LMucko/crystallography-open-database huggingface dataset:
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.; Journal of Solid State Chemistry 35 (1980) 112–119; doi:10.1016/0022-4596(80)90471-5

data_9013960
_publ_section_title
;
 Mise en evidence de CaFe4O6 et determination des structures cristalline des
 ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              112
_journal_page_last               119
_journal_paper_doi               10.1016/0022-4596(80)90471-5
_journal_volume                  35
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     CaFe4O6
_chemical_formula_sum            'Ca Fe4 O6'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.050
_cell_length_b                   9.986
_cell_length_c                   15.321
_cell_formula_units_Z            4
_cell_volume                     466.636
_database_code_amcsd             0013403
_exptl_crystal_density_diffrn    5.117
_cod_database_code               9013960
_amcsd_formula_title             CaFe4O6
Mise en evidence de CaFe4O6 et determination des structures cristalline des ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
Evrard, O.; Malaman, B.; Jeannot, F.; Courtois, A.; Alebouyeh, H.; Gerardin, R.; Journal of Solid State Chemistry 35 (1980) 112–119; doi:10.1016/0022-4596(80)90471-5

data_9013961
_publ_section_title
;
 Mise en evidence de CaFe4O6 et determination des structures cristalline des
 ferrites de calcium CaFe2+nO4+n (n=1,2,3): nouvel exemple d'intercroissance
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              112
_journal_page_last               119
_journal_paper_doi               10.1016/0022-4596(80)90471-5
_journal_volume                  35
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_structural     CaFe5O7
_chemical_formula_sum            'Ca Fe5 O7'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.052
_cell_length_b                   10.041
_cell_length_c                   17.966
_cell_formula_units_Z            4
_cell_volume                     550.570
_database_code_amcsd             0013404
_exptl_crystal_density_diffrn    5.203
_cod_database_code               9013961
_amcsd_formula_title             CaFe5O7
Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of spins s=1/2,
Vilminot, S.; Richard-Plouet M; Andre, G.; Swierczynski, D.; Guillot, M.; Bouree-Vigneron F; Drillon, M.; Journal of Solid State Chemistry 170 (2003) 255–264; doi:10.1016/S0022-4596(02)00081-6

data_9013962
_publ_section_title
;Magnetic structure and properties of Cu3(OH)4SO4 made of triple chains of
 spins s=1/2,
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              255
_journal_page_last               264
_journal_paper_doi               10.1016/S0022-4596(02)00081-6
_journal_volume                  170
_journal_year                    2003
_chemical_formula_structural     Cu3(SO4)(OH)4
_chemical_formula_sum            'Cu3 H4 O8 S'
_chemical_name_mineral           Antlerite
_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                   8.289
_cell_length_b                   6.079
_cell_length_c                   12.057
_cell_volume                     607.538
_database_code_amcsd             0014031
_exptl_crystal_density_diffrn    3.878
_cod_depositor_comments
;
         Z inserted to be consistent with given formula
                                          miguel
;
_cod_original_formula_sum        'Cu3 S O8 H4'
_cod_database_code               9013962
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.; Journal of Solid State Chemistry 180 (2007) 785–791; doi:10.1016/j.jssc.2006.12.006

data_9013963
_publ_section_title
;The structure and ordering of zirconium and hafnium containing garnets
 studied by electron channelling, neutron diffraction and Mossbauer
 spectroscopy Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              785
_journal_page_last               791
_journal_paper_doi               10.1016/j.jssc.2006.12.006
_journal_volume                  180
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ca3Zr2FeAlSiO12
_chemical_formula_sum            'Al1.05 Ca3 Fe0.93 O12 Si0.93 Zr2'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.5122
_cell_length_b                   12.5122
_cell_length_c                   12.5122
_cell_formula_units_Z            8
_cell_volume                     1958.849
_database_code_amcsd             0014050
_exptl_crystal_density_diffrn    4.076
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 Zr2 Al1.05 Fe.93 Si.93 O12'
_cod_database_code               9013963
_amcsd_formula_title             Ca3Zr2FeAlSiO12
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.; Journal of Solid State Chemistry 180 (2007) 785–791; doi:10.1016/j.jssc.2006.12.006

data_9013964
_publ_section_title
;The structure and ordering of zirconium and hafnium containing garnets
 studied by electron channelling, neutron diffraction and Mossbauer
 spectroscopy Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              785
_journal_page_last               791
_journal_paper_doi               10.1016/j.jssc.2006.12.006
_journal_volume                  180
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ca3Zr2Fe1.5Al0.5SiO12
_chemical_formula_sum            'Al0.48 Ca3 Fe1.44 O12 Si0.81 Zr2'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.5844
_cell_length_b                   12.5844
_cell_length_c                   12.5844
_cell_formula_units_Z            8
_cell_volume                     1992.955
_database_code_amcsd             0014051
_exptl_crystal_density_diffrn    4.071
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 Zr2 Al.48 Fe1.44 Si.81 O12'
_cod_database_code               9013964
_amcsd_formula_title             Ca3Zr2Fe1.5Al0.5SiO12
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.; Journal of Solid State Chemistry 180 (2007) 785–791; doi:10.1016/j.jssc.2006.12.006

data_9013965
_publ_section_title
;The structure and ordering of zirconium and hafnium containing garnets
 studied by electron channelling, neutron diffraction and Mossbauer
 spectroscopy Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              785
_journal_page_last               791
_journal_paper_doi               10.1016/j.jssc.2006.12.006
_journal_volume                  180
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Ca3 Fe1.95 O12 Si0.93 Zr2'
_chemical_name_mineral           Kerimasit
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.6164
_cell_length_b                   12.6164
_cell_length_c                   12.6164
_cell_formula_units_Z            8
_cell_volume                     2008.197
_database_code_amcsd             0014052
_exptl_crystal_density_diffrn    4.165
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 Zr2 Fe1.95 Si.93 O12'
_cod_database_code               9013965
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.; Journal of Solid State Chemistry 180 (2007) 785–791; doi:10.1016/j.jssc.2006.12.006

data_9013966
_publ_section_title
;The structure and ordering of zirconium and hafnium containing garnets
 studied by electron channelling, neutron diffraction and Mossbauer
 spectroscopy Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              785
_journal_page_last               791
_journal_paper_doi               10.1016/j.jssc.2006.12.006
_journal_volume                  180
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ca3Hf2FeAlSiO12
_chemical_formula_sum            'Al1.23 Ca3 Fe0.99 Hf2 O12 Si0.99'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.5145
_cell_length_b                   12.5145
_cell_length_c                   12.5145
_cell_formula_units_Z            8
_cell_volume                     1959.930
_database_code_amcsd             0014053
_exptl_crystal_density_diffrn    5.324
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 Hf2 Al1.23 Fe.99 Si.99 O12'
_cod_database_code               9013966
_amcsd_formula_title             Ca3Hf2FeAlSiO12
The structure and ordering of zirconium and hafnium containing garnets studied by electron channelling, neutron diffraction and Mossbauer spectroscopy Locality: synthetic
Whittle, K. R.; Lumpkin, G. R.; Berry, F. J.; Oates, G.; Smith, K. L.; Yudintsev, S.; Zaluzec, N. J.; Journal of Solid State Chemistry 180 (2007) 785–791; doi:10.1016/j.jssc.2006.12.006

data_9013967
_publ_section_title
;The structure and ordering of zirconium and hafnium containing garnets
 studied by electron channelling, neutron diffraction and Mossbauer
 spectroscopy Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              785
_journal_page_last               791
_journal_paper_doi               10.1016/j.jssc.2006.12.006
_journal_volume                  180
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_structural     Ca3Hf2Fe2SiO12
_chemical_formula_sum            'Ca3 Fe2.16 Hf2 O12 Si0.99'
_space_group_IT_number           230
_symmetry_space_group_name_Hall  '-I 4bd 2c 3'
_symmetry_space_group_name_H-M   'I a -3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   12.5898
_cell_length_b                   12.5898
_cell_length_c                   12.5898
_cell_formula_units_Z            8
_cell_volume                     1995.522
_database_code_amcsd             0014054
_exptl_crystal_density_diffrn    5.443
_cod_original_sg_symbol_H-M      'I a 3 d'
_cod_original_formula_sum        'Ca3 Hf2 Fe2.16 Si.99 O12'
_cod_database_code               9013967
_amcsd_formula_title             Ca3Hf2Fe2SiO12
Carbonate-substituted phosphoellenbergerite from Modum, Norway: description and crystal structure
Raade, G.; Romming, C.; Medenbach, O.; Mineralogy and Petrology 62 (1998) 89–101; doi:10.1007/BF01173764

data_9013968
_publ_section_title
;Carbonate-substituted phosphoellenbergerite from Modum, Norway: description
 and crystal structure
;
_journal_name_full               'Mineralogy and Petrology'
_journal_page_first              89
_journal_page_last               101
_journal_paper_doi               10.1007/BF01173764
_journal_volume                  62
_journal_year                    1998
_chemical_formula_sum            'C0.38 H6.92 As0.3 Mg6.68 O18.62 P3.32'
_chemical_name_mineral           Phosphoellenbergerite
_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                   12.467
_cell_length_b                   12.467
_cell_length_c                   5.0437
_cell_volume                     678.897
_database_code_amcsd             0014640
_exptl_crystal_density_diffrn    2.921
_cod_original_formula_sum        'Mg6.68 P3.32 As.3 C.38 O18.62 H6.92'
_cod_database_code               9013968
An X-ray crystallographic, Raman, and infrared spectral study of crystalline potassium uranyl carbonate, K4UO2(CO3)3
Anderson, A.; Chieh, C.; Irish, D. E.; Tong, J. P. K.; Canadian Journal of Chemistry 58 (1980) 1651–1658; doi:10.1139/v80-264

data_9013969
_publ_section_title
;
 An X-ray crystallographic, Raman, and infrared spectral study of
 crystalline potassium uranyl carbonate, K4UO2(CO3)3
;
_journal_name_full               'Canadian Journal of Chemistry'
_journal_page_first              1651
_journal_page_last               1658
_journal_paper_doi               10.1139/v80-264
_journal_volume                  58
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            'C3 K4 O11 U'
_chemical_name_mineral           Agricolaite
_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                 95.11
_cell_angle_gamma                90
_cell_length_a                   10.247
_cell_length_b                   9.202
_cell_length_c                   12.226
_cell_formula_units_Z            4
_cell_volume                     1148.243
_database_code_amcsd             0012166
_exptl_crystal_density_diffrn    3.508
_cod_original_formula_sum        'K4 U C3 O11'
_cod_database_code               9013969
Refinement of the structure of MnSi by powder diffraction
Jorgensen, J. E.; Rasmussen, S. E.; Powder Diffraction 6 (1991) 194–195; doi:10.1017/S0885715600017504

data_9013970
_publ_section_title
;
 Refinement of the structure of MnSi by powder diffraction
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              194
_journal_page_last               195
_journal_paper_doi               10.1017/S0885715600017504
_journal_volume                  6
_journal_year                    1991
_chemical_formula_structural     MnSi
_chemical_formula_sum            'Mn Si'
_chemical_name_mineral           Brownleeite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.5559
_cell_length_b                   4.5559
_cell_length_c                   4.5559
_cell_formula_units_Z            4
_cell_volume                     94.563
_database_code_amcsd             0015313
_exptl_crystal_density_diffrn    5.832
_cod_database_code               9013970
Refinement of the structure of MnSi by powder diffraction
Jorgensen, J. E.; Rasmussen, S. E.; Powder Diffraction 6 (1991) 194–195; doi:10.1017/S0885715600017504

data_9013971
_publ_section_title
;
 Refinement of the structure of MnSi by powder diffraction
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              194
_journal_page_last               195
_journal_paper_doi               10.1017/S0885715600017504
_journal_volume                  6
_journal_year                    1991
_chemical_formula_structural     MnSi
_chemical_formula_sum            'Mn Si'
_chemical_name_mineral           Brownleeite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.55613
_cell_length_b                   4.55613
_cell_length_c                   4.55613
_cell_formula_units_Z            4
_cell_volume                     94.578
_database_code_amcsd             0015314
_exptl_crystal_density_diffrn    5.831
_cod_database_code               9013971
Refinement of the structure of MnSi by powder diffraction
Jorgensen, J. E.; Rasmussen, S. E.; Powder Diffraction 6 (1991) 194–195; doi:10.1017/S0885715600017504

data_9013972
_publ_section_title
;
 Refinement of the structure of MnSi by powder diffraction
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              194
_journal_page_last               195
_journal_paper_doi               10.1017/S0885715600017504
_journal_volume                  6
_journal_year                    1991
_chemical_formula_structural     MnSi
_chemical_formula_sum            'Mn Si'
_chemical_name_mineral           Brownleeite
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.55643
_cell_length_b                   4.55643
_cell_length_c                   4.55643
_cell_formula_units_Z            4
_cell_volume                     94.596
_database_code_amcsd             0015315
_exptl_crystal_density_diffrn    5.830
_cod_database_code               9013972
Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure
Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C.; Powder Diffraction 11 (1996) 45–50; doi:10.1017/S0885715600008915

data_9013973
_publ_section_title
;
 Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from
 the Clear Creek claim, San Benito County, California:
 Description and crystal structure
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              45
_journal_page_last               50
_journal_paper_doi               10.1017/S0885715600008915
_journal_volume                  11
_journal_year                    1996
_chemical_compound_source
'Clear Creek claim, San Benito County, California'
_chemical_formula_structural     Hg7Cl2O3
_chemical_formula_sum            'Cl2 Hg7 O3'
_chemical_name_mineral           Hanawaltite
_space_group_IT_number           57
_symmetry_space_group_name_Hall  '-P 2a 2ab'
_symmetry_space_group_name_H-M   'P b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   11.777
_cell_length_b                   13.891
_cell_length_c                   6.460
_cell_formula_units_Z            4
_cell_volume                     1056.819
_database_code_amcsd             0015316
_exptl_crystal_density_diffrn    9.572
_cod_original_formula_sum        'Hg7 Cl2 O3'
_cod_database_code               9013973
The crystal of tobermorite 14 A (plombierite) a C­S­H phase
Bonaccorsi, E.; Merlino, S.; Journal of the American Ceramic Society 88 (2005) 505–512; doi:10.1111/j.1551-2916.2005.00116.x

data_9013974
_publ_section_title
;
 The crystal of tobermorite 14 A (plombierite) a C&#x00AD;S&#x00AD;H phase
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              505
_journal_page_last               512
_journal_paper_doi               10.1111/j.1551-2916.2005.00116.x
_journal_volume                  88
_journal_year                    2005
_chemical_compound_source        'Ballycraigy, Northern Ireland'
_chemical_formula_sum            'Ca2.5 H11 O12.5 Si3'
_chemical_name_mineral           Plombierite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'B -2b'
_symmetry_space_group_name_H-M   'B 1 1 b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                123.25
_cell_formula_units_Z            4
_cell_length_a                   6.735
_cell_length_b                   7.425
_cell_length_c                   27.987
_cell_volume                     1170.430
_database_code_amcsd             0014073
_exptl_crystal_density_diffrn    2.245
_cod_original_formula_sum        'Ca2.5 Si3 O12.5 H11'
_cod_database_code               9013974
Relationship between crystal structure and electrical properties of murdochite-type Ni6+2xMn1-xO8 Sample Number: x = 0.0
Taguchi, H.; Solid State Communications 108 (1998) 635–639; doi:10.1016/S0038-1098(98)00457-8

data_9013975
_publ_section_title
;
 Relationship between crystal structure and electrical properties
 of murdochite-type Ni6+2xMn1-xO8
 Sample Number: x = 0.0
;
_journal_name_full               'Solid State Communications'
_journal_page_first              635
_journal_page_last               639
_journal_paper_doi               10.1016/S0038-1098(98)00457-8
_journal_volume                  108
_journal_year                    1998
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Mn Ni6 O8'
_chemical_name_mineral           Bunsenite
_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                   8.3200
_cell_length_b                   8.3200
_cell_length_c                   8.3200
_cell_formula_units_Z            4
_cell_volume                     575.930
_database_code_amcsd             0015491
_exptl_crystal_density_diffrn    6.171
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_original_formula_sum        'Ni6 Mn O8'
_cod_database_code               9013975