LMucko/crystallography-open-database huggingface dataset:
Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4 Note: hexagonal nepheline
Hammond, R. P.; Barbier, J.; Acta Crystallographica, Section B 54 (1998) 211–220; doi:10.1107/S0108768197013177

data_9013893
_publ_section_title
;
 Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4
 Note: hexagonal nepheline
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              211
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768197013177
_journal_volume                  54
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_structural     (Na.75K.25)AlGeO4
_chemical_formula_sum            'Al3.88 Ge4.12 K0.76 Na3.12 O16'
_space_group_IT_number           173
_symmetry_space_group_name_Hall  'P 6c'
_symmetry_space_group_name_H-M   'P 63'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   10.1640
_cell_length_b                   10.1640
_cell_length_c                   8.540
_cell_volume                     764.043
_database_code_amcsd             0009903
_exptl_crystal_density_diffrn    3.309
_cod_original_formula_sum        'Na3.12 K.76 Al3.88 Ge4.12 O16'
_cod_database_code               9013893
_amcsd_formula_title             (Na.75K.25)AlGeO4
Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4 Locality: synthetic Note: monoclinic nepheline
Hammond, R. P.; Barbier, J.; Acta Crystallographica, Section B 54 (1998) 211–220; doi:10.1107/S0108768197013177

data_9013894
_publ_section_title
;
 Monoclinic and hexagonal nepheline structures of (Na3/4K1/4)AlGeO4
 Locality: synthetic
 Note: monoclinic nepheline
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              211
_journal_page_last               220
_journal_paper_doi               10.1107/S0108768197013177
_journal_volume                  54
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_structural     (Na.75K.25)AlGeO4
_chemical_formula_sum            'Al4 Ge4 K Na3 O16'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.0350
_cell_angle_gamma                90
_cell_length_a                   10.0477
_cell_length_b                   8.5764
_cell_length_c                   10.2118
_cell_formula_units_Z            2
_cell_volume                     769.389
_exptl_crystal_density_diffrn    3.291
_cod_depositor_comments
;
 Fixing _atom_site_label values. Original article with doi 
 10.1107/S0108768197013177 was consulted.

 Antanas Vaitkus
 2013-04-02
;
_cod_original_formula_sum        'Na3 K Al4 Ge4 O16'
_cod_database_code               9013894
_cod_duplicate_entry 2105552
Structure of langite, Cu4[(OH)6|SO4]*2H2O
Gentsch, M.; Weber, K.; Acta Crystallographica, Section C 40 (1984) 1309–1311; doi:10.1107/S0108270184007769

data_9013895
_publ_section_title
;
 Structure of langite, Cu4[(OH)6|SO4]*2H2O
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              1309
_journal_page_last               1311
_journal_paper_doi               10.1107/S0108270184007769
_journal_volume                  40
_journal_year                    1984
_chemical_compound_source        'Allihies mine, County Cork, Ireland'
_chemical_formula_structural     Cu4(SO4)(OH)6*2(H2O)
_chemical_formula_sum            'Cu4 H10 O12 S'
_chemical_name_mineral           Langite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.00
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.137
_cell_length_b                   6.031
_cell_length_c                   11.217
_cell_volume                     482.816
_database_code_amcsd             0009993
_exptl_crystal_density_diffrn    3.359
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
                                          miguel
;
_cod_original_formula_sum        'Cu4 S O12 H10'
_cod_database_code               9013895
Sr, Ba and Cd arsenates with the apatite-type structure
Dordevic, T.; Sutovic, S.; Stojanovic, J.; Karanovic, L.; Acta Crystallographica, Section C 64 (2008) i82–i86; doi:10.1107/S0108270108023457

data_9013896
_publ_section_title
;
 Sr, Ba and Cd arsenates with the apatite-type structure
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              i82
_journal_page_last               i86
_journal_paper_doi               10.1107/S0108270108023457
_journal_volume                  64
_journal_year                    2008
_chemical_compound_source        Synthetic
_chemical_formula_structural     (Ba,Sr)5(AsO4)3Cl
_chemical_formula_sum            'As3 Ba2.951 Cl O12 Sr2.047'
_chemical_name_common            Sr-Morelandite
_chemical_name_mineral           Morelandite
_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_length_a                   10.390
_cell_length_b                   10.390
_cell_length_c                   7.575
_cell_formula_units_Z            2
_cell_volume                     708.181
_database_code_amcsd             0010345
_exptl_crystal_density_diffrn    4.862
_cod_original_formula_sum        'Sr2.047 Ba2.951 As3 O12 Cl'
_cod_database_code               9013896
Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and LiCrGe~2~O~6~ at 298K Note: pyroxene structure
Redhammer, G"unther J.; Roth, Georg; Amthauer, Georg; Acta Crystallographica, Section C: Crystal Structure Communications 64 (2008) i97–i102; doi:10.1107/S0108270108037633

data_9013897
_publ_section_title
;
 Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and
 LiCrGe~2~O~6~ at 298K

 Note: pyroxene structure
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           FA3169
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              i97
_journal_page_last               i102
_journal_paper_doi               10.1107/S0108270108037633
_journal_volume                  64
_journal_year                    2008
_chemical_formula_structural     NaCrGe2O6
_chemical_formula_sum            'Cr Ge2 Na O6'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.548
_cell_angle_gamma                90
_cell_length_a                   9.9151
_cell_length_b                   8.8441
_cell_length_c                   5.4595
_cell_formula_units_Z            4
_cell_volume                     456.466
_exptl_crystal_density_diffrn    4.601
_cod_duplicate_entry             2016854
_cod_original_formula_sum        'Na Cr Ge2 O6'
_cod_database_code               9013897
Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and LiCrGe~2~O~6~ at 298K Note: pyroxene structure
Redhammer, G"unther J.; Roth, Georg; Amthauer, Georg; Acta Crystallographica, Section C: Crystal Structure Communications 64 (2008) i97–i102; doi:10.1107/S0108270108037633

data_9013898
_publ_section_title
;
 Chromium-based clinopyroxene-type germanates NaCrGe~2~O~6~ and
 LiCrGe~2~O~6~ at 298K

 Note: pyroxene structure
;
_journal_coden_ASTM              ACSCEE
_journal_coeditor_code           FA3169
_journal_issue                   12
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              i97
_journal_page_last               i102
_journal_paper_doi               10.1107/S0108270108037633
_journal_volume                  64
_journal_year                    2008
_chemical_formula_structural     LiCrGe2O6
_chemical_formula_sum            'Cr Ge2 Li O6'
_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                 108.905
_cell_angle_gamma                90
_cell_length_a                   9.7989
_cell_length_b                   8.7190
_cell_length_c                   5.3410
_cell_formula_units_Z            4
_cell_volume                     431.702
_exptl_crystal_density_diffrn    4.618
_cod_duplicate_entry             2016855
_cod_original_formula_sum        'Li Cr Ge2 O6'
_cod_database_code               9013898
Synchrotron study of pyrochlore-related NaCdZn2F7
Friese, K.; Grzechnik, A.; Morgenroth, W.; Buth, G.; Doyle, S.; Gesland, J. Y.; Acta Crystallographica, Section E 61 (2005) i182–i184; doi:10.1107/S160053680502297X

data_9013899
_publ_section_title
;
 Synchrotron study of pyrochlore-related NaCdZn2F7
;
_journal_name_full               'Acta Crystallographica, Section E'
_journal_page_first              i182
_journal_page_last               i184
_journal_paper_doi               10.1107/S160053680502297X
_journal_volume                  61
_journal_year                    2005
_chemical_formula_structural     NaCdZn2F7
_chemical_formula_sum            'Cd F7 Na Zn2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.34657
_cell_length_b                   10.34657
_cell_length_c                   10.34657
_cell_formula_units_Z            8
_cell_volume                     1107.616
_exptl_crystal_density_diffrn    4.787
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        '(Na Cd) Zn2 F7'
_cod_database_code               9013899
_cod_duplicate_entry 2206347
The crystal structure of Au2Bi
Jurriaanse, T.; Zeitschrift fur Kristallographie 90 (1935) 322–329; doi:

data_9013900
_publ_section_title
;
 The crystal structure of Au2Bi
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              322
_journal_page_last               329
_journal_volume                  90
_journal_year                    1935
_chemical_compound_source        Synthetic
_chemical_formula_structural     Au2Bi
_chemical_formula_sum            'Au2 Bi'
_chemical_name_mineral           Maldonite
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.942
_cell_length_b                   7.942
_cell_length_c                   7.942
_cell_formula_units_Z            8
_cell_volume                     500.945
_database_code_amcsd             0010552
_exptl_crystal_density_diffrn    15.988
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'Bi Au2'
_cod_database_code               9013900
Mechanism of the reaction Ca5H2(AsO4)4*9H2O (ferrarisite) -> Ca5H2(AsO4)4*5H2O) (dimorph of vladimirite), and structure of the latter phase Note: formed by dehydrating ferrarisite at 60 C Locality: Sainte-Marie-aux-Mines (Alsace), France
Catti, M.; Ivaldi, G.; Zeitschrift fur Kristallographie 157 (1981) 119–130; doi:

data_9013901
_publ_section_title
;Mechanism of the reaction Ca5H2(AsO4)4*9H2O (ferrarisite) ->
 Ca5H2(AsO4)4*5H2O) (dimorph of vladimirite), and structure of the latter
 phase Note: formed by dehydrating ferrarisite at 60 C Locality:
 Sainte-Marie-aux-Mines (Alsace), France
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              119
_journal_page_last               130
_journal_volume                  157
_journal_year                    1981
_chemical_compound_source        'Sainte-Marie-aux-Mines (Alsace), France'
_chemical_formula_structural     Ca5H2(AsO4)4*5H2O
_chemical_formula_sum            'As2 Ca2.5 H8 O10.5'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                86.58
_cell_angle_beta                 111.10
_cell_angle_gamma                99.74
_cell_formula_units_Z            2
_cell_length_a                   8.286
_cell_length_b                   6.673
_cell_length_c                   9.743
_cell_volume                     495.351
_database_code_amcsd             0010836
_exptl_crystal_density_diffrn    2.857
_cod_original_formula_sum        'As2 Ca2.5 O10.5 H8'
_cod_database_code               9013901
_amcsd_formula_title             Ca5H2(AsO4)4*5H2O
The crystal structure of wolframite type tungstates at high pressure Note: P = 0.0001 GPa, in air
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013902
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = 0.0001 GPa, in air
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mg(WO4)
_chemical_formula_sum            'Mg O4 W'
_chemical_name_mineral           Huanzalait
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.83
_cell_angle_gamma                90
_cell_length_a                   4.696
_cell_length_b                   5.683
_cell_length_c                   4.945
_cell_formula_units_Z            2
_cell_volume                     131.955
_database_code_amcsd             0011046
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    6.850
_cod_original_formula_sum        'Mg W O4'
_cod_database_code               9013902
The crystal structure of wolframite type tungstates at high pressure Note: P = .0001 GPa, in diamond anvil cell
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013903
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = .0001 GPa, in diamond anvil cell
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mg(WO4)
_chemical_formula_sum            'Mg O4 W'
_chemical_name_mineral           Huanzalait
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.93
_cell_angle_gamma                90
_cell_length_a                   4.695
_cell_formula_units_Z            2
_cell_length_b                   5.6834
_cell_length_c                   4.9371
_cell_volume                     131.722
_database_code_amcsd             0011047
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    6.862
_cod_original_formula_sum        'Mg W O4'
_cod_database_code               9013903
The crystal structure of wolframite type tungstates at high pressure Note: P = 3.02 GPa
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013904
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = 3.02 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mg(WO4)
_chemical_formula_sum            'Mg O4 W'
_chemical_name_mineral           Huanzalait
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.64
_cell_angle_gamma                90
_cell_length_a                   4.660
_cell_formula_units_Z            2
_cell_length_b                   5.6406
_cell_length_c                   4.910
_cell_volume                     129.052
_database_code_amcsd             0011048
_diffrn_ambient_pressure         3.02e+06
_exptl_crystal_density_diffrn    7.004
_cod_original_formula_sum        'Mg W O4'
_cod_database_code               9013904
The crystal structure of wolframite type tungstates at high pressure Note: P = 4.86 GPa
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013905
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = 4.86 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mg(WO4)
_chemical_formula_sum            'Mg O4 W'
_chemical_name_mineral           Huanzalait
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.57
_cell_angle_gamma                90
_cell_length_a                   4.636
_cell_formula_units_Z            2
_cell_length_b                   5.6123
_cell_length_c                   4.889
_cell_volume                     127.199
_database_code_amcsd             0011049
_diffrn_ambient_pressure         4.86e+06
_exptl_crystal_density_diffrn    7.106
_cod_original_formula_sum        'Mg W O4'
_cod_database_code               9013905
The crystal structure of wolframite type tungstates at high pressure Note: P = 5.90 GPa
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013906
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = 5.90 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mg(WO4)
_chemical_formula_sum            'Mg O4 W'
_chemical_name_mineral           Huanzalait
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.56
_cell_angle_gamma                90
_cell_length_a                   4.624
_cell_formula_units_Z            2
_cell_length_b                   5.594
_cell_length_c                   4.880
_cell_volume                     126.223
_database_code_amcsd             0011050
_diffrn_ambient_pressure         5.9e+06
_exptl_crystal_density_diffrn    7.161
_cod_original_formula_sum        'Mg W O4'
_cod_database_code               9013906
The crystal structure of wolframite type tungstates at high pressure Note: P = 0.0001 GPa, in air
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013907
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = 0.0001 GPa, in air
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mn(WO4)
_chemical_formula_sum            'Mn O4 W'
_chemical_name_mineral           Huebnerite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.14
_cell_angle_gamma                90
_cell_length_a                   4.830
_cell_formula_units_Z            2
_cell_length_b                   5.7603
_cell_length_c                   4.994
_cell_volume                     138.917
_database_code_amcsd             0011051
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    7.239
_cod_original_formula_sum        'Mn W O4'
_cod_database_code               9013907
The crystal structure of wolframite type tungstates at high pressure Note: P = .0001 GPa, in diamond anvil cell
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013908
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P =  .0001 GPa, in diamond anvil cell
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mn(WO4)
_chemical_formula_sum            'Mn O4 W'
_chemical_name_mineral           Huebnerite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.14
_cell_angle_gamma                90
_cell_length_a                   4.8277
_cell_formula_units_Z            2
_cell_length_b                   5.761
_cell_length_c                   4.997
_cell_volume                     138.951
_database_code_amcsd             0011052
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    7.237
_cod_original_formula_sum        'Mn W O4'
_cod_database_code               9013908
The crystal structure of wolframite type tungstates at high pressure Note: P = 2.81 GPa
Macavei, J.; Schulz, H.; Zeitschrift fur Kristallographie 207 (1993) 193–208; doi:

data_9013909
_publ_section_title
;
 The crystal structure of wolframite type tungstates at high pressure
 Note: P = 2.81 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              193
_journal_page_last               208
_journal_volume                  207
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_structural     Mn(WO4)
_chemical_formula_sum            'Mn O4 W'
_chemical_name_mineral           Huebnerite
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.22
_cell_angle_gamma                90
_cell_length_a                   4.789
_cell_formula_units_Z            2
_cell_length_b                   5.7106
_cell_length_c                   4.9738
_cell_volume                     135.993
_database_code_amcsd             0011053
_diffrn_ambient_pressure         2.81e+06
_exptl_crystal_density_diffrn    7.394
_cod_original_formula_sum        'Mn W O4'
_cod_database_code               9013909