.1142
_cell_length_b                   7.1142
_cell_length_c                   17.0973
_cell_volume                     749.394
_database_code_amcsd             0020243
_exptl_crystal_density_diffrn    4.431
_cod_data_source_file            inputs/fixed/downloads/18/18459.cif
_cod_data_source_block           18459
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'Pb (Al2.55 Fe.45) (As1.64 S.36) O14 H7'
_cod_database_code               9017577
Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa
Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P.; Mineralogical Magazine 76 (2012) 949–962; doi:

data_9017578
_publ_section_title
;
 Phase transitions in hydroxide perovskites: a Raman spectroscopic study
 of stottite, FeGe(OH)6, to 21 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              949
_journal_page_last               962
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Tsumeb mine, Nambia'
_chemical_formula_sum            'Fe Ge H6 O6'
_chemical_name_mineral           Stottite
_space_group_IT_number           86
_space_group_name_Hall           '-P 4bc'
_space_group_name_H-M_alt        'P 42/n :2'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5520
_cell_length_b                   7.5520
_cell_length_c                   7.4694
_cell_volume                     426.000
_database_code_amcsd             0019858
_exptl_crystal_density_diffrn    3.594
_cod_data_source_file            inputs/fixed/downloads/18/18461.cif
_cod_data_source_block           18461
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'Ge Fe (O6 H6)'
_cod_database_code               9017578
Phase transitions in hydroxide perovskites: a Raman spectroscopic study of stottite, FeGe(OH)6, to 21 GPa Note: this is the preferred structure
Kleppe, A. K.; Welch, M. D.; Crichton, W. A.; Jephcoat, A. P.; Mineralogical Magazine 76 (2012) 949–962; doi:

data_9017579
_publ_section_title
;
 Phase transitions in hydroxide perovskites: a Raman spectroscopic study
 of stottite, FeGe(OH)6, to 21 GPa
 Note: this is the preferred structure
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              949
_journal_page_last               962
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Tsumeb mine, Nambia'
_chemical_formula_sum            'Fe Ge H6 O6'
_chemical_name_mineral           Stottite
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yac'
_space_group_name_H-M_alt        'P 1 2/n 1'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.005
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.5509
_cell_length_b                   7.4695
_cell_length_c                   7.5531
_cell_volume                     426.006
_database_code_amcsd             0019859
_exptl_crystal_density_diffrn    3.594
_cod_data_source_file            inputs/fixed/downloads/18/18462.cif
_cod_data_source_block           18462
_cod_original_formula_sum        'Ge Fe (O6 H6)'
_cod_database_code               9017579
Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 1.6 GPa
Mills, S. J.; Nestola, F.; Mineralogical Magazine 76 (2012) 975–985; doi:

data_9017580
_publ_section_title
;
 Elasticity and high-pressure structure of arsenoflorencite-(La):
 insights into the high-pressure behaviour of the alunite supergroup
 note: P = 1.6 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              975
_journal_page_last               985
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Grupendity Lake cirque, Komi Republic, Russia'
_chemical_formula_sum            'Al2.85 As1.86 Fe0.15 H6 La O14 P0.14'
_chemical_name_mineral           Arsenoflorencite-(La)
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   7.0147
_cell_length_b                   7.0147
_cell_length_c                   16.4461
_cell_volume                     700.829
_database_code_amcsd             0019918
_diffrn_ambient_pressure         1.6e+06
_exptl_crystal_density_diffrn    4.250
_cod_data_source_file            inputs/fixed/downloads/18/18463.cif
_cod_data_source_block           18463
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La (Al2.85 Fe.15) (As1.86 P.14) O14 H6'
_cod_database_code               9017580
Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 3.6 GPa
Mills, S. J.; Nestola, F.; Mineralogical Magazine 76 (2012) 975–985; doi:

data_9017581
_publ_section_title
;
 Elasticity and high-pressure structure of arsenoflorencite-(La):
 insights into the high-pressure behaviour of the alunite supergroup
 note: P = 3.6 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              975
_journal_page_last               985
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Grupendity Lake cirque, Komi Republic, Russia'
_chemical_formula_sum            'Al2.85 As1.86 Fe0.15 H6 La O14 P0.14'
_chemical_name_mineral           Arsenoflorencite-(La)
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   6.9822
_cell_length_b                   6.9822
_cell_length_c                   16.3379
_cell_volume                     689.781
_database_code_amcsd             0019919
_diffrn_ambient_pressure         3.6e+06
_exptl_crystal_density_diffrn    4.318
_cod_data_source_file            inputs/fixed/downloads/18/18464.cif
_cod_data_source_block           18464
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La (Al2.85 Fe.15) (As1.86 P.14) O14 H6'
_cod_database_code               9017581
Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 5.7 GPa
Mills, S. J.; Nestola, F.; Mineralogical Magazine 76 (2012) 975–985; doi:

data_9017582
_publ_section_title
;
 Elasticity and high-pressure structure of arsenoflorencite-(La):
 insights into the high-pressure behaviour of the alunite supergroup
 note: P = 5.7 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              975
_journal_page_last               985
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Grupendity Lake cirque, Komi Republic, Russia'
_chemical_formula_sum            'Al2.85 As1.86 Fe0.15 H6 La O14 P0.14'
_chemical_name_mineral           Arsenoflorencite-(La)
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   6.9538
_cell_length_b                   6.9538
_cell_length_c                   16.2436
_cell_volume                     680.232
_database_code_amcsd             0019920
_diffrn_ambient_pressure         5.7e+06
_exptl_crystal_density_diffrn    4.379
_cod_data_source_file            inputs/fixed/downloads/18/18465.cif
_cod_data_source_block           18465
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La (Al2.85 Fe.15) (As1.86 P.14) O14 H6'
_cod_database_code               9017582
Elasticity and high-pressure structure of arsenoflorencite-(La): insights into the high-pressure behaviour of the alunite supergroup note: P = 7.4 GPa
Mills, S. J.; Nestola, F.; Mineralogical Magazine 76 (2012) 975–985; doi:

data_9017583
_publ_section_title
;
 Elasticity and high-pressure structure of arsenoflorencite-(La):
 insights into the high-pressure behaviour of the alunite supergroup
 note: P = 7.4 GPa
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              975
_journal_page_last               985
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Grupendity Lake cirque, Komi Republic, Russia'
_chemical_formula_sum            'Al2.85 As1.86 Fe0.15 H6 La O14 P0.14'
_chemical_name_mineral           Arsenoflorencite-(La)
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_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                   6.9280
_cell_length_b                   6.9280
_cell_length_c                   16.1770
_cell_volume                     672.426
_database_code_amcsd             0019921
_diffrn_ambient_pressure         7.4e+06
_exptl_crystal_density_diffrn    4.430
_cod_data_source_file            inputs/fixed/downloads/18/18466.cif
_cod_data_source_block           18466
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'La (Al2.85 Fe.15) (As1.86 P.14) O14 H6'
_cod_database_code               9017583
Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7
Plasil, J.; Hauser, J.; Petricek, V.; Meisser, N.; Mills, S. J.; Skoda, R.; Fejfarova, K.; Cejka, J.; Sejkora, J.; Hlousek, J.; Johannet, J. M.; Machovic, V.; Lapcak, L.; Mineralogical Magazine 76 (2012) 2837–2860; doi:

data_9017584
_publ_section_title
;
 Crystal structure and formula revision of deliensite, Fe[(UO2)2(SO4)2(OH)2](H2O)7
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              2837
_journal_page_last               2860
_journal_volume                  76
_journal_year                    2012
_chemical_compound_source        'Jeronym mine, Abertamy, Czech Republic'
_chemical_formula_sum            'Fe0.58 H16 Mg0.27 O21 S2 U2 Zn0.16'
_chemical_name_mineral           Deliensite
_space_group_IT_number           34
_space_group_name_Hall           'P 2 -2n'
_space_group_name_H-M_alt        'P n n 2'
_symmetry_space_group_name_H-M   'P n n 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.8514
_cell_length_b                   16.2478
_cell_length_c                   6.8943
_cell_volume                     1775.630
_database_code_amcsd             0019801
_exptl_crystal_density_diffrn    3.523
_cod_data_source_file            inputs/fixed/downloads/18/18490.cif
_cod_data_source_block           18490
_cod_original_formula_sum        'Fe.58 Mg.27 Zn.16 U2 S2 O21 H16'
_cod_database_code               9017584
On the symmetry and crystal structure of aguilarite, Ag4SeS
Bindi, L.; Pingitore, N. E.; Mineralogical Magazine 77 (2013) 21–31; doi:

data_9017585
_publ_section_title
;
 On the symmetry and crystal structure of aguilarite, Ag4SeS
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              21
_journal_page_last               31
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'San Carlos mine, Guanajuato, Mexico'
_chemical_formula_sum            'Ag2 S0.42 Se0.49 Te0.09'
_chemical_name_mineral           Aguilarite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.103
_cell_angle_gamma                90
_cell_length_a                   4.2478
_cell_length_b                   6.9432
_cell_length_c                   8.0042
_cell_formula_units_Z            4
_cell_volume                     232.410
_database_code_amcsd             0019989
_exptl_crystal_density_diffrn    7.984
_cod_data_source_file            inputs/fixed/downloads/18/18491.cif
_cod_data_source_block           18491
_cod_original_formula_sum        'Ag2 (Se.49 S.42 Te.09)'
_cod_database_code               9017585
Kyzylkumite, Ti2V3+O5(OH): new structure type, modularity and revised formula
Armbruster, T.; Lazic, B.; Reznitsky, L. Z.; Sklyarov, E. V.; Mineralogical Magazine 77 (2013) 33–44; doi:

data_9017586
_publ_section_title
;
 Kyzylkumite, Ti2V3+O5(OH): new structure type, modularity and revised formula
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              33
_journal_page_last               44
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Sludyanka complex, South Baikal, Russia'
_chemical_formula_sum            'Cr0.06 H O6 Ti2 V0.94'
_chemical_name_mineral           Kyzylkumite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 93.174
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.4787
_cell_length_b                   4.5624
_cell_length_c                   10.0330
_cell_volume                     387.513
_database_code_amcsd             0019815
_exptl_crystal_density_diffrn    4.178
_cod_data_source_file            inputs/fixed/downloads/18/18492.cif
_cod_data_source_block           18492
_cod_original_formula_sum        'Ti2 (V.94 Cr.06) O6 H'
_cod_database_code               9017586
Kleberite, Fe3+Ti6O11(OH)5, a new ilmenite alteration product, from Konigshain, northeast Germany
Grey, I. E.; Steinike, K.; MacRae, C. M.; Mineralogical Magazine 77 (2013) 45–55; doi:

data_9017587
_publ_section_title
;
 Kleberite, Fe3+Ti6O11(OH)5, a new ilmenite alteration product,
 from Konigshain, northeast Germany
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              45
_journal_page_last               55
_journal_volume                  77
_journal_year                    2013
_chemical_compound_source        'Konigshain, northeast Germany'
_chemical_formula_sum            'Fe0.26 H1.25 O4 Ti1.47'
_chemical_name_mineral           Kleberite
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 131.02
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.537
_cell_length_b                   4.5795
_cell_length_c                   9.885
_cell_volume                     257.419
_database_code_amcsd             0019794
_exptl_crystal_density_diffrn    3.875
_cod_data_source_file            inputs/fixed/downloads/18/18493.cif
_cod_data_source_block           18493
_cod_original_formula_sum        'Ti1.47 Fe.26 O4 H1.25'
_cod_database_code               9017587