LMucko/crystallography-open-database huggingface dataset:
Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O
Venetopoulos, C. C.; Rentzeperis, P. J.; Zeitschrift fur Kristallographie 144 (1976) 377–392; doi:

data_9008260
_publ_section_title
;
 Redetermination of the crystal structure of clinohedrite, CaZnSiO4*H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              377
_journal_page_last               392
_journal_volume                  144
_journal_year                    1976
_chemical_formula_sum            'Ca H2 O5 Si Zn'
_chemical_name_mineral           Clinohedrite
_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                 103.26
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.090
_cell_length_b                   15.829
_cell_length_c                   5.386
_cell_volume                     422.379
_database_code_amcsd             0010788
_exptl_crystal_density_diffrn    3.390
_cod_original_formula_sum        'Ca Zn Si O5 H2'
_cod_database_code               9008260
Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3 und das trimeritgesetz der verzwillingung
Klaska, K. H.; Jarchow, O.; Zeitschrift fur Kristallographie 145 (1977) 46–65; doi:

data_9008261
_publ_section_title
;
 Die Bestimmung der kristallstruktur von trimerit CaMn2(BeSiO4)3
 und das trimeritgesetz der verzwillingung
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              46
_journal_page_last               65
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source        'Langban, Varmland, Sweden'
_chemical_formula_sum            'Be3 Ca Mn2 O12 Si3'
_chemical_name_mineral           Trimerite
_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                 90.0
_cell_angle_gamma                90
_cell_length_a                   8.098
_cell_length_b                   7.613
_cell_length_c                   14.065
_cell_formula_units_Z            4
_cell_volume                     867.108
_database_code_amcsd             0010789
_exptl_crystal_density_diffrn    3.472
_cod_original_formula_sum        'Ca Mn2 Be3 Si3 O12'
_cod_database_code               9008261
Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: low-temperature polymorph that inverted from the high-temperature polymorph Note: only half of the O atoms have been located Locality: Oldoinyo Lengai, Tanzania
McKie, D.; Frankis, E. J.; Zeitschrift fur Kristallographie 145 (1977) 73–95; doi:

data_9008262
_publ_section_title
;Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania
 Note: low-temperature polymorph that inverted from the high-temperature
 polymorph Note: only half of the O atoms have been located Locality: Oldoinyo
 Lengai, Tanzania
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               95
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source        'Oldoinyo Lengai, Tanzania'
_chemical_formula_sum            'C2 Ca K0.36 Na1.64 O3'
_chemical_name_mineral           Nyerereite
_space_group_IT_number           36
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.044
_cell_length_b                   8.809
_cell_length_c                   12.743
_cell_formula_units_Z            4
_cell_volume                     566.205
_database_code_amcsd             0010790
_exptl_crystal_density_diffrn    1.922
_cod_original_formula_sum        'Ca Na1.64 K.36 C2 O3'
_cod_database_code               9008262
Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania Note: high-temperature polymorph with an structure that has been inferred
McKie, D.; Frankis, E. J.; Zeitschrift fur Kristallographie 145 (1977) 73–95; doi:

data_9008263
_publ_section_title
;
 Nyerereite: A new volcanic carbonate mineral from Oldoinyo Lengai, Tanzania
 Note: high-temperature polymorph with an structure that has been inferred
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               95
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source        'Oldoinyo Lengai, Tanzania'
_chemical_formula_sum            'C2 Ca K0.36 Na1.64 O6'
_chemical_name_mineral           Nyerereite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.05
_cell_length_b                   5.05
_cell_length_c                   12.85
_cell_volume                     283.803
_database_code_amcsd             0010791
_exptl_crystal_density_diffrn    2.479
_cod_original_formula_sum        'Ca Na1.64 K.36 C2 O6'
_cod_database_code               9008263
Clinoptilolite: The distribution of potassium atoms and its role in thermal stability Note: z(Wat7) corrected
Koyama, K.; Takeuchi, Y.; Zeitschrift fur Kristallographie 145 (1977) 216–239; doi:10.1524/zkri.1977.145.3-4.216

data_9008264
_publ_section_title
;
 Clinoptilolite: The distribution of potassium atoms
 and its role in thermal stability
 Note: z(Wat7) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              216
_journal_page_last               239
_journal_paper_doi               10.1524/zkri.1977.145.3-4.216
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source        'Kuruma Pass, Fukushima Prefecture, Japan'
_chemical_formula_sum
'Al3.36 Ca H30 K0.74 Mg0.04 Na1.12 O47.38 Si14.64'
_chemical_name_mineral           Clinoptilolite-Ca
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.47
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.6600
_cell_length_b                   17.963
_cell_length_c                   7.400
_cell_volume                     2101.386
_database_code_amcsd             0010792
_exptl_crystal_density_diffrn    2.190
_cod_original_cell_volume        2101.385
_cod_original_formula_sum
'Na1.12 Ca K.74 Mg.04 (Si14.64 Al3.36) O47.38 H30'
_cod_database_code               9008264
Clinoptilolite: The distribution of potassium atoms and its role in thermal stability Note: z(O3) corrected
Koyama, K.; Takeuchi, Y.; Zeitschrift fur Kristallographie 145 (1977) 216–239; doi:10.1524/zkri.1977.145.3-4.216

data_9008265
_publ_section_title
;
 Clinoptilolite: The distribution of potassium atoms
 and its role in thermal stability
 Note: z(O3) corrected
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              216
_journal_page_last               239
_journal_paper_doi               10.1524/zkri.1977.145.3-4.216
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source        'Agoura, California, USA'
_chemical_formula_sum
'Al3.08 Ca0.62 H30 K0.88 Mg0.1 Na0.92 O46.66 Si14.92'
_chemical_name_mineral           Clinoptilolite-Ca
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.40
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   17.6620
_cell_length_b                   17.911
_cell_length_c                   7.407
_cell_volume                     2098.797
_database_code_amcsd             0010793
_exptl_crystal_density_diffrn    2.155
_cod_original_cell_volume        2098.796
_cod_original_formula_sum
'Na.92 Ca.62 K.88 Mg.1 (Si14.92 Al3.08) O46.66 H30'
_cod_database_code               9008265
Refinement of the crystal structure of alpha domeykite, a structure related to the A15 type
Iglesias, J. E.; Nowacki, W.; Zeitschrift fur Kristallographie 145 (1977) 334–345; doi:

data_9008266
_publ_section_title
;
 Refinement of the crystal structure of alpha domeykite,
 a structure related to the A15 type
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              334
_journal_page_last               345
_journal_volume                  145
_journal_year                    1977
_chemical_compound_source
'Mohawk No. 2 mine, Keweenaw County, Michigan, USA'
_chemical_formula_sum            'As Cu3'
_chemical_name_mineral           Domeykite
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.619
_cell_length_b                   9.619
_cell_length_c                   9.619
_cell_formula_units_Z            16
_cell_volume                     890.000
_database_code_amcsd             0010794
_exptl_crystal_density_diffrn    7.928
_cod_original_formula_sum        'Cu3 As'
_cod_database_code               9008266
The crystal structure of bicchulite, Ca2[Al2SiO6](OH)2
Sahl, K.; Chatterjee, N. D.; Zeitschrift fur Kristallographie 146 (1977) 35–41; doi:

data_9008267
_publ_section_title
;
 The crystal structure of bicchulite, Ca2[Al2SiO6](OH)2
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              35
_journal_page_last               41
_journal_volume                  146
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca2 H2 O8 Si'
_chemical_name_mineral           Bicchulite
_space_group_IT_number           217
_symmetry_space_group_name_Hall  'I -4 2 3'
_symmetry_space_group_name_H-M   'I -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.825
_cell_length_b                   8.825
_cell_length_c                   8.825
_cell_formula_units_Z            4
_cell_volume                     687.297
_database_code_amcsd             0010796
_exptl_crystal_density_diffrn    2.824
_cod_original_formula_sum        'Ca2 (Al2 Si) O8 H2'
_cod_database_code               9008267
The crystal structure of taeniolite, KLiMg2Si4O10F2 Note: this is the 1M polytype
Toraya, H.; Iwai, S.; Marumo, F.; Hirao, M.; Zeitschrift fur Kristallographie 146 (1977) 73–83; doi:

data_9008268
_publ_section_title
;
 The crystal structure of taeniolite, KLiMg2Si4O10F2
 Note: this is the 1M polytype
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              73
_journal_page_last               83
_journal_volume                  146
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F2 K0.967 Li0.966 Mg2.034 O10 Si4'
_chemical_name_mineral           Tainiolite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.86
_cell_angle_gamma                90
_cell_length_a                   5.231
_cell_length_b                   9.065
_cell_length_c                   10.140
_cell_formula_units_Z            2
_cell_volume                     473.727
_database_code_amcsd             0010797
_exptl_crystal_density_diffrn    2.834
_cod_original_formula_sum        'K.967 (Mg2.034 Li.966) Si4 O10 F2'
_cod_database_code               9008268
A neutron-diffraction study of hemimorphite
Hill, R. J.; Gibbs, G. V.; Ross, F. K.; Williams, J. M.; Zeitschrift fur Kristallographie 146 (1977) 241–259; doi:10.1524/zkri.1977.146.4-6.241

data_9008269
_publ_section_title
;
 A neutron-diffraction study of hemimorphite
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              241
_journal_page_last               259
_journal_paper_doi               10.1524/zkri.1977.146.4-6.241
_journal_volume                  146
_journal_year                    1977
_chemical_formula_sum            'H2 O5 Si Zn2'
_chemical_name_mineral           Hemimorphite
_space_group_IT_number           44
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.367
_cell_length_b                   10.73
_cell_length_c                   5.115
_cell_formula_units_Z            4
_cell_volume                     459.214
_database_code_amcsd             0010798
_exptl_crystal_density_diffrn    3.484
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               9008269
Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets
Mellini, M.; Merlino, S.; Zeitschrift fur Kristallographie 147 (1978) 129–140; doi:10.1524/zkri.1978.147.1-2.129

data_9008270
_publ_section_title
;
 Ktenasite, another mineral with 2[(Cu,Zn)2(OH)3O]- octahedral sheets
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              129
_journal_page_last               140
_journal_paper_doi               10.1524/zkri.1978.147.1-2.129
_journal_volume                  147
_journal_year                    1978
_chemical_compound_source        'Miniera Trentin, Vicenza, Italy'
_chemical_formula_sum            'Cu2.4 H18 O20 S2 Zn2.6'
_chemical_name_mineral           Ktenasite
_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                 95.55
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.589
_cell_length_b                   6.166
_cell_length_c                   23.751
_cell_volume                     814.665
_database_code_amcsd             0010799
_exptl_crystal_density_diffrn    2.955
_cod_original_formula_sum        'Cu2.4 Zn2.6 S2 O20 H18'
_cod_database_code               9008270
The crystal structure of emeleusite, a novel example of sechser-doppelkette Locality: Igdlutalik Island, Julianchab District, Greenland
Johnsen, O.; Nielsen, K.; Sotofte, I.; Zeitschrift fur Kristallographie 147 (1978) 297–306; doi:

data_9008271
_publ_section_title
;
 The crystal structure of emeleusite,
 a novel example of sechser-doppelkette
 Locality: Igdlutalik Island, Julianchab District, Greenland
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              297
_journal_page_last               306
_journal_volume                  147
_journal_year                    1978
_chemical_formula_sum            'Fe Li Na2 O15 Si6'
_chemical_name_mineral           Emeleusite
_space_group_IT_number           64
_space_group_name_Hall           '-A 2 2ab'
_space_group_name_H-M_alt        'A e a m'
_symmetry_space_group_name_Hall  '-A 2 2ab'
_symmetry_space_group_name_H-M   'A e a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   10.072
_cell_length_b                   17.337
_cell_length_c                   14.004
_cell_formula_units_Z            8
_cell_volume                     2445.354
_exptl_crystal_density_diffrn    2.810
_cod_original_sg_symbol_H-M      'A c a m'
_cod_original_formula_sum        'Na2 Li Fe Si6 O15'
_cod_database_code               9008271
_database_code_amcsd 0010800
Structure cristalline de la chalconatronite synthetique: Na2Cu(CO3)2*3H2O
Mosset, A.; Bonnet, J. J.; Galy, J.; Zeitschrift fur Kristallographie 148 (1978) 165–177; doi:

data_9008272
_publ_section_title
;
 Structure cristalline de la chalconatronite synthetique: Na2Cu(CO3)2*3H2O
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              165
_journal_page_last               177
_journal_volume                  148
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C2 H2 Cu Na2 O9'
_chemical_name_mineral           Chalconatronite
_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                 91.83
_cell_angle_gamma                90
_cell_length_a                   9.696
_cell_length_b                   6.101
_cell_length_c                   13.779
_cell_formula_units_Z            4
_cell_volume                     814.685
_database_code_amcsd             0010801
_exptl_crystal_density_diffrn    2.279
_cod_original_formula_sum        'Na2 Cu C2 O9 H2'
_cod_database_code               9008272
The crystal structure of gamma Ag8GeTe6, a potential mixed electronic- ionic conductor Note: model with Ag distributed only over tetrahedral sites, R = 9.7%
Geller, S.; Zeitschrift fur Kristallographie 149 (1979) 31–47; doi:

data_9008273
_publ_section_title
;
 The crystal structure of gamma Ag8GeTe6, a potential mixed electronic-
 ionic conductor
 Note: model with Ag distributed only over tetrahedral sites, R = 9.7%
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              31
_journal_page_last               47
_journal_volume                  149
_journal_year                    1979
_chemical_formula_structural     Ag8GeTe6
_chemical_formula_sum            'Ag8.012 Ge Te6'
_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                   11.58
_cell_length_b                   11.58
_cell_length_c                   11.58
_cell_formula_units_Z            4
_cell_volume                     1552.836
_database_code_amcsd             0010802
_exptl_crystal_density_diffrn    7.282
_cod_database_code               9008273
_amcsd_formula_title             Ag8GeTe6
The crystal structure of gamma Ag8GeTe6, a potential mixed electronic- ionic conductor Note: proposed model, R = 8.0%
Geller, S.; Zeitschrift fur Kristallographie 149 (1979) 31–47; doi:

data_9008274
_publ_section_title
;
 The crystal structure of gamma Ag8GeTe6, a potential mixed electronic-
 ionic conductor
 Note: proposed model, R = 8.0%
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              31
_journal_page_last               47
_journal_volume                  149
_journal_year                    1979
_chemical_formula_structural     Ag8GeTe6
_chemical_formula_sum            'Ag7.946 Ge Te6'
_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                   11.58
_cell_length_b                   11.58
_cell_length_c                   11.58
_cell_formula_units_Z            4
_cell_volume                     1552.836
_database_code_amcsd             0010803
_exptl_crystal_density_diffrn    7.252
_cod_database_code               9008274
_amcsd_formula_title             Ag8GeTe6
Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler neben tetraedrischer koordination
Otto, H. H.; Zeitschrift fur Kristallographie 149 (1979) 197–205; doi:10.1524/zkri.1979.149.3-4.197

data_9008275
_publ_section_title
;
 Die kristallstruktur von PbGe3O7 mit Ge4+ in trigonal-dipyramidaler
 neben tetraedrischer koordination
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              197
_journal_page_last               205
_journal_paper_doi               10.1524/zkri.1979.149.3-4.197
_journal_volume                  149
_journal_year                    1979
_chemical_formula_structural     PbGe3O7
_chemical_formula_sum            'Ge3 O7 Pb'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.270
_cell_length_b                   14.097
_cell_length_c                   16.059
_cell_formula_units_Z            8
_cell_volume                     1193.042
_database_code_amcsd             0010804
_exptl_crystal_density_diffrn    5.980
_cod_original_formula_sum        'Pb Ge3 O7'
_cod_database_code               9008275
_amcsd_formula_title             PbGe3O7
Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4]
Otto, H. H.; Zeitschrift fur Kristallographie 149 (1979) 227–240; doi:

data_9008276
_publ_section_title
;
 Die kristallstruktur der ferroischen verbindung Pb3[O|GeO4]
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              227
_journal_page_last               240
_journal_volume                  149
_journal_year                    1979
_chemical_formula_structural     Pb3GeO5
_chemical_formula_sum            'Ge O5 Pb3'
_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                 92.55
_cell_angle_gamma                90
_cell_length_a                   5.260
_cell_length_b                   10.437
_cell_length_c                   5.477
_cell_formula_units_Z            2
_cell_volume                     300.382
_database_code_amcsd             0010805
_exptl_crystal_density_diffrn    8.560
_cod_original_formula_sum        'Pb3 Ge O5'
_cod_database_code               9008276
_amcsd_formula_title             Pb3GeO5
Posnjakite: [Cu4(OH)6(H2O)O] octahedral sheets in its structure
Mellini, M.; Merlino, S.; Zeitschrift fur Kristallographie 149 (1979) 249–257; doi:

data_9008277
_publ_section_title
;
 Posnjakite: [Cu4(OH)6(H2O)O] octahedral sheets in its structure
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              249
_journal_page_last               257
_journal_volume                  149
_journal_year                    1979
_chemical_compound_source        'Fowey Consols, England'
_chemical_formula_sum            'Cu4 H8 O11 S'
_chemical_name_mineral           Posnjakite
_space_group_IT_number           7
_symmetry_space_group_name_Hall  'P -2ya'
_symmetry_space_group_name_H-M   'P 1 a 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.578
_cell_length_b                   6.345
_cell_length_c                   7.863
_cell_volume                     466.057
_database_code_amcsd             0010806
_exptl_crystal_density_diffrn    3.351
_cod_depositor_comments
;
    Z value inserted to be consistent with given formula
                               miguel
;
_cod_original_formula_sum        'Cu4 S O11 H8'
_cod_database_code               9008277