LMucko/crystallography-open-database huggingface dataset:
Lithium, compression and high-pressure structure Sample: at P = 9.6 GPa, T = 296 K Note: film # 2-8
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011562
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 9.6 GPa, T = 296 K
 Note: film # 2-8
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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                   3.855
_cell_length_b                   3.855
_cell_length_c                   3.855
_cell_formula_units_Z            4
_cell_volume                     57.289
_database_code_amcsd             0015428
_diffrn_ambient_pressure         9.6e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.805
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011562
Lithium, compression and high-pressure structure Sample: at P = 9.8 GPa, T = 296 K Note: film # 4-9
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011563
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 9.8 GPa, T = 296 K
 Note: film # 4-9
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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                   3.843
_cell_length_b                   3.843
_cell_length_c                   3.843
_cell_formula_units_Z            4
_cell_volume                     56.756
_database_code_amcsd             0015429
_diffrn_ambient_pressure         9.8e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.812
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011563
Lithium, compression and high-pressure structure Sample: at P = 9.9 GPa, T = 296 K Note: film # 4-10
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011564
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 9.9 GPa, T = 296 K
 Note: film # 4-10
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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                   3.832
_cell_length_b                   3.832
_cell_length_c                   3.832
_cell_formula_units_Z            4
_cell_volume                     56.270
_database_code_amcsd             0015430
_diffrn_ambient_pressure         9.9e+06
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.819
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011564
Lithium, compression and high-pressure structure Sample: at P = 10.1 GPa, T = 296 K Note: film # 4-11
Olinger, B.; Shaner, J. W.; Science 219 (1983) 1071–1072; doi:10.1126/science.219.4588.1071

data_9011565
_publ_section_title
;
 Lithium, compression and high-pressure structure
 Sample: at P = 10.1 GPa, T = 296 K
 Note: film # 4-11
;
_journal_name_full               Science
_journal_page_first              1071
_journal_page_last               1072
_journal_paper_doi               10.1126/science.219.4588.1071
_journal_volume                  219
_journal_year                    1983
_chemical_compound_source        Synthetic
_chemical_formula_sum            Li
_chemical_name_mineral           Lithium
_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                   3.828
_cell_length_b                   3.828
_cell_length_c                   3.828
_cell_formula_units_Z            4
_cell_volume                     56.094
_database_code_amcsd             0015431
_diffrn_ambient_pressure         1.01e+07
_diffrn_ambient_temperature      296
_exptl_crystal_density_diffrn    0.822
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011565
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 5.40 GPa, T = 300 K
Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.; Science 239 (1988) 1131–1133; doi:10.1126/science.239.4844.1131

data_9011566
_publ_section_title
;
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 5.40 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1126/science.239.4844.1131
_journal_volume                  239
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_mineral           Hydrogen
_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_formula_units_Z            2
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.659
_cell_length_b                   2.659
_cell_length_c                   4.334
_cell_volume                     26.537
_database_code_amcsd             0015432
_diffrn_ambient_pressure         5.4e+06
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    0.126
_cod_database_code               9011566
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 10.1 GPa, T = 300 K
Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.; Science 239 (1988) 1131–1133; doi:10.1126/science.239.4844.1131

data_9011567
_publ_section_title
;
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 10.1 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1126/science.239.4844.1131
_journal_volume                  239
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_mineral           Hydrogen
_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_formula_units_Z            2
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.5058
_cell_length_b                   2.5058
_cell_length_c                   4.074
_cell_volume                     22.154
_database_code_amcsd             0015433
_diffrn_ambient_pressure         1.01e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    0.151
_cod_database_code               9011567
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 15.0 GPa, T = 300 K
Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.; Science 239 (1988) 1131–1133; doi:10.1126/science.239.4844.1131

data_9011568
_publ_section_title
;
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 15.0 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1126/science.239.4844.1131
_journal_volume                  239
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_mineral           Hydrogen
_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_formula_units_Z            2
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.393
_cell_length_b                   2.393
_cell_length_c                   3.885
_cell_volume                     19.267
_database_code_amcsd             0015434
_diffrn_ambient_pressure         1.5e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    0.174
_cod_database_code               9011568
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 21.4 GPa, T = 300 K
Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.; Science 239 (1988) 1131–1133; doi:10.1126/science.239.4844.1131

data_9011569
_publ_section_title
;
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 21.4 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1126/science.239.4844.1131
_journal_volume                  239
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_mineral           Hydrogen
_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_formula_units_Z            2
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.308
_cell_length_b                   2.308
_cell_length_c                   3.703
_cell_volume                     17.083
_database_code_amcsd             0015435
_diffrn_ambient_pressure         2.14e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    0.196
_cod_database_code               9011569
Synchrotron X-ray diffraction measurements of single-crystal hydrogen to 26.5 Gigapascals Sample: at P = 26.5 GPa, T = 300 K
Mao, H. K.; Jephcoat, A. P.; Hemley, R. J.; Finger, L. W.; Zha, C. S.; Hazen, R. M.; Cox, D. E.; Science 239 (1988) 1131–1133; doi:10.1126/science.239.4844.1131

data_9011570
_publ_section_title
;
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 26.5 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1126/science.239.4844.1131
_journal_volume                  239
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_mineral           Hydrogen
_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_formula_units_Z            2
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.259
_cell_length_b                   2.259
_cell_length_c                   3.609
_cell_volume                     15.950
_database_code_amcsd             0015436
_diffrn_ambient_pressure         2.65e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    0.210
_cod_database_code               9011570
The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd6
Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B.; Science 316 (2007) 1726–1729; doi:10.1126/science.1142525

data_9011571
_publ_section_title
;
 The structure of ferrihydrite, a nanocrystalline material
 Sample: Fhyd6
;
_journal_name_full               Science
_journal_page_first              1726
_journal_page_last               1729
_journal_paper_doi               10.1126/science.1142525
_journal_volume                  316
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.93 H O8'
_chemical_name_mineral           Ferrihydrite
_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                   5.928
_cell_length_b                   5.928
_cell_length_c                   9.126
_cell_volume                     277.733
_database_code_amcsd             0015439
_exptl_crystal_density_diffrn    4.835
_cod_original_formula_sum        'Fe4.93 (O8 H)'
_cod_database_code               9011571
The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd3
Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B.; Science 316 (2007) 1726–1729; doi:10.1126/science.1142525

data_9011572
_publ_section_title
;
 The structure of ferrihydrite, a nanocrystalline material
 Sample: Fhyd3
;
_journal_name_full               Science
_journal_page_first              1726
_journal_page_last               1729
_journal_paper_doi               10.1126/science.1142525
_journal_volume                  316
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.87 H O8'
_chemical_name_mineral           Ferrihydrite
_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                   5.953
_cell_length_b                   5.953
_cell_length_c                   9.096
_cell_volume                     279.160
_database_code_amcsd             0015440
_exptl_crystal_density_diffrn    4.770
_cod_original_formula_sum        'Fe4.87 (O8 H)'
_cod_database_code               9011572
The structure of ferrihydrite, a nanocrystalline material Sample: Fhyd2
Michel, F. M.; Ehm, L.; Antao, S. M.; Lee, P. L.; Chupas, P. J.; Liu, G.; Strongin, D. R.; Schoonen, M. A. A.; Phillips, B. L.; Parise, J. B.; Science 316 (2007) 1726–1729; doi:10.1126/science.1142525

data_9011573
_publ_section_title
;
 The structure of ferrihydrite, a nanocrystalline material
 Sample: Fhyd2
;
_journal_name_full               Science
_journal_page_first              1726
_journal_page_last               1729
_journal_paper_doi               10.1126/science.1142525
_journal_volume                  316
_journal_year                    2007
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe4.75 H O8'
_chemical_name_mineral           Ferrihydrite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.958
_cell_length_b                   5.958
_cell_length_c                   8.965
_cell_formula_units_Z            2
_cell_volume                     275.602
_database_code_amcsd             0015441
_exptl_crystal_density_diffrn    4.751
_cod_original_formula_sum        'Fe4.75 (O8 H)'
_cod_database_code               9011573
Allotropy of chromium
Bradley, A. J.; Ollard, E. F.; Nature 117 (1926) 122–122; doi:

data_9011574
_publ_section_title
;
 Allotropy of chromium
;
_journal_name_full               Nature
_journal_page_first              122
_journal_page_last               122
_journal_volume                  117
_journal_year                    1926
_chemical_compound_source        Synthetic
_chemical_formula_sum            Cr
_chemical_name_mineral           Chromium
_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                   2.714
_cell_length_b                   2.714
_cell_length_c                   4.410
_cell_formula_units_Z            2
_cell_volume                     28.131
_database_code_amcsd             0014671
_exptl_crystal_density_diffrn    6.138
_cod_database_code               9011574
Lattice constant of diamond and the C-C single bond Sample: at T = 18 C
Riley, D. P.; Nature 153 (1944) 587–588; doi:

data_9011575
_publ_section_title
;
 Lattice constant of diamond and the C-C single bond
 Sample: at T = 18 C
;
_journal_name_full               Nature
_journal_page_first              587
_journal_page_last               588
_journal_volume                  153
_journal_year                    1944
_chemical_compound_source
'commercial diamond dust sieved to obtain small crystals'
_chemical_formula_sum            C
_chemical_name_mineral           Diamond
_space_group_IT_number           227
_symmetry_space_group_name_Hall  'F 4d 2 3 -1d'
_symmetry_space_group_name_H-M   'F d -3 m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.56679
_cell_length_b                   3.56679
_cell_length_c                   3.56679
_cell_formula_units_Z            8
_cell_volume                     45.377
_database_code_amcsd             0014673
_diffrn_ambient_temperature      291.15
_exptl_crystal_density_diffrn    3.516
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_database_code               9011575
Crystal structure of ettringite
Moore, A.; Taylor, H. F. W.; Nature 218 (1968) 1048–1049; doi:10.1038/2181048a0

data_9011576
_publ_section_title
;
 Crystal structure of ettringite
;
_journal_name_full               Nature
_journal_page_first              1048
_journal_page_last               1049
_journal_paper_doi               10.1038/2181048a0
_journal_volume                  218
_journal_year                    1968
_chemical_compound_source        'Scawt Hill, Northern Ireland'
_chemical_formula_sum            'Al Ca3 H34 O24.5 S1.5'
_chemical_name_mineral           Ettringite
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   11.23
_cell_length_b                   11.23
_cell_length_c                   10.72
_cell_volume                     1170.806
_database_code_amcsd             0014674
_exptl_crystal_density_diffrn    1.763
_cod_original_formula_sum        'Ca3 Al S1.5 O24.5 H34'
_cod_database_code               9011576
Structure of graphite by neutron diffraction Note: natural crystals
Trucano, P.; Chen, R.; Nature 258 (1975) 136–137; doi:10.1038/258136a0

data_9011577
_publ_section_title
;
 Structure of graphite by neutron diffraction
 Note: natural crystals
;
_journal_name_full               Nature
_journal_page_first              136
_journal_page_last               137
_journal_paper_doi               10.1038/258136a0
_journal_volume                  258
_journal_year                    1975
_chemical_compound_source        undefined
_chemical_formula_sum            C
_chemical_name_mineral           Graphite
_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                   2.464
_cell_length_b                   2.464
_cell_length_c                   6.711
_cell_formula_units_Z            4
_cell_volume                     35.286
_database_code_amcsd             0014675
_exptl_crystal_density_diffrn    2.261
_cod_database_code               9011577
An X-ray structural study of cacoxenite, a mineral phosphate Locality: Avant's Claim, near Shady, Polk County, Arkansas, USA
Moore, P. B.; Shen, J.; Nature 306 (1983) 356–358; doi:10.1038/306356a0

data_9011578
_publ_section_title
;
 An X-ray structural study of cacoxenite, a mineral phosphate
 Locality: Avant's Claim, near Shady, Polk County, Arkansas, USA
;
_journal_name_full               Nature
_journal_page_first              356
_journal_page_last               358
_journal_paper_doi               10.1038/306356a0
_journal_volume                  306
_journal_year                    1983
_chemical_formula_sum            'Al4 Fe21 H43.92 O110 P17'
_chemical_name_mineral           Cacoxenite
_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_formula_units_Z            2
_cell_length_a                   27.559
_cell_length_b                   27.559
_cell_length_c                   10.550
_cell_volume                     6939.209
_cod_data_source_file            10893.cif
_cod_data_source_block           global
_cod_original_formula_sum        'Al4 Fe21 P17 O110 H43.92'
_cod_database_code               9011578
_cod_duplicate_entry 9009221
A silica-rich sodium pyroxene phase with six-coordinated silicon
Angel, R. J.; Gasparik, T.; Ross, N. L.; Finger, L. W.; Prewitt, C. T.; Hazen, R. M.; Nature 335 (1988) 156–158; doi:10.1038/335156a0

data_9011579
_publ_section_title
;
 A silica-rich sodium pyroxene phase with six-coordinated silicon
;
_journal_name_full               Nature
_journal_page_first              156
_journal_page_last               158
_journal_paper_doi               10.1038/335156a0
_journal_volume                  335
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_structural     Na(Mg0.5Si0.5)Si2O6
_chemical_formula_sum            'Mg Na2 O12 Si5'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.13
_cell_angle_gamma                90
_cell_length_a                   9.418
_cell_length_b                   8.647
_cell_length_c                   5.274
_cell_formula_units_Z            2
_cell_volume                     408.178
_database_code_amcsd             0014678
_exptl_crystal_density_diffrn    3.277
_cod_original_formula_sum        'Mg Si5 Na2 O12'
_cod_database_code               9011579
_amcsd_formula_title             Na(Mg0.5Si0.5)Si2O6