LMucko/crystallography-open-database huggingface dataset:
The lattice expansion of iron Sample: at T = 1653 K
Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.; Proceedings of the Royal Society of London A 229 (1955) 459–467; doi:10.1098/rspa.1955.0102

data_9012713
_publ_section_title
;
 The lattice expansion of iron
 Sample: at T = 1653 K
;
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              459
_journal_page_last               467
_journal_paper_doi               10.1098/rspa.1955.0102
_journal_volume                  229
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_common            Iron
_chemical_name_mineral           Iron
_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                   3.679
_cell_length_b                   3.679
_cell_length_c                   3.679
_cell_formula_units_Z            4
_cell_volume                     49.795
_database_code_amcsd             0015359
_diffrn_ambient_temperature      1653
_exptl_crystal_density_diffrn    7.449
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012713
The lattice expansion of iron Sample: at T = 1661 K
Basinski, Z. S.; Hume-Rothery W; Sutton, A. L.; Proceedings of the Royal Society of London A 229 (1955) 459–467; doi:10.1098/rspa.1955.0102

data_9012714
_publ_section_title
;
 The lattice expansion of iron
 Sample: at T = 1661 K
;
_journal_name_full
'Proceedings of the Royal Society of London A'
_journal_page_first              459
_journal_page_last               467
_journal_paper_doi               10.1098/rspa.1955.0102
_journal_volume                  229
_journal_year                    1955
_chemical_compound_source        Synthetic
_chemical_formula_sum            Fe
_chemical_name_common            Iron
_chemical_name_mineral           Iron
_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                   3.679
_cell_length_b                   3.679
_cell_length_c                   3.679
_cell_formula_units_Z            4
_cell_volume                     49.795
_database_code_amcsd             0015360
_diffrn_ambient_temperature      1661
_exptl_crystal_density_diffrn    7.449
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012714
Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3
Bovio, B.; Locchi, S.; Journal of Crystallographic and Spectroscopic Research 12 (1982) 507–517; doi:10.1007/BF01160904

data_9012715
_publ_section_title
;
 Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3
;
_journal_name_full
'Journal of Crystallographic and Spectroscopic Research'
_journal_page_first              507
_journal_page_last               517
_journal_paper_doi               10.1007/BF01160904
_journal_volume                  12
_journal_year                    1982
_chemical_compound_source        'Kalabi, Jadotville, Katanga'
_chemical_formula_sum            'Cu2 H3 N O6'
_chemical_name_mineral           Garhardtite
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.087
_cell_length_b                   13.813
_cell_length_c                   5.597
_cell_formula_units_Z            4
_cell_volume                     470.594
_database_code_amcsd             0013022
_exptl_crystal_density_diffrn    3.389
_cod_original_formula_sum        'Cu2 O6 N H3'
_cod_database_code               9012715
The crystal structure of wagnerite
Coda, A.; Giuseppetti, G.; Tadini, C.; Carobbi, S. G.; Atti della Accademia Nazionale dei Lincei 43 (1967) 212–224; doi:

data_9012716
_publ_section_title
;
 The crystal structure of wagnerite
;
_journal_name_full               'Atti della Accademia Nazionale dei Lincei'
_journal_page_first              212
_journal_page_last               224
_journal_volume                  43
_journal_year                    1967
_chemical_compound_source        'Hollgraben near Werfen, Austria'
_chemical_formula_sum            'F Mg2 O4 P'
_chemical_name_mineral           Wagnerite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.30
_cell_angle_gamma                90
_cell_length_a                   9.644
_cell_length_b                   12.679
_cell_length_c                   11.957
_cell_formula_units_Z            16
_cell_volume                     1388.115
_database_code_amcsd             0012052
_exptl_crystal_density_diffrn    3.112
_cod_original_formula_sum        'Mg2 P O4 F'
_cod_database_code               9012716
Crystal structure of PdNiAs, ordered member of isomorphous series Pd2As-Ni2As
Evstigneeva, T.; Kabalov, Y.; Schneider, J.; Materials Science Forum 321 (2000) 700–705; doi:

data_9012717
_publ_section_title
;Crystal structure of PdNiAs, ordered member of isomorphous series Pd2As-Ni2As
;
_journal_name_full               'Materials Science Forum'
_journal_page_first              700
_journal_page_last               705
_journal_volume                  321
_journal_year                    2000
_chemical_compound_source        Synthetic
_chemical_formula_sum            'As Ni0.808 Pd1.192'
_chemical_name_mineral           Majakite
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   6.3165
_cell_length_b                   6.3165
_cell_length_c                   7.4278
_cell_formula_units_Z            6
_cell_volume                     256.652
_database_code_amcsd             0014389
_exptl_crystal_density_diffrn    9.674
_cod_original_formula_sum        'Pd1.192 Ni.808 As'
_cod_database_code               9012717
X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2
Tissot, R. G.; Rodriguez, M. A.; Sipola, D. L.; Voigt, J. A.; Powder Diffraction 16 (2001) 92–97; doi:10.1154/1.1370567

data_9012718
_publ_section_title
;
 X-ray powder diffraction study of synthetic palmierite, K2Pb(SO4)2
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              92
_journal_page_last               97
_journal_paper_doi               10.1154/1.1370567
_journal_volume                  16
_journal_year                    2001
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K2 O8 Pb S2'
_chemical_name_mineral           Palmierite
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.497
_cell_length_b                   5.497
_cell_length_c                   20.864
_cell_formula_units_Z            3
_cell_volume                     545.984
_database_code_amcsd             0015320
_exptl_crystal_density_diffrn    4.357
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_original_formula_sum        'K2 Pb S2 O8'
_cod_database_code               9012718
Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite Locality: synthetic
Pajares, I.; De la Torre, A. G.; Martinez-Ramirez S; Puertas, F.; Blanco-Varela M T; Aranda, M. A. G.; Powder Diffraction 17 (2002) 281–286; doi:10.1154/1.1505045

data_9012719
_publ_section_title
;Quantitative analysis of mineralized white Portland clinkers: The structure
 of fluorellestadite Locality: synthetic
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              281
_journal_page_last               286
_journal_paper_doi               10.1154/1.1505045
_journal_volume                  17
_journal_year                    2002
_chemical_formula_sum            'Ca5 F O12 S1.5 Si1.5'
_chemical_name_mineral           Fluorellestadite
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.44174
_cell_length_b                   9.44174
_cell_length_c                   6.93964
_cell_formula_units_Z            2
_cell_volume                     535.762
_exptl_crystal_density_diffrn    3.109
_cod_original_formula_sum        'Ca5 (Si1.5 S1.5) O12 F'
_cod_database_code               9012719
_database_code_amcsd 0015322
Quantitative analysis of mineralized white Portland clinkers: The structure of fluorellestadite Locality: synthetic
Pajares, I.; De la Torre, A. G.; Martinez-Ramirez S; Puertas, F.; Blanco-Varela M T; Aranda, M. A. G.; Powder Diffraction 17 (2002) 281–286; doi:10.1154/1.1505045

data_9012720
_publ_section_title
;Quantitative analysis of mineralized white Portland clinkers: The structure
 of fluorellestadite Locality: synthetic
;
_journal_name_full               'Powder Diffraction'
_journal_page_first              281
_journal_page_last               286
_journal_paper_doi               10.1154/1.1505045
_journal_volume                  17
_journal_year                    2002
_chemical_formula_sum            'Ca5 F O12 S1.5 Si1.5'
_chemical_name_mineral           Ellestadite-(F)
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   9.44174
_cell_length_b                   9.44174
_cell_length_c                   6.93964
_cell_formula_units_Z            2
_cell_volume                     535.762
_exptl_crystal_density_diffrn    3.109
_cod_original_formula_sum        'Ca5 (Si1.5 S1.5) O12 F'
_cod_database_code               9012720
_cod_duplicate_entry 9012719
Crystal structure of a new phosphatic mineral-qingheiite Locality: Northwestern Qinghe County, Altay Prefecture, Uygur Autonomous Region, Xinjiang Note: changed P3(z) to match reported bond distances
Zhesheng, M.; Nicheng, S.; Zhizhong, P.; Scientia Sinica, Series B 26 (1983) 876–884; doi:

data_9012721
_publ_section_title
;Crystal structure of a new phosphatic mineral-qingheiite Locality:
 Northwestern Qinghe County, Altay Prefecture, Uygur Autonomous Region,
 Xinjiang Note: changed P3(z) to match reported bond distances
;
_journal_name_full               'Scientia Sinica, Series B'
_journal_page_first              876
_journal_page_last               884
_journal_volume                  26
_journal_year                    1983
_chemical_compound_source
'Northwestern Qinghe County, Altay Prefecture, Uygur Autonomous Region, Xinjiang'
_chemical_formula_sum
'Al0.828 Ca0.156 Fe0.772 Mg2.254 Mn3.1 Na2.624 O24 P6'
_chemical_name_mineral           Qingheiite
_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                 114.45
_cell_angle_gamma                90
_cell_length_a                   11.856
_cell_length_b                   12.411
_cell_length_c                   6.421
_cell_formula_units_Z            2
_cell_volume                     860.088
_database_code_amcsd             0015444
_exptl_crystal_density_diffrn    3.579
_cod_original_formula_sum
'Na2.624 Mn3.1 Ca.156 Mg2.254 Al.828 Fe.772 P6 O24'
_cod_database_code               9012721
On the crystal structures of Cs II and Ga II Sample: at room T Note: known as cesium-II
Weir, C. E.; Piermarini, G. J.; Block, S.; Journal of Physical Chemistry 54 (1971) 2768–2770; doi:10.1063/1.1675251

data_9012722
_publ_section_title
;
 On the crystal structures of Cs II and Ga II
 Sample: at room T
 Note: known as cesium-II
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2768
_journal_page_last               2770
_journal_paper_doi               10.1063/1.1675251
_journal_volume                  54
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_chemical_name_mineral           Cesium
_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                   6.465
_cell_length_b                   6.465
_cell_length_c                   6.465
_cell_formula_units_Z            4
_cell_volume                     270.213
_database_code_amcsd             0013140
_exptl_crystal_density_diffrn    3.267
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012722
On the crystal structures of Cs II and Ga II Sample: at P > .002 GPa & room T Note: known as gallium-II
Weir, C. E.; Piermarini, G. J.; Block, S.; Journal of Physical Chemistry 54 (1971) 2768–2770; doi:10.1063/1.1675251

data_9012723
_publ_section_title
;
 On the crystal structures of Cs II and Ga II
 Sample: at P > .002 GPa & room T
 Note: known as gallium-II
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2768
_journal_page_last               2770
_journal_paper_doi               10.1063/1.1675251
_journal_volume                  54
_journal_year                    1971
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ga
_chemical_name_common            Gallium
_chemical_name_mineral           Gallium
_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                   2.808
_cell_length_b                   2.808
_cell_length_c                   4.458
_cell_formula_units_Z            2
_cell_volume                     35.151
_database_code_amcsd             0013141
_exptl_crystal_density_diffrn    6.588
_cod_database_code               9012723
hcp-to-fcc transition in silicon at 78 GPa and studies to 100 GPa Sample: at P = 87 GPa Note: fcc structure stable above 78 GPa
Duclos, S. J.; Vohra, Y. K.; Ruoff, A. L.; Physical Review Letters 58 (1987) 775–777; doi:10.1103/PhysRevLett.58.775

data_9012724
_publ_section_title
;
 hcp-to-fcc transition in silicon at 78 GPa and studies to 100 GPa
 Sample: at P = 87 GPa
 Note: fcc structure stable above 78 GPa
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              775
_journal_page_last               777
_journal_paper_doi               10.1103/PhysRevLett.58.775
_journal_volume                  58
_journal_year                    1987
_chemical_compound_source        Synthetic
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_chemical_name_mineral           Silicon
_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                   3.34
_cell_length_b                   3.34
_cell_length_c                   3.34
_cell_formula_units_Z            4
_cell_volume                     37.260
_database_code_amcsd             0015275
_diffrn_ambient_pressure         8.7e+07
_exptl_crystal_density_diffrn    5.007
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012724
Cs(VI): a new high-pressure polymorph of cesium above 72 GPa Sample: at P = 92 GPa Note: stable above P = 72 GPa Note: known as cesium-VI
Takemura, K.; Shimomura, O.; Fujihisa, H.; Physical Review Letters 66 (1991) 2014–2017; doi:10.1103/PhysRevLett.66.2014

data_9012725
_publ_section_title
;
 Cs(VI): a new high-pressure polymorph of cesium above 72 GPa
 Sample: at P = 92 GPa
 Note: stable above P = 72 GPa
 Note: known as cesium-VI
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              2014
_journal_page_last               2017
_journal_paper_doi               10.1103/PhysRevLett.66.2014
_journal_volume                  66
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_chemical_name_mineral           Cesium
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.011
_cell_length_b                   3.011
_cell_length_c                   4.855
_cell_formula_units_Z            2
_cell_volume                     44.016
_database_code_amcsd             0015276
_diffrn_ambient_pressure         9.2e+07
_exptl_crystal_density_diffrn    10.028
_cod_database_code               9012725
The barium-strontium equilibrium system Sample: at T = 25 C note: known as alpha-strontium
Hirst, R. G.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 60 (1956) 302–304; doi:10.1021/j150537a011

data_9012726
_publ_section_title
;
 The barium-strontium equilibrium system
 Sample: at T = 25 C
 note: known as alpha-strontium
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              302
_journal_page_last               304
_journal_paper_doi               10.1021/j150537a011
_journal_volume                  60
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            Sr
_chemical_name_common            Strontium
_chemical_name_mineral           Strontium
_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                   6.076
_cell_length_b                   6.076
_cell_length_c                   6.076
_cell_formula_units_Z            4
_cell_volume                     224.312
_database_code_amcsd             0013142
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.595
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012726
The barium-strontium equilibrium system Sample: at T = 628 C note: known as beta-strontium
Hirst, R. G.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 60 (1956) 302–304; doi:10.1021/j150537a011

data_9012727
_publ_section_title
;
 The barium-strontium equilibrium system
 Sample: at T = 628 C
 note: known as beta-strontium
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              302
_journal_page_last               304
_journal_paper_doi               10.1021/j150537a011
_journal_volume                  60
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            Sr
_chemical_name_common            Strontium
_chemical_name_mineral           Strontium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.87
_cell_length_b                   4.87
_cell_length_c                   4.87
_cell_formula_units_Z            2
_cell_volume                     115.501
_database_code_amcsd             0013143
_diffrn_ambient_temperature      901.15
_exptl_crystal_density_diffrn    2.519
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012727
The barium-strontium equilibrium system Sample: at T = 225 C note: known as gamma-strontium
Hirst, R. G.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 60 (1956) 302–304; doi:10.1021/j150537a011

data_9012728
_publ_section_title
;
 The barium-strontium equilibrium system
 Sample: at T = 225 C
 note: known as gamma-strontium
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              302
_journal_page_last               304
_journal_paper_doi               10.1021/j150537a011
_journal_volume                  60
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            Sr
_chemical_name_common            Strontium
_chemical_name_mineral           Strontium
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.28
_cell_length_b                   4.28
_cell_length_c                   7.05
_cell_formula_units_Z            2
_cell_volume                     111.843
_database_code_amcsd             0013144
_diffrn_ambient_temperature      498.15
_exptl_crystal_density_diffrn    2.602
_cod_database_code               9012728
The barium-strontium equilibrium system Sample: at T = 25 C
Hirst, R. G.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 60 (1956) 302–304; doi:10.1021/j150537a011

data_9012729
_publ_section_title
;
 The barium-strontium equilibrium system
 Sample: at T = 25 C
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              302
_journal_page_last               304
_journal_paper_doi               10.1021/j150537a011
_journal_volume                  60
_journal_year                    1956
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ba
_chemical_name_common            Barium
_chemical_name_mineral           Barium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.013
_cell_length_b                   5.013
_cell_length_c                   5.013
_cell_formula_units_Z            2
_cell_volume                     125.978
_database_code_amcsd             0013145
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    3.620
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012729