LMucko/crystallography-open-database huggingface dataset:
Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip50
Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.; The Canadian Mineralogist 42 (2004) 1105–1115; doi:10.2113/gscanmin.42.4.1105

data_9004883
_publ_section_title
;
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip50
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1105
_journal_page_last               1115
_journal_paper_doi               10.2113/gscanmin.42.4.1105
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        'BB#7 Quarry, Norway, Maine'
_chemical_formula_sum            'Fe0.503 Li Mn0.497 O4 P'
_chemical_name_mineral           Triphylite
_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                   4.7138
_cell_length_b                   10.3826
_cell_length_c                   6.0499
_cell_formula_units_Z            4
_cell_volume                     296.091
_database_code_amcsd             0005978
_exptl_crystal_density_diffrn    3.529
_cod_original_formula_sum        'Li (Mn.497 Fe.503) P O4'
_cod_database_code               9004883
Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip79
Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.; The Canadian Mineralogist 42 (2004) 1105–1115; doi:10.2113/gscanmin.42.4.1105

data_9004884
_publ_section_title
;
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip79
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1105
_journal_page_last               1115
_journal_paper_doi               10.2113/gscanmin.42.4.1105
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        'Palermo #1 Quarry, Groton, New Hampshire'
_chemical_formula_sum            'Fe0.753 Li Mg0.056 Mn0.201 O4 P'
_chemical_name_mineral           Triphylite
_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                   4.7006
_cell_length_b                   10.341
_cell_length_c                   6.0166
_cell_formula_units_Z            4
_cell_volume                     292.460
_database_code_amcsd             0005979
_exptl_crystal_density_diffrn    3.551
_cod_original_formula_sum        'Li Mn.201 Mg.056 Fe.753 P O4'
_cod_database_code               9004884
Structural variation in the lithiophilite-triphylite series and other olivine-group structures Sample: Trip89
Losey, A.; Rakovan, J. F.; Hughes, J. M.; Francis, C. A.; Dyar, M. D.; The Canadian Mineralogist 42 (2004) 1105–1115; doi:10.2113/gscanmin.42.4.1105

data_9004885
_publ_section_title
;
 Structural variation in the lithiophilite-triphylite series
 and other olivine-group structures
 Sample: Trip89
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1105
_journal_page_last               1115
_journal_paper_doi               10.2113/gscanmin.42.4.1105
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        'G.E. Smith Quarry, Newport, New Hampshire'
_chemical_formula_sum            'Fe0.687 Li Mg0.234 Mn0.089 O4 P'
_chemical_name_mineral           Triphylite
_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                   4.6904
_cell_length_b                   10.2855
_cell_length_c                   5.9871
_cell_formula_units_Z            4
_cell_volume                     288.836
_database_code_amcsd             0005980
_exptl_crystal_density_diffrn    3.469
_cod_original_formula_sum        'Li Mn.089 Mg.234 Fe.687 P O4'
_cod_database_code               9004885
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUAs12
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004886
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MnUAs12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Mn[UO2AsO4]2(H2O)12
_chemical_formula_sum            'As2 H24 Mn O24 U2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.592
_cell_angle_beta                 81.639
_cell_angle_gamma                88.918
_cell_formula_units_Z            1
_cell_length_a                   7.1359
_cell_length_b                   7.1439
_cell_length_c                   11.3616
_cell_volume                     566.877
_database_code_amcsd             0005981
_exptl_crystal_density_diffrn    3.190
_cod_original_formula_sum        'Mn U2 As2 O24 H24'
_cod_database_code               9004886
_amcsd_formula_title             Mn[UO2AsO4]2(H2O)12
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUAs12
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004887
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: CoUAs12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'As2 Co H24 O24 U2'
_chemical_name_mineral           Kirchheimerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.487
_cell_angle_beta                 81.410
_cell_angle_gamma                88.891
_cell_formula_units_Z            1
_cell_length_a                   7.1552
_cell_length_b                   7.1586
_cell_length_c                   11.2912
_cell_volume                     565.558
_database_code_amcsd             0005982
_exptl_crystal_density_diffrn    3.209
_cod_original_formula_sum        'Co U2 As2 O24 H24'
_cod_database_code               9004887
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MgUAs12
Locock A J; Burns P C; Flynn M; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004888
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MgUAs12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'As2 H24 Mg O24 U2'
_chemical_name_mineral           'Novacekite I'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.391
_cell_angle_beta                 81.177
_cell_angle_gamma                88.884
_cell_length_a                   7.1594
_cell_length_b                   7.1610
_cell_length_c                   11.3146
_cell_formula_units_Z            1
_cell_volume                     566.756
_cod_original_formula_sum        'Mg U2 As2 O24 H24'
_cod_database_code               9004888
_database_code_amcsd 0005983
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUAs12
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004889
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: NiUAs12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Ni[UO2AsO4]2(H2O)12
_chemical_formula_sum            'As2 H24 Ni O24 U2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.549
_cell_angle_beta                 81.356
_cell_angle_gamma                88.916
_cell_formula_units_Z            1
_cell_length_a                   7.1523
_cell_length_b                   7.1583
_cell_length_c                   11.2564
_cell_volume                     563.573
_database_code_amcsd             0005985
_exptl_crystal_density_diffrn    3.220
_cod_original_formula_sum        'Ni U2 As2 O24 H24'
_cod_database_code               9004889
_amcsd_formula_title             Ni[UO2AsO4]2(H2O)12
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUP12
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004890
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: NiUP12
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Ni[UO2PO4]2(H2O)12
_chemical_formula_sum            'H24 Ni O24 P2 U2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                81.591
_cell_angle_beta                 82.189
_cell_angle_gamma                88.721
_cell_formula_units_Z            1
_cell_length_a                   6.9962
_cell_length_b                   7.0012
_cell_length_c                   11.171
_cell_volume                     536.269
_database_code_amcsd             0005986
_exptl_crystal_density_diffrn    3.112
_cod_original_formula_sum        'Ni U2 P2 O24 H24'
_cod_database_code               9004890
_amcsd_formula_title             Ni[UO2PO4]2(H2O)12
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUP10
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004891
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MnUP10
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Mn[UO2PO4]2(H2O)10
_chemical_formula_sum            'H20 Mn O22 P2 U2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.019
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9656
_cell_length_b                   20.3768
_cell_length_c                   6.9775
_cell_volume                     990.206
_database_code_amcsd             0005987
_exptl_crystal_density_diffrn    3.237
_cod_original_formula_sum        'Mn U2 P2 O22 H20'
_cod_database_code               9004891
_amcsd_formula_title             Mn[UO2PO4]2(H2O)10
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUP10
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004892
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: CoUP10
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Co[UO2PO4]2(H2O)10
_chemical_formula_sum            'Co H20 O22 P2 U2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.440
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9490
_cell_length_b                   19.9348
_cell_length_c                   6.9620
_cell_volume                     964.396
_database_code_amcsd             0005988
_exptl_crystal_density_diffrn    3.337
_cod_original_formula_sum        'Co U2 P2 O22 H20'
_cod_database_code               9004892
_amcsd_formula_title             Co[UO2PO4]2(H2O)10
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: NiUP10
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004893
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: NiUP10
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Ni[UO2PO4]2(H2O)10
_chemical_formula_sum            'H20 Ni O22 P2 U2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.418
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.9506
_cell_length_b                   19.8215
_cell_length_c                   6.9711
_cell_volume                     960.392
_database_code_amcsd             0005989
_exptl_crystal_density_diffrn    3.350
_cod_original_formula_sum        'Ni U2 P2 O22 H20'
_cod_database_code               9004893
_amcsd_formula_title             Ni[UO2PO4]2(H2O)10
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MgUAs10
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004894
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MgUAs10
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'As2 H20 Mg O22 U2'
_chemical_name_mineral           'Novacekite II'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.585
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.1328
_cell_length_b                   20.085
_cell_length_c                   7.1569
_cell_volume                     1025.260
_database_code_amcsd             0005990
_exptl_crystal_density_diffrn    3.312
_cod_original_formula_sum        'Mg U2 As2 O22 H20'
_cod_database_code               9004894
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: MnUAs8
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004895
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: MnUAs8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_structural     Mn[UO2AsO4]2(H2O)8
_chemical_formula_sum            'As2 H16 Mn O20 U2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.012
_cell_angle_beta                 84.136
_cell_angle_gamma                81.995
_cell_formula_units_Z            2
_cell_length_a                   7.2244
_cell_length_b                   9.9170
_cell_length_c                   13.337
_cell_volume                     911.832
_database_code_amcsd             0005991
_exptl_crystal_density_diffrn    3.704
_cod_original_formula_sum        'Mn U2 As2 O20 H16'
_cod_database_code               9004895
_amcsd_formula_title             Mn[UO2AsO4]2(H2O)8
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: FeUAs8
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004896
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: FeUAs8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'As2 Fe H16 O20 U2'
_chemical_name_mineral           Metakahlerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.3701
_cell_angle_beta                 84.024
_cell_angle_gamma                81.839
_cell_formula_units_Z            2
_cell_length_a                   7.2072
_cell_length_b                   9.8242
_cell_length_c                   13.2708
_cell_volume                     897.678
_database_code_amcsd             0005992
_exptl_crystal_density_diffrn    3.766
_cod_original_formula_sum        'Fe U2 As2 O20 H16'
_cod_database_code               9004896
Divalent transition metals and magnesium in structures that contain the autunite-type sheet Sample: CoUAs8
Locock, A. J.; Burns, P. C.; Flynn, M.; The Canadian Mineralogist 42 (2004) 1699–1718; doi:10.2113/gscanmin.42.6.1699

data_9004897
_publ_section_title
;
 Divalent transition metals and magnesium in structures
 that contain the autunite-type sheet
 Sample: CoUAs8
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1699
_journal_page_last               1718
_journal_paper_doi               10.2113/gscanmin.42.6.1699
_journal_volume                  42
_journal_year                    2004
_chemical_formula_sum            'As2 Co H16 O20 U2'
_chemical_name_mineral           Metakirchheimerite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                75.525
_cell_angle_beta                 84.052
_cell_angle_gamma                81.661
_cell_formula_units_Z            2
_cell_length_a                   7.1955
_cell_length_b                   9.7715
_cell_length_c                   13.2319
_cell_volume                     889.083
_database_code_amcsd             0005993
_exptl_crystal_density_diffrn    3.814
_cod_original_formula_sum        'Co U2 As2 O20 H16'
_cod_database_code               9004897
Structural and physical properties of fischesserite, a rare gold-silver selenide from the De Lamar mine, Owyhee County, Idaho, USA Locality: De Lamar mine, Owyhee County, Idaho, USA
Bindi, L.; Cipriani, C.; The Canadian Mineralogist 42 (2004) 1733–1737; doi:10.2113/gscanmin.42.6.1733

data_9004898
_publ_section_title
;Structural and physical properties of fischesserite, a rare gold-silver
 selenide from the De Lamar mine, Owyhee County, Idaho, USA Locality: De Lamar
 mine, Owyhee County, Idaho, USA
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1733
_journal_page_last               1737
_journal_paper_doi               10.2113/gscanmin.42.6.1733
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        'De Lamar mine, Owyhee County, Idaho, USA'
_chemical_formula_sum            'Ag3 Au Se2'
_chemical_name_mineral           Fischesserite
_space_group_IT_number           214
_symmetry_space_group_name_Hall  'I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.965
_cell_length_b                   9.965
_cell_length_c                   9.965
_cell_formula_units_Z            8
_cell_volume                     989.537
_database_code_amcsd             0005994
_exptl_crystal_density_diffrn    9.109
_cod_database_code               9004898
Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas, Catamarca, Argentina: Description and crystal structure Locality: Capillitas, Catamarca, Argentina
Paar, W. H.; Roberts, A. C.; Berlepsch, P.; Armbruster, T.; Topa, D.; Zagler, G.; The Canadian Mineralogist 42 (2004) 1757–1769; doi:10.2113/gscanmin.42.6.1757

data_9004899
_publ_section_title
;Putzite, (Cu4.7Ag3.3)8GeS6, a new mineral species, from Capillitas,
 Catamarca, Argentina: Description and crystal structure Locality: Capillitas,
 Catamarca, Argentina
;
_journal_name_full               'The Canadian Mineralogist'
_journal_page_first              1757
_journal_page_last               1769
_journal_paper_doi               10.2113/gscanmin.42.6.1757
_journal_volume                  42
_journal_year                    2004
_chemical_compound_source        'Capillitas, Catamarca, Argentina'
_chemical_formula_sum            'Ag3.48 Cu4.68 Ge S6'
_chemical_name_mineral           Putzite
_space_group_IT_number           216
_symmetry_space_group_name_Hall  'F -4 2 3'
_symmetry_space_group_name_H-M   'F -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.1250
_cell_length_b                   10.1250
_cell_length_c                   10.1250
_cell_formula_units_Z            4
_cell_volume                     1037.971
_database_code_amcsd             0005995
_exptl_crystal_density_diffrn    6.001
_cod_original_formula_sum        'Ge Cu4.68 Ag3.48 S6'
_cod_database_code               9004899