LMucko/crystallography-open-database huggingface dataset:
Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K
Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T.; Zeitschrift fur Kristallographie 186 (1989) 213–215; doi:

data_9008392
_publ_section_title
;
 Deformationsdichten in CoS2 und NiS2 mit pyritstruktur
 Note: T = 295 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  186
_journal_year                    1989
_chemical_formula_sum            'Ni S2'
_chemical_name_mineral           Vaesite
_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                   5.6865
_cell_length_b                   5.6865
_cell_length_c                   5.6865
_cell_formula_units_Z            4
_cell_volume                     183.880
_database_code_amcsd             0010990
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    4.437
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9008392
Deformationsdichten in CoS2 und NiS2 mit pyritstruktur Note: T = 295 K Note: pyrite structure
Nowack, E.; Schwarzenbach, D.; Gonschorek, W.; Hahn, T.; Zeitschrift fur Kristallographie 186 (1989) 213–215; doi:

data_9008393
_publ_section_title
;
 Deformationsdichten in CoS2 und NiS2 mit pyritstruktur
 Note: T = 295 K
 Note: pyrite structure
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              213
_journal_page_last               215
_journal_volume                  186
_journal_year                    1989
_chemical_formula_sum            'Co S2'
_chemical_name_mineral           Cattierite
_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                   5.5385
_cell_length_b                   5.5385
_cell_length_c                   5.5385
_cell_formula_units_Z            4
_cell_volume                     169.893
_database_code_amcsd             0010991
_diffrn_ambient_temperature      295
_exptl_crystal_density_diffrn    4.811
_cod_original_sg_symbol_H-M      'P a 3'
_cod_database_code               9008393
The crystal structure of the meteoritic mineral krinovite, NaNaMg2CrSi3O10
Bonaccorsi, E.; Merlino, S.; Pasero, M.; Zeitschrift fur Kristallographie 187 (1989) 133–138; doi:

data_9008394
_publ_section_title
;
 The crystal structure of the meteoritic mineral krinovite, NaNaMg2CrSi3O10
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              133
_journal_page_last               138
_journal_volume                  187
_journal_year                    1989
_chemical_compound_source        'Wichita County, USA'
_chemical_formula_sum            'Cr Fe0.1 Mg1.9 Na O10 Si3'
_chemical_name_mineral           Krinovite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                105.15
_cell_angle_beta                 96.50
_cell_angle_gamma                125.15
_cell_length_a                   10.238
_cell_length_b                   10.642
_cell_length_c                   8.770
_cell_formula_units_Z            4
_cell_volume                     710.794
_database_code_amcsd             0010992
_exptl_crystal_density_diffrn    3.467
_cod_original_formula_sum        'Na (Mg1.9 Fe.1) Cr Si3 O10'
_cod_database_code               9008394
The structure of calomel, Hg2Cl2, derived from neutron powder data
Calos, N. J.; Kennard, C. H. L.; Davis, R. L.; Zeitschrift fur Kristallographie 187 (1989) 305–307; doi:

data_9008395
_publ_section_title
;
 The structure of calomel, Hg2Cl2, derived from neutron powder data
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              305
_journal_page_last               307
_journal_volume                  187
_journal_year                    1989
_chemical_formula_sum            'Cl2 Hg2'
_chemical_name_mineral           Calomel
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.4795
_cell_length_b                   4.4795
_cell_length_c                   10.9054
_cell_formula_units_Z            2
_cell_volume                     218.827
_database_code_amcsd             0010993
_exptl_crystal_density_diffrn    7.165
_cod_depositor_comments
;

2024-05-03
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum        'Hg Cl'
_cod_database_code               9008395
Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe, Osterreich
Walitzi, E. M.; Walter, F.; Ettinger, K.; Zeitschrift fur Kristallographie 188 (1989) 237–244; doi:

data_9008396
_publ_section_title
;Verfeinerung der kristallstruktur von anthophyllit vom Ochsenkogel/Gleinalpe,
 Osterreich
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              237
_journal_page_last               244
_journal_volume                  188
_journal_year                    1989
_chemical_formula_sum
'Al0.05 Ca0.02 Fe1.24 H2 Mg5.71 Mn0.02 Na0.01 O24 Si7.95'
_chemical_name_mineral           Anthophyllite
_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_formula_units_Z            4
_cell_length_a                   18.544
_cell_length_b                   18.026
_cell_length_c                   5.282
_cell_volume                     1765.636
_database_code_amcsd             0010994
_exptl_crystal_density_diffrn    3.088
_cod_original_formula_sum
'Na.01 Ca.02 Mg5.71 Fe1.24 Mn.02 (Si7.95 Al.05) O24 H2'
_cod_database_code               9008396
The crystal structure of tokkoite and its relation to the structure of tinaksite Locality: Murun massif, southwestern Yakutia, Russia Note: anisotropic temperature factors taken from ICSD
Rozhdestvenskaya, I. V.; Nikishova, L. V.; Lazebnik Yu, D.; Lazebnik, K. A.; Zeitschrift fur Kristallographie 189 (1989) 195–204; doi:

data_9008397
_publ_section_title
;The crystal structure of tokkoite and its relation to the structure of
 tinaksite Locality: Murun massif, southwestern Yakutia, Russia Note:
 anisotropic temperature factors taken from ICSD
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              195
_journal_page_last               204
_journal_volume                  189
_journal_year                    1989
_chemical_compound_source        'Murun massif, southwestern Yakutia, Russia'
_chemical_formula_sum
'Ca3.43 F0.61 Fe0.15 H1.39 K1.85 Mg0.06 Mn0.08 Na0.15 O19.39 Si7 Ti0.13'
_chemical_name_mineral           Tokkoite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                89.92
_cell_angle_beta                 99.75
_cell_angle_gamma                92.89
_cell_formula_units_Z            2
_cell_length_a                   10.438
_cell_length_b                   12.511
_cell_length_c                   7.112
_cell_volume                     914.152
_database_code_amcsd             0010996
_exptl_crystal_density_diffrn    2.738
_cod_original_formula_sum
'K1.85 Ca3.43 Ti.13 Na.15 Fe.15 Mn.08 Mg.06 Si7 O19.39 F.61 H1.39'
_cod_database_code               9008397
Gravegliaite, MnSO3*3H2O, a new mineral from Val Graveglia (Northern Apennines, Italy)
Basso, R.; Lucchetti, G.; Palenzona, A.; Zeitschrift fur Kristallographie 197 (1991) 97–106; doi:

data_9008398
_publ_section_title
;
 Gravegliaite, MnSO3*3H2O, a new mineral from Val Graveglia
 (Northern Apennines, Italy)
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              97
_journal_page_last               106
_journal_volume                  197
_journal_year                    1991
_chemical_compound_source
'Gambatesa mine, Val Graveglia, Northern Apennines, Italy'
_chemical_formula_sum            'H6 Mn O6 S'
_chemical_name_mineral           Gravegliaite
_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_formula_units_Z            4
_cell_length_a                   9.763
_cell_length_b                   5.635
_cell_length_c                   9.558
_cell_volume                     525.829
_database_code_amcsd             0011006
_exptl_crystal_density_diffrn    2.388
_cod_depositor_comments
;
    Z value inserted to be consistent with given formula
                               miguel
;
_cod_original_formula_sum        'Mn S O6 H6'
_cod_database_code               9008398
The structure of acuminite, a strontium aluminium fluoride mineral
Krogh Andersen, E.; Ploug-Sorensen G; Leonardsen, E.; Zeitschrift fur Kristallographie 194 (1991) 221–227; doi:10.1524/zkri.1991.194.3-4.221

data_9008399
_publ_section_title
;
 The structure of acuminite, a strontium aluminium fluoride mineral
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              221
_journal_page_last               227
_journal_paper_doi               10.1524/zkri.1991.194.3-4.221
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        'Ivigtut, Greenland'
_chemical_formula_sum            'Al F4 H3 O2 Sr'
_chemical_name_mineral           Acuminite
_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                 111.61
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.223
_cell_length_b                   5.175
_cell_length_c                   14.251
_cell_volume                     906.639
_database_code_amcsd             0010999
_exptl_crystal_density_diffrn    3.306
_cod_original_formula_sum        'Sr Al F4 (O2 H3)'
_cod_database_code               9008399
The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa
Sowa, H.; Zeitschrift fur Kristallographie 194 (1991) 291–304; doi:

data_9008400
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 0 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               304
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al As O4'
_chemical_name_mineral           Alarsite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.028
_cell_length_b                   5.028
_cell_length_c                   11.228
_cell_formula_units_Z            3
_cell_volume                     245.824
_database_code_amcsd             0011000
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.362
_cod_database_code               9008400
The crystal structure of AlAsO4 at high pressure Note: P = 0 GPa, in the diamond anvil cell
Sowa, H.; Zeitschrift fur Kristallographie 194 (1991) 291–304; doi:

data_9008401
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 0 GPa, in the diamond anvil cell
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               304
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al As O4'
_chemical_name_mineral           Alarsite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.030
_cell_length_b                   5.030
_cell_length_c                   11.234
_cell_formula_units_Z            3
_cell_volume                     246.151
_database_code_amcsd             0011001
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    3.358
_cod_database_code               9008401
The crystal structure of AlAsO4 at high pressure Note: P = 1.81 GPa
Sowa, H.; Zeitschrift fur Kristallographie 194 (1991) 291–304; doi:

data_9008402
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 1.81 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               304
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al As O4'
_chemical_name_mineral           Alarsite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.945
_cell_length_b                   4.945
_cell_length_c                   11.135
_cell_formula_units_Z            3
_cell_volume                     235.805
_database_code_amcsd             0011002
_diffrn_ambient_pressure         1.81e+06
_exptl_crystal_density_diffrn    3.505
_cod_database_code               9008402
The crystal structure of AlAsO4 at high pressure Note: P = 2.99 GPa
Sowa, H.; Zeitschrift fur Kristallographie 194 (1991) 291–304; doi:

data_9008403
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 2.99 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               304
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al As O4'
_chemical_name_mineral           Alarsite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.873
_cell_length_b                   4.873
_cell_length_c                   11.071
_cell_formula_units_Z            3
_cell_volume                     227.672
_database_code_amcsd             0011003
_diffrn_ambient_pressure         2.99e+06
_exptl_crystal_density_diffrn    3.630
_cod_database_code               9008403
The crystal structure of AlAsO4 at high pressure Note: P = 4.87 GPa
Sowa, H.; Zeitschrift fur Kristallographie 194 (1991) 291–304; doi:

data_9008404
_publ_section_title
;
 The crystal structure of AlAsO4 at high pressure
 Note: P = 4.87 GPa
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              291
_journal_page_last               304
_journal_volume                  194
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al As O4'
_chemical_name_mineral           Alarsite
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.799
_cell_length_b                   4.799
_cell_length_c                   11.003
_cell_formula_units_Z            3
_cell_volume                     219.454
_database_code_amcsd             0011004
_diffrn_ambient_pressure         4.87e+06
_exptl_crystal_density_diffrn    3.766
_cod_database_code               9008404
Solid solution and optical properties of (Al,Ge)-mullites
Saalfeld, H.; Gerlach, H.; Zeitschrift fur Kristallographie 195 (1991) 65–73; doi:

data_9008405
_publ_section_title
;
 Solid solution and optical properties of (Al,Ge)-mullites
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              65
_journal_page_last               73
_journal_volume                  195
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2.383 Ge0.617 O4.809'
_chemical_name_mineral           Mullite-Ge
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.644
_cell_length_b                   7.760
_cell_length_c                   2.923
_cell_formula_units_Z            2
_cell_volume                     173.385
_database_code_amcsd             0011005
_exptl_crystal_density_diffrn    3.564
_cod_original_formula_sum        'Al2.383 Ge.617 O4.809'
_cod_database_code               9008405
Order-disorder and polymorphism of the compound with the composition of scholzite, CaZn2[PO4]2*2H2O Note: hypothetical idealized structure Note: x(O2) corrected
Taxer, K. J.; Zeitschrift fur Kristallographie 198 (1992) 239–253; doi:10.1524/zkri.1992.198.3-4.239

data_9008406
_publ_section_title
;
 Order-disorder and polymorphism of the compound
 with the composition of scholzite, CaZn2[PO4]2*2H2O
 Note: hypothetical idealized structure
 Note: x(O2) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              239
_journal_page_last               253
_journal_paper_doi               10.1524/zkri.1992.198.3-4.239
_journal_volume                  198
_journal_year                    1992
_chemical_formula_sum            'Ca H4 O10 P2 Zn2'
_chemical_name_mineral           Scholzite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.149
_cell_length_b                   7.412
_cell_length_c                   6.667
_cell_volume                     847.432
_database_code_amcsd             0011011
_exptl_crystal_density_diffrn    3.110
_cod_original_formula_sum        'Ca Zn2 P2 O10 H4'
_cod_struct_determination_method theoretical
_cod_database_code               9008406
Order-disorder and polymorphism of the compound with the composition of scholzite, CaZn2[PO4]2*2H2O Note: hypothetical idealized structure Note: x(O2) corrected
Taxer, K. J.; Zeitschrift fur Kristallographie 198 (1992) 239–253; doi:10.1524/zkri.1992.198.3-4.239

data_9008407
_publ_section_title
;
 Order-disorder and polymorphism of the compound
 with the composition of scholzite, CaZn2[PO4]2*2H2O
 Note: hypothetical idealized structure
 Note: x(O2) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              239
_journal_page_last               253
_journal_paper_doi               10.1524/zkri.1992.198.3-4.239
_journal_volume                  198
_journal_year                    1992
_chemical_formula_sum            'Ca H4 O10 P2 Zn2'
_chemical_name_mineral           Parascholzite
_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                 106.25
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.863
_cell_length_b                   7.412
_cell_length_c                   6.667
_cell_volume                     847.450
_database_code_amcsd             0011012
_exptl_crystal_density_diffrn    3.110
_cod_original_formula_sum        'Ca Zn2 P2 O10 H4'
_cod_struct_determination_method theoretical
_cod_database_code               9008407
Crystal structure of rhodesite, HK1-xNax+2yCa2-y{lB,3,2}[Si8O19]*(6-z)H2O, from three localities and its relation to other silicates with dreier double layers Locality: Zeilberg, Germany
Hesse, K. F.; Liebau, F.; Merlino, S.; Zeitschrift fur Kristallographie 199 (1992) 25–48; doi:10.1524/zkri.1992.199.1-2.25

data_9008408
_publ_section_title
;Crystal structure of rhodesite, HK1-xNax+2yCa2-y{lB,3,2}[Si8O19]*(6-z)H2O,
 from three localities and its relation to other silicates with dreier double
 layers Locality: Zeilberg, Germany
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              25
_journal_page_last               48
_journal_paper_doi               10.1524/zkri.1992.199.1-2.25
_journal_volume                  199
_journal_year                    1992
_chemical_compound_source        'Zeilberg, Germany'
_chemical_formula_sum            'Ca0.504 H12 K0.249 O17.716 Si6'
_chemical_name_mineral           Rhodesite
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2 2a'
_symmetry_space_group_name_H-M   'P m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.416
_cell_length_b                   6.555
_cell_length_c                   7.050
_cell_volume                     1082.118
_database_code_amcsd             0011013
_exptl_crystal_density_diffrn    1.516
_cod_original_formula_sum        'K.249 Ca.504 Si6 O17.716 H12'
_cod_database_code               9008408
Crystal structure of rhodesite, HK1-xNax+2yCa2-y(lB,3,22)(Si8O19)*(6-z)H2O, from three localities and its relation to other silicates with dreier double layers Locality: Trinity County, California, USA
Hesse, K. F.; Liebau, F.; Merlino, S.; Zeitschrift fur Kristallographie 199 (1992) 25–48; doi:10.1524/zkri.1992.199.1-2.25

data_9008409
_publ_section_title
;Crystal structure of rhodesite, HK1-xNax+2yCa2-y(lB,3,22)(Si8O19)*(6-z)H2O,
 from three localities and its relation to other silicates with dreier double
 layers Locality: Trinity County, California, USA
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              25
_journal_page_last               48
_journal_paper_doi               10.1524/zkri.1992.199.1-2.25
_journal_volume                  199
_journal_year                    1992
_chemical_compound_source        'Trinity County, California, USA'
_chemical_formula_sum            'Ca0.494 H12 K0.255 O17.944 Si6'
_chemical_name_mineral           Rhodesite
_space_group_IT_number           51
_symmetry_space_group_name_Hall  '-P 2 2a'
_symmetry_space_group_name_H-M   'P m a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.4439
_cell_length_b                   6.553
_cell_length_c                   7.055
_cell_volume                     1083.845
_database_code_amcsd             0011014
_exptl_crystal_density_diffrn    1.524
_cod_original_formula_sum        'K.255 Ca.494 Si6 O17.944 H12'
_cod_database_code               9008409