LMucko/crystallography-open-database huggingface dataset:
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.24 GPa Note: known as CuCl-IV
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013927
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 9.24 GPa
 Note: known as CuCl-IV
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Cl Cu'
_chemical_name_mineral           Nantokite
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.3104
_cell_length_b                   6.3104
_cell_length_c                   6.3104
_cell_formula_units_Z            8
_cell_volume                     251.287
_database_code_amcsd             0015187
_diffrn_ambient_pressure         9.24e+06
_exptl_crystal_density_diffrn    5.234
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Cu Cl'
_cod_database_code               9013927
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 10.49 GPa Note: rocksalt structure Note: known as CuCl-V
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013928
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 10.49 GPa
 Note: rocksalt structure
 Note: known as CuCl-V
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'Cl Cu'
_chemical_name_mineral           Nantokite
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9290
_cell_length_b                   4.9290
_cell_length_c                   4.9290
_cell_formula_units_Z            4
_cell_volume                     119.750
_database_code_amcsd             0015188
_diffrn_ambient_pressure         1.049e+07
_exptl_crystal_density_diffrn    5.491
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Cu Cl'
_cod_database_code               9013928
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 0 GPa Note: ZnS structure, sphalerite structure Note: known as CuBr-III
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013929
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 0 GPa
 Note: ZnS structure, sphalerite structure
 Note: known as CuBr-III
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_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                   5.6955
_cell_length_b                   5.6955
_cell_length_c                   5.6955
_cell_formula_units_Z            4
_cell_volume                     184.755
_database_code_amcsd             0015189
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    5.157
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013929
_amcsd_formula_title             CuBr
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 4.85 GPa Note: ZnS structure, sphalerite structure Note: known as CuBr-III
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013930
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 4.85 GPa
 Note: ZnS structure, sphalerite structure
 Note: known as CuBr-III
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_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                   5.4980
_cell_length_b                   5.4980
_cell_length_c                   5.4980
_cell_formula_units_Z            4
_cell_volume                     166.194
_database_code_amcsd             0015190
_diffrn_ambient_pressure         4.85e+06
_exptl_crystal_density_diffrn    5.733
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013930
_amcsd_formula_title             CuBr
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 4.85 GPa Note: known as CuBr-IV
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013931
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 4.85 GPa
 Note: known as CuBr-IV
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9411
_cell_length_b                   3.9411
_cell_length_c                   5.0054
_cell_formula_units_Z            2
_cell_volume                     77.745
_database_code_amcsd             0015191
_diffrn_ambient_pressure         4.85e+06
_exptl_crystal_density_diffrn    6.128
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013931
_amcsd_formula_title             CuBr
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-IV
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013932
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 5.08 GPa
 Note: known as CuBr-IV
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9397
_cell_length_b                   3.9397
_cell_length_c                   5.0033
_cell_formula_units_Z            2
_cell_volume                     77.657
_database_code_amcsd             0015192
_diffrn_ambient_pressure         5.08e+06
_exptl_crystal_density_diffrn    6.135
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013932
_amcsd_formula_title             CuBr
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 5.08 GPa Note: known as CuBr-V
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013933
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 5.08 GPa
 Note: known as CuBr-V
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.7378
_cell_length_b                   6.7378
_cell_length_c                   6.7378
_cell_formula_units_Z            8
_cell_volume                     305.882
_database_code_amcsd             0015193
_diffrn_ambient_pressure         5.08e+06
_exptl_crystal_density_diffrn    6.230
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013933
_amcsd_formula_title             CuBr
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 7.29 GPa Note: known as CuBr-V
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013934
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 7.29 GPa
 Note: known as CuBr-V
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.6674
_cell_length_b                   6.6674
_cell_length_c                   6.6674
_cell_formula_units_Z            8
_cell_volume                     296.394
_database_code_amcsd             0015194
_diffrn_ambient_pressure         7.29e+06
_exptl_crystal_density_diffrn    6.429
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013934
_amcsd_formula_title             CuBr
High-pressure polymorphism of the copper(I) halides: A neutron-diffraction study to ~10 GPa Note: P = 9.28 GPa Note: rocksalt structure Note: known as CuBr-VI
Hull, S.; Keen, D. A.; Physical Review B 50 (1994) 5868–5885; doi:10.1103/PhysRevB.50.5868

data_9013935
_publ_section_title
;
 High-pressure polymorphism of the copper(I) halides:
 A neutron-diffraction study to ~10 GPa
 Note: P = 9.28 GPa
 Note: rocksalt structure
 Note: known as CuBr-VI
;
_journal_name_full               'Physical Review B'
_journal_page_first              5868
_journal_page_last               5885
_journal_paper_doi               10.1103/PhysRevB.50.5868
_journal_volume                  50
_journal_year                    1994
_chemical_formula_structural     CuBr
_chemical_formula_sum            'Br Cu'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1701
_cell_length_b                   5.1701
_cell_length_c                   5.1701
_cell_formula_units_Z            4
_cell_volume                     138.196
_database_code_amcsd             0015195
_diffrn_ambient_pressure         9.28e+06
_exptl_crystal_density_diffrn    6.895
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Cu Br'
_cod_database_code               9013935
_amcsd_formula_title             CuBr
Sanromanite, from the Santa Rosa mine, Atacama desert, Chile, a new mineral of the burbankite group
Schluter, J.; Malcherek, T.; Pohl, D.; Neues Jahrbuch fur Mineralogie, Abhandlungen 183 (2007) 117–121; doi:

data_9013936
_publ_section_title
;
 Sanromanite, from the Santa Rosa mine, Atacama desert, Chile,
 a new mineral of the burbankite group
;
_journal_name_full
'Neues Jahrbuch fur Mineralogie, Abhandlungen'
_journal_page_first              117
_journal_page_last               121
_journal_volume                  183
_journal_year                    2007
_chemical_compound_source        'Santa Rosa mine, near Iquique, Chile'
_chemical_formula_sum            'C5 Ca Na2 O15 Pb3'
_chemical_name_mineral           Sanromanite
_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_length_a                   10.5702
_cell_length_b                   10.5702
_cell_length_c                   6.6509
_cell_formula_units_Z            2
_cell_volume                     643.543
_database_code_amcsd             0014726
_exptl_crystal_density_diffrn    5.200
_cod_original_formula_sum        '(Na2 Ca) Pb3 C5 O15'
_cod_database_code               9013936
The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9, and the classification of superstructures in the bismuthinite-aikinite group,
Synecek, V.; Hybler, J.; Neues Jahrbuch fur Mineralogie, Monatshefte 1974 (1974) 541–560; doi:

data_9013937
_publ_section_title
;The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9,
 and the classification of superstructures in the bismuthinite-aikinite group,
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              541
_journal_page_last               560
_journal_volume                  1974
_journal_year                    1974
_chemical_compound_source        'Krupka, Ore Mountains, NW-Bohemia'
_chemical_formula_sum            'Bi3 Cu Pb S6'
_chemical_name_mineral           Krupkaite
_symmetry_space_group_name_H-M   'P b 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.15
_cell_length_b                   11.51
_cell_length_c                   4.01
_cell_formula_units_Z            2
_cell_volume                     514.629
_database_code_amcsd             0014750
_exptl_crystal_density_diffrn    7.035
_cod_original_formula_sum        'Cu Bi3 Pb S6'
_cod_database_code               9013937
The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9, and the classification of superstructures in the bismuthinite-aikinite group,
Synecek, V.; Hybler, J.; Neues Jahrbuch fur Mineralogie, Monatshefte 1974 (1974) 541–560; doi:

data_9013938
_publ_section_title
;The crystal structures of krupkaite, CuPbBi3S6, and of gladite, CuPbBi5S9,
 and the classification of superstructures in the bismuthinite-aikinite group,
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              541
_journal_page_last               560
_journal_volume                  1974
_journal_year                    1974
_chemical_compound_source        'Krupka, Ore Mountains, NW-Bohemia'
_chemical_formula_sum            'Bi5 Cu Pb S9'
_chemical_name_mineral           Gladite
_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                   33.62
_cell_length_b                   11.48
_cell_length_c                   4.00
_cell_formula_units_Z            4
_cell_volume                     1543.830
_database_code_amcsd             0014751
_exptl_crystal_density_diffrn    6.902
_cod_original_formula_sum        'Bi5 Pb S9 Cu'
_cod_database_code               9013938
The orientation of the hydroxyl groups in dickite by X-ray diffraction Note: z-coordinate of Si1 altered to reproduce reported bond lengths
Joswig, W.; Drits, V. A.; Neues Jahrbuch fur Mineralogie, Monatshefte 1986 (1986) 19–22; doi:

data_9013939
_publ_section_title
;
 The orientation of the hydroxyl groups in dickite by X-ray diffraction
 Note: z-coordinate of Si1 altered to reproduce reported bond lengths
;
_journal_name_full               'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_page_first              19
_journal_page_last               22
_journal_volume                  1986
_journal_year                    1986
_chemical_compound_source        'Kilantyubinsk mine, USSR'
_chemical_formula_sum            'Al2 H4 O9 Si2'
_chemical_name_mineral           Dickite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.74
_cell_angle_gamma                90
_cell_length_a                   5.1375
_cell_length_b                   8.9178
_cell_length_c                   14.389
_cell_formula_units_Z            4
_cell_volume                     654.679
_database_code_amcsd             0014797
_exptl_crystal_density_diffrn    2.619
_cod_original_formula_sum        'Si2 Al2 O9 H4'
_cod_database_code               9013939
The crystal structure of hingganite-(Yb), (Y0.51Yb0.36Ca0.13)Fe0.065Be[SiO4](OH)
Yakubovich, O. V.; Matvinenko, E. N.; Voloshin, A. V.; Simonov, M. A.; Kristallografiya 28 (1983) 457–460; doi:

data_9013940
_publ_section_title
;The crystal structure of hingganite-(Yb),
 (Y0.51Yb0.36Ca0.13)Fe0.065Be[SiO4](OH)
;
_journal_name_full               Kristallografiya
_journal_page_first              457
_journal_page_last               460
_journal_volume                  28
_journal_year                    1983
_chemical_formula_sum            'Be2 Ca0.26 Fe0.13 H2 O10 Si2 Y1.02 Yb0.72'
_chemical_name_mineral           Hingganite-(Yb)
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.45
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.888
_cell_length_b                   7.607
_cell_length_c                   4.740
_cell_volume                     356.522
_exptl_crystal_density_diffrn    4.370
_cod_original_formula_sum        '(Y1.02 Yb.72 Ca.26) Fe.13 Be2 Si2 O10 H2'
_cod_database_code               9013940
_database_code_amcsd 0014186
Awaruite, iridian awaruite, and a new Ru-Os-Ir-Ni-Fe alloy from the Sakhakot-Qila complex, Malakand-Agency, Pakistan
Ahmed, Z.; Bevan, J. C.; Mineralogical Magazine 44 (1981) 225–230; doi:10.1180/minmag.1981.044.334.17

data_9013941
_publ_section_title
;
 Awaruite, iridian awaruite, and a new Ru-Os-Ir-Ni-Fe alloy
 from the Sakhakot-Qila complex, Malakand-Agency, Pakistan
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              225
_journal_page_last               230
_journal_paper_doi               10.1180/minmag.1981.044.334.17
_journal_volume                  44
_journal_year                    1981
_chemical_compound_source
'Sakhakot-Qila complex, Malakand-Agency, Pakistan'
_chemical_formula_sum            'Fe Ni3'
_chemical_name_mineral           Awaruite
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.545
_cell_length_b                   3.545
_cell_length_c                   3.545
_cell_formula_units_Z            1
_cell_volume                     44.550
_database_code_amcsd             0014474
_exptl_crystal_density_diffrn    8.644
_cod_database_code               9013941
The crystal structure of szenicsite, Cu3MoO4(OH)4
Burns, P. C.; Mineralogical Magazine 62 (1998) 461–469; doi:10.1180/002646198547837

data_9013942
_publ_section_title
;
 The crystal structure of szenicsite, Cu3MoO4(OH)4
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              461
_journal_page_last               469
_journal_paper_doi               10.1180/002646198547837
_journal_volume                  62
_journal_year                    1998
_chemical_formula_sum            'Cu3 H4 Mo O8'
_chemical_name_mineral           Szenicsite
_space_group_IT_number           58
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.5201
_cell_length_b                   12.545
_cell_length_c                   6.0794
_cell_formula_units_Z            4
_cell_volume                     649.795
_database_code_amcsd             0014535
_exptl_crystal_density_diffrn    4.279
_cod_original_formula_sum        'Cu3 Mo O8 H4'
_cod_database_code               9013942
Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of paratacamite Locality: Generosa mine, Sierra Gorda, Chile
Braithwaite, R. S. W.; Mereiter, K.; Paar, W. H.; Clark, A. M.; Mineralogical Magazine 68 (2004) 527–539; doi:10.1180/0026461046830204

data_9013943
_publ_section_title
;Herbertsmithite, Cu3Zn(OH)6Cl2, a new species and the definition of
 paratacamite Locality: Generosa mine, Sierra Gorda, Chile
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              527
_journal_page_last               539
_journal_paper_doi               10.1180/0026461046830204
_journal_volume                  68
_journal_year                    2004
_chemical_compound_source
'Mina Los Tres Presidentes, Sierra Gorda, Chile'
_chemical_formula_sum            'Cl2 Cu3 H6 O6 Zn'
_chemical_name_mineral           Herbertsmithite
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.834(1)
_cell_length_b                   6.834(1)
_cell_length_c                   14.075(2)
_cell_volume                     569.284
_database_code_amcsd             0014574
_exptl_crystal_density_diffrn    3.754
_cod_original_formula_sum        'Zn Cu3 O6 Cl2 H6'
_cod_database_code               9013943