LMucko/crystallography-open-database huggingface dataset:
The atomic arrangement of ojuelaite, ZnFe(3+)2(AsO4)2(OH)2*4H2O
Hughes, J. M.; Bloodaxe, E. S.; Kobel, K. D.; Drexler, J. W.; Mineralogical Magazine 60 (1996) 519–521; doi:10.1180/minmag.1996.060.400.15

data_9011801
_publ_section_title
;
 The atomic arrangement of ojuelaite, ZnFe(3+)2(AsO4)2(OH)2*4H2O
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              519
_journal_page_last               521
_journal_paper_doi               10.1180/minmag.1996.060.400.15
_journal_volume                  60
_journal_year                    1996
_chemical_compound_source        'Ojuela mine, Mapimi, Mexico'
_chemical_formula_sum            'As2 Fe2 H10 O14 Zn'
_chemical_name_mineral           Ojuelaite
_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                 94.36
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.237
_cell_length_b                   9.662
_cell_length_c                   5.562
_cell_volume                     548.545
_database_code_amcsd             0014519
_exptl_crystal_density_diffrn    3.396
_cod_original_formula_sum        'Zn Fe2 As2 O14 H10'
_cod_database_code               9011801
Crystal structure refinement of matlockite
Pasero, M.; Perchiazzi, N.; Mineralogical Magazine 60 (1996) 833–836; doi:10.1180/minmag.1996.060.402.15

data_9011802
_publ_section_title
;
 Crystal structure refinement of matlockite
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              833
_journal_page_last               836
_journal_paper_doi               10.1180/minmag.1996.060.402.15
_journal_volume                  60
_journal_year                    1996
_chemical_compound_source        'Baratti beach, Tuscany, Italy'
_chemical_formula_sum            'Cl F Pb'
_chemical_name_mineral           Matlockite
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.110
_cell_length_b                   4.110
_cell_length_c                   7.246
_cell_formula_units_Z            2
_cell_volume                     122.400
_database_code_amcsd             0014521
_exptl_crystal_density_diffrn    7.099
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Pb F Cl'
_cod_database_code               9011802
Leucite-pollucite structure-type variability and the structure of a synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O))
Henderson, C. M. B.; Bell, A. M. T.; Kohn, S. C.; Page, C. S.; Mineralogical Magazine 62 (1998) 165–178; doi:10.1180/002646198547558

data_9011803
_publ_section_title
;
 Leucite-pollucite structure-type variability and the structure of a
 synthetic end-member calcium wairakite (CaAl2Si4O12*2(H2O))
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              165
_journal_page_last               178
_journal_paper_doi               10.1180/002646198547558
_journal_volume                  62
_journal_year                    1998
_chemical_formula_sum            'Al Ca0.5 H2 O7 Si2'
_chemical_name_mineral           Wairakite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2ya'
_symmetry_space_group_name_H-M   'I 1 2/a 1'
_cell_angle_alpha                90.
_cell_angle_beta                 90.46
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.694
_cell_length_b                   13.644
_cell_length_c                   13.576
_cell_volume                     2536.471
_database_code_amcsd             0014533
_exptl_crystal_density_diffrn    2.275
_cod_original_sg_symbol_H-M      'I 2/a'
_cod_original_formula_sum        'Ca.5 Al Si2 O7 H2'
_cod_database_code               9011803
Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with leadhillite Locality: Leadhills-Wanlockhead orefield, Scotland Note: space group changed from Pcab to Pbca
Steele, I. M.; Pluth, J. J.; Livingstone, A.; Mineralogical Magazine 62 (1998) 451–459; doi:10.1180/002646198547828

data_9011804
_publ_section_title
;Crystal structure of macphersonite (Pb4SO4(CO3)2(OH)2): comparison with
 leadhillite Locality: Leadhills-Wanlockhead orefield, Scotland Note: space
 group changed from Pcab to Pbca
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              451
_journal_page_last               459
_journal_paper_doi               10.1180/002646198547828
_journal_volume                  62
_journal_year                    1998
_chemical_compound_source        'Leadhills-Wanlockhead orefield, Scotland'
_chemical_formula_sum            'C2 H2 O12 Pb4 S'
_chemical_name_mineral           Macphersonite
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   9.242
_cell_length_b                   23.050
_cell_length_c                   10.383
_cell_volume                     2211.871
_database_code_amcsd             0014534
_exptl_crystal_density_diffrn    6.480
_cod_original_formula_sum        'Pb4 S (O12 C2) H2'
_cod_database_code               9011804
Silvialite, a new sulfate-dominant member of the scapolite group with an Al-Si composition near the I4/m-P42/n phase transition
Teertstra, D. K.; Schindler, M.; Sherriff, B. L.; Hawthorne, F. C.; Mineralogical Magazine 63 (1999) 321–329; doi:10.1180/002646199548547

data_9011805
_publ_section_title
;
 Silvialite, a new sulfate-dominant member of the scapolite group with
 an Al-Si composition near the I4/m-P42/n phase transition
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              321
_journal_page_last               329
_journal_paper_doi               10.1180/002646199548547
_journal_volume                  63
_journal_year                    1999
_chemical_compound_source        'McBride Province, Australia'
_chemical_formula_sum
'C0.478 Al4.872 Ca2.452 Na1.548 O27.524 S0.522 Si7.128'
_chemical_name_mineral           Silvialite
_space_group_IT_number           87
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.160
_cell_length_b                   12.160
_cell_length_c                   7.560
_cell_formula_units_Z            2
_cell_volume                     1117.864
_database_code_amcsd             0014537
_exptl_crystal_density_diffrn    2.758
_cod_original_formula_sum
'(Na1.548 Ca2.452) (Al4.872 Si7.128) (S.522 C.478) O27.524'
_cod_database_code               9011805
Crystal structure and revision of the chemical formula of georgiadesite, Pb4(AsO3)Cl4(OH)
Pasero, M.; Vacchiano, D.; Mineralogical Magazine 64 (2000) 879–884; doi:10.1180/002646100549869

data_9011806
_publ_section_title
;
 Crystal structure and revision of the chemical formula of georgiadesite,
 Pb4(AsO3)Cl4(OH)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              879
_journal_page_last               884
_journal_paper_doi               10.1180/002646100549869
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Laurion, Attica, Greece'
_chemical_formula_sum            'As Cl4 H O4 Pb4'
_chemical_name_mineral           Georgiadesite
_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                 102.57
_cell_angle_gamma                90
_cell_length_a                   13.765
_cell_length_b                   7.896
_cell_length_c                   10.804
_cell_formula_units_Z            4
_cell_volume                     1146.124
_database_code_amcsd             0014543
_exptl_crystal_density_diffrn    6.436
_cod_original_formula_sum        'Pb4 As Cl4 O4 H'
_cod_database_code               9011806
Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite structure Locality: Leadhills, Scotland
Steele, I. M.; Pluth, J. J.; Livingstone, A.; Mineralogical Magazine 64 (2000) 915–921; doi:10.1180/002646100549742

data_9011807
_publ_section_title
;Crystal structure of mattheddleite: a Pb, S, Si phase with the apatite
 structure Locality: Leadhills, Scotland
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              915
_journal_page_last               921
_journal_paper_doi               10.1180/002646100549742
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Leadhills, Scotland'
_chemical_formula_sum            'Cl0.57 H0.43 O12.43 Pb5 S1.5 Si1.5'
_chemical_name_mineral           Mattheddleite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.0056
_cell_length_b                   10.0056
_cell_length_c                   7.4960
_cell_volume                     649.900
_database_code_amcsd             0014546
_exptl_crystal_density_diffrn    6.877
_cod_original_formula_sum        'Pb5 (Si1.5 S1.5) O12.43 (Cl.57 H.43)'
_cod_database_code               9011807
In situ high temperature single crystal X-ray diffraction study of a natural omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at room temperature (T=298K)
Pavese, A.; Bocchio, R.; Ivaldi, G.; Mineralogical Magazine 64 (2000) 983–993; doi:10.1180/002646100549986

data_9011808
_publ_section_title
;In situ high temperature single crystal X-ray diffraction study of a natural
 omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at
 room temperature (T=298K)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              983
_journal_page_last               993
_journal_paper_doi               10.1180/002646100549986
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Gorduno, Lepontine Alps, Switzerland'
_chemical_formula_sum            'Al0.51 Ca0.5 Fe0.06 Mg0.46 Na0.5 O6 Si1.97'
_chemical_name_mineral           Omphacite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.96
_cell_angle_gamma                90
_cell_length_a                   9.569
_cell_length_b                   8.759
_cell_length_c                   5.256
_cell_formula_units_Z            4
_cell_volume                     421.372
_database_code_amcsd             0014547
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.328
_cod_original_formula_sum        '(Ca.5 Na.5) Mg.46 Al.51 Fe.06 Si1.97 O6'
_cod_database_code               9011808
In situ high temperature single crystal X-ray diffraction study of a natural omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at high temperature (T=1073K)
Pavese, A.; Bocchio, R.; Ivaldi, G.; Mineralogical Magazine 64 (2000) 983–993; doi:10.1180/002646100549986

data_9011809
_publ_section_title
;In situ high temperature single crystal X-ray diffraction study of a natural
 omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at
 high temperature (T=1073K)
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              983
_journal_page_last               993
_journal_paper_doi               10.1180/002646100549986
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Gorduno, Lepontine Alps, Switzerland'
_chemical_formula_sum            'Al0.51 Ca0.5 Fe0.06 Mg0.46 Na0.5 O6 Si1.97'
_chemical_name_mineral           Omphacite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.06
_cell_angle_gamma                90
_cell_length_a                   9.627
_cell_length_b                   8.846
_cell_length_c                   5.282
_cell_formula_units_Z            4
_cell_volume                     430.025
_database_code_amcsd             0014548
_diffrn_ambient_temperature      1073
_exptl_crystal_density_diffrn    3.261
_cod_original_formula_sum        '(Ca.5 Na.5) Mg.46 Al.51 Fe.06 Si1.97 O6'
_cod_database_code               9011809
In situ high temperature single crystal X-ray diffraction study of a natural omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at room temperature (T=298K), after being heated to 1073K
Pavese, A.; Bocchio, R.; Ivaldi, G.; Mineralogical Magazine 64 (2000) 983–993; doi:10.1180/002646100549986

data_9011810
_publ_section_title
;In situ high temperature single crystal X-ray diffraction study of a natural
 omphacite Locality: Gorduno, Lepontine Alps, Switzerland Note: structure at
 room temperature (T=298K), after being heated to 1073K
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              983
_journal_page_last               993
_journal_paper_doi               10.1180/002646100549986
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        'Gorduno, Lepontine Alps, Switzerland'
_chemical_formula_sum            'Al0.51 Ca0.5 Fe0.06 Mg0.46 Na0.5 O6 Si1.97'
_chemical_name_mineral           Omphacite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 106.90
_cell_angle_gamma                90
_cell_length_a                   9.563
_cell_length_b                   8.776
_cell_length_c                   5.254
_cell_formula_units_Z            4
_cell_volume                     421.899
_database_code_amcsd             0014549
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    3.324
_exptl_crystal_thermal_history   'heated to 1073K'
_cod_original_formula_sum        '(Ca.5 Na.5) Mg.46 Al.51 Fe.06 Si1.97 O6'
_cod_database_code               9011810
Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic shannonite, Pb2O(CO3) Locality: synthetic
Krivovichev, S. V.; Burns, P. C.; Mineralogical Magazine 64 (2000) 1063–1068; doi:10.1180/002646100550065

data_9011811
_publ_section_title
;Crystal chemistry of basic lead carbonates. I. Crystal structure of synthetic
 shannonite, Pb2O(CO3) Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1063
_journal_page_last               1068
_journal_paper_doi               10.1180/002646100550065
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_structural     Pb2(CO3)O
_chemical_formula_sum            'C O4 Pb2'
_chemical_name_mineral           Shannonite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1465
_cell_length_b                   9.014
_cell_length_c                   9.315
_cell_formula_units_Z            4
_cell_volume                     432.128
_database_code_amcsd             0014550
_exptl_crystal_density_diffrn    7.538
_cod_original_formula_sum        'Pb2 C O4'
_cod_database_code               9011811
Crystal chemistry of basic lead carbonates. III. Crystal structures of Pb3O2(CO3) and NaPb2(OH)(CO3)2
Krivovichev, S. V.; Burns, P. C.; Mineralogical Magazine 64 (2000) 1077–1087; doi:10.1180/002646100549896

data_9011812
_publ_section_title
;
 Crystal chemistry of basic lead carbonates. III. Crystal structures of
 Pb3O2(CO3) and NaPb2(OH)(CO3)2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1077
_journal_page_last               1087
_journal_paper_doi               10.1180/002646100549896
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_structural     Pb3O2(CO3)
_chemical_formula_sum            'C O5 Pb3'
_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                   22.194
_cell_length_b                   9.108
_cell_length_c                   5.7405
_cell_formula_units_Z            8
_cell_volume                     1160.402
_database_code_amcsd             0014552
_exptl_crystal_density_diffrn    8.169
_cod_original_cell_volume        1160.401
_cod_original_formula_sum        'Pb3 C O5'
_cod_database_code               9011812
_amcsd_formula_title             Pb3O2(CO3)
Crystal chemistry of basic lead carbonates. III. Crystal structures of Pb3O2(CO3) and NaPb2(OH)(CO3)2
Krivovichev, S. V.; Burns, P. C.; Mineralogical Magazine 64 (2000) 1077–1087; doi:10.1180/002646100549896

data_9011813
_publ_section_title
;
 Crystal chemistry of basic lead carbonates. III. Crystal structures of
 Pb3O2(CO3) and NaPb2(OH)(CO3)2
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1077
_journal_page_last               1087
_journal_paper_doi               10.1180/002646100549896
_journal_volume                  64
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_structural     NaPb2(OH)(CO3)2
_chemical_formula_sum            'C2 H Na O7 Pb2'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.276
_cell_length_b                   5.276
_cell_length_c                   13.474
_cell_volume                     324.816
_database_code_amcsd             0014553
_exptl_crystal_density_diffrn    5.873
_cod_original_cell_volume        324.815
_cod_original_formula_sum        'Na Pb2 (O7 C2) H'
_cod_database_code               9011813
_amcsd_formula_title             NaPb2(OH)(CO3)2
Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic Na-analogue of piypite (caratiite) Locality; synthetic
Kahlenberg, V.; Piotrowski, A.; Giester, G.; Mineralogical Magazine 64 (2000) 1099–1108; doi:10.1180/002646100549913

data_9011814
_publ_section_title
;
 Crystal structure of Na4[Cu4O2(SO4)4]*MeCl (Me: Na, Cu, vac) - the synthetic
 Na-analogue of piypite (caratiite)
 Locality; synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              1099
_journal_page_last               1108
_journal_paper_doi               10.1180/002646100549913
_journal_volume                  64
_journal_year                    2000
_chemical_formula_sum            'Cl Cu4.37 Na4.26 O18 S4'
_chemical_name_mineral           Piypite
_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                   18.451
_cell_length_b                   18.451
_cell_length_c                   4.9520
_cell_formula_units_Z            4
_cell_volume                     1685.856
_database_code_amcsd             0014554
_exptl_crystal_density_diffrn    3.260
_cod_original_sg_symbol_H-M      'P 4/n'
_cod_original_formula_sum        'Na4.26 Cu4.37 S4 O18 Cl'
_cod_database_code               9011814
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_9011815
_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
'Rappold mine, near Schneeberg, Saxony, Germany'
_chemical_formula_sum            'As2 Co H4 Ni0.64 O10 Pb Zn0.36'
_chemical_name_mineral           Rappoldite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.19
_cell_angle_beta                 70.41
_cell_angle_gamma                69.23
_cell_formula_units_Z            1
_cell_length_a                   5.595
_cell_length_b                   5.572
_cell_length_c                   7.593
_cell_volume                     201.911
_database_code_amcsd             0014555
_exptl_crystal_density_diffrn    5.273
_cod_original_formula_sum        'Pb (Co Ni.64 Zn.36) As2 (O10 H4)'
_cod_database_code               9011815
The crystal structure of Na4(UO2)(CO3)3 and its relationship to schrockingerite Locality: synthetic
Yaping, L.; Krivichev, S. V.; Burns, P. C.; Mineralogical Magazine 65 (2001) 297–304; doi:10.1180/002646101550262

data_9011816
_publ_section_title
;The crystal structure of Na4(UO2)(CO3)3 and its relationship to
 schrockingerite Locality: synthetic
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              297
_journal_page_last               304
_journal_paper_doi               10.1180/002646101550262
_journal_volume                  65
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C3 Na4 O11 U'
_chemical_name_mineral           Cejkaite
_space_group_IT_number           165
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.3417
_cell_length_b                   9.3417
_cell_length_c                   12.824
_cell_formula_units_Z            4
_cell_volume                     969.183
_database_code_amcsd             0014557
_exptl_crystal_density_diffrn    3.715
_cod_original_formula_sum        'Na4 U C3 O11'
_cod_database_code               9011816