LMucko/crystallography-open-database huggingface dataset:
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .0079 GPa, T = 15.6 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012908
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .0079 GPa, T = 15.6 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.745
_cell_length_b                   3.745
_cell_length_c                   6.101
_cell_formula_units_Z            2
_cell_volume                     74.103
_database_code_amcsd             0015293
_diffrn_ambient_pressure         7900
_diffrn_ambient_temperature      15.6
_exptl_crystal_density_diffrn    0.045
_cod_database_code               9012908
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .028 GPa, T = 14.9 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012909
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .028 GPa, T = 14.9 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.670
_cell_length_b                   3.670
_cell_length_c                   5.971
_cell_formula_units_Z            2
_cell_volume                     69.648
_database_code_amcsd             0015294
_diffrn_ambient_pressure         28000
_diffrn_ambient_temperature      14.9
_exptl_crystal_density_diffrn    0.048
_cod_database_code               9012909
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .056 GPa, T = 15.3 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012910
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .056 GPa, T = 15.3 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.582
_cell_length_b                   3.582
_cell_length_c                   5.826
_cell_formula_units_Z            2
_cell_volume                     64.737
_database_code_amcsd             0015295
_diffrn_ambient_pressure         56000
_diffrn_ambient_temperature      15.3
_exptl_crystal_density_diffrn    0.052
_cod_database_code               9012910
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .14 GPa, T = 17.3 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012911
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .14 GPa, T = 17.3 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.444
_cell_length_b                   3.444
_cell_length_c                   5.603
_cell_formula_units_Z            2
_cell_volume                     57.554
_database_code_amcsd             0015296
_diffrn_ambient_pressure         1.4e+05
_diffrn_ambient_temperature      17.3
_exptl_crystal_density_diffrn    0.058
_cod_database_code               9012911
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .28 GPa, T = 30 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012912
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .28 GPa, T = 30 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.313
_cell_length_b                   3.313
_cell_length_c                   5.383
_cell_formula_units_Z            2
_cell_volume                     51.168
_database_code_amcsd             0015297
_diffrn_ambient_pressure         2.8e+05
_diffrn_ambient_temperature      30
_exptl_crystal_density_diffrn    0.065
_cod_database_code               9012912
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .3 GPa, T = 16.6 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012913
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .3 GPa, T = 16.6 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.308
_cell_length_b                   3.308
_cell_length_c                   5.377
_cell_formula_units_Z            2
_cell_volume                     50.957
_database_code_amcsd             0015298
_diffrn_ambient_pressure         3e+05
_diffrn_ambient_temperature      16.6
_exptl_crystal_density_diffrn    0.066
_cod_database_code               9012913
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .48 GPa, T = 16.6 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012914
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .48 GPa, T = 16.6 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.216
_cell_length_b                   3.216
_cell_length_c                   5.219
_cell_formula_units_Z            2
_cell_volume                     46.747
_database_code_amcsd             0015299
_diffrn_ambient_pressure         4.8e+05
_diffrn_ambient_temperature      16.6
_exptl_crystal_density_diffrn    0.072
_cod_database_code               9012914
Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar Sample: P = .5 GPa, T = 57.4 K
Vindryevsky, B. A.; Ishmaev, S. N.; Sadikov, I. P.; Chernyshev, A. A.; Physics Letters  (1980) 355–358; doi:10.1016/0375-9601(80)90518-6

data_9012915
_publ_section_title
;
 Neutron diffraction studies of solid parahydrogen at pressures up to 5 kbar
 Sample: P = .5 GPa, T = 57.4 K
;
_journal_name_full               'Physics Letters'
_journal_page_first              355
_journal_page_last               358
_journal_paper_doi               10.1016/0375-9601(80)90518-6
_journal_volume                  76A
_journal_year                    1980
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_common            Hydrogen
_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_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.223
_cell_length_b                   3.223
_cell_length_c                   5.234
_cell_formula_units_Z            2
_cell_volume                     47.085
_database_code_amcsd             0015300
_diffrn_ambient_pressure         5e+05
_diffrn_ambient_temperature      57.4
_exptl_crystal_density_diffrn    0.071
_cod_database_code               9012915
Phase transitions in alkaline earth metals under pressure Sample: P = 26.5 GPa
Olijnyk, H.; Holzapfel, W. B.; Physics Letters  (1984) 191–194; doi:

data_9012916
_publ_section_title
;
 Phase transitions in alkaline earth metals under pressure
 Sample: P = 26.5 GPa
;
_journal_name_full               'Physics Letters'
_journal_page_first              191
_journal_page_last               194
_journal_volume                  100A
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_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                   3.559
_cell_length_b                   3.559
_cell_length_c                   3.559
_cell_volume                     45.080
_database_code_amcsd             0015301
_diffrn_ambient_pressure         2.65e+07
_cell_formula_units_Z            2
_exptl_crystal_density_diffrn    2.953
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012916
Phase transitions in alkaline earth metals under pressure Sample: P = 39 GPa
Olijnyk, H.; Holzapfel, W. B.; Physics Letters  (1984) 191–194; doi:

data_9012917
_publ_section_title
;
 Phase transitions in alkaline earth metals under pressure
 Sample: P = 39 GPa
;
_journal_name_full               'Physics Letters'
_journal_page_first              191
_journal_page_last               194
_journal_volume                  100A
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   2.615
_cell_length_b                   2.615
_cell_length_c                   2.615
_cell_volume                     17.882
_database_code_amcsd             0015302
_diffrn_ambient_pressure         3.9e+07
_exptl_crystal_density_diffrn    3.722
_cod_original_sg_symbol_H-M      'P m 3 m'
_cod_database_code               9012917
Structural phase transitions in Si and Ge under pressures up to 50 GPa Sample: at P = 19.5 GPa Note: phase V, structure stable between 16 GPa & 34 GPa
Olijnyk, H.; Sikka, S. K.; Holzapfel, W. B.; Physics Letters  (1984) 137–140; doi:10.1016/0375-9601(84)90219-6

data_9012918
_publ_section_title
;
 Structural phase transitions in Si and Ge under pressures up to 50 GPa
 Sample: at P = 19.5 GPa
 Note: phase V, structure stable between 16 GPa & 34 GPa
;
_journal_name_full               'Physics Letters'
_journal_page_first              137
_journal_page_last               140
_journal_paper_doi               10.1016/0375-9601(84)90219-6
_journal_volume                  103A
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_chemical_name_mineral           Silicon
_space_group_IT_number           191
_symmetry_space_group_name_Hall  '-P 6 2'
_symmetry_space_group_name_H-M   'P 6/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.527
_cell_length_b                   2.527
_cell_length_c                   2.373
_cell_formula_units_Z            1
_cell_volume                     13.123
_database_code_amcsd             0015303
_diffrn_ambient_pressure         1.95e+07
_exptl_crystal_density_diffrn    3.554
_cod_database_code               9012918
Structural phase transitions in Si and Ge under pressures up to 50 GPa Sample: at P = 43 GPa Note: phase VII, structure stable above 43 GPa
Olijnyk, H.; Sikka, S. K.; Holzapfel, W. B.; Physics Letters  (1984) 137–140; doi:10.1016/0375-9601(84)90219-6

data_9012919
_publ_section_title
;
 Structural phase transitions in Si and Ge under pressures up to 50 GPa
 Sample: at P = 43 GPa
 Note: phase VII, structure stable above 43 GPa
;
_journal_name_full               'Physics Letters'
_journal_page_first              137
_journal_page_last               140
_journal_paper_doi               10.1016/0375-9601(84)90219-6
_journal_volume                  103A
_journal_year                    1984
_chemical_compound_source        Synthetic
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_chemical_name_mineral           Silicon
_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                   2.444
_cell_length_b                   2.444
_cell_length_c                   4.152
_cell_formula_units_Z            2
_cell_volume                     21.478
_database_code_amcsd             0015304
_diffrn_ambient_pressure         4.3e+07
_exptl_crystal_density_diffrn    4.343
_cod_database_code               9012919
Uber die struktur des pharmakosiderits Note: the K atom could not be located
Zemann, J.; Experientia 3 (1947) 452–452; doi:

data_9012920
_publ_section_title
;
 Uber die struktur des pharmakosiderits
 Note: the K atom could not be located
;
_journal_name_full               Experientia
_journal_page_first              452
_journal_page_last               452
_journal_volume                  3
_journal_year                    1947
_chemical_formula_sum            'As3 Fe4 H18 O23'
_chemical_name_mineral           Pharmacosiderite
_space_group_IT_number           215
_symmetry_space_group_name_Hall  'P -4 2 3'
_symmetry_space_group_name_H-M   'P -4 3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   7.94
_cell_length_b                   7.94
_cell_length_c                   7.94
_cell_volume                     500.566
_database_code_amcsd             0012642
_exptl_crystal_density_diffrn    2.768
_cod_original_formula_sum        'As3 Fe4 O23 H18'
_cod_database_code               9012920
The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O
Bonaccorsi, E.; Merlino, S.; Taylor, H. F. W.; Cement and Concrete Research 34 (2004) 1481–1488; doi:10.1016/j.cemconres.2003.12.033

data_9012921
_publ_section_title
;
 The crystal structure of jennite, Ca9Si6O18(OH)6*8H2O
;
_journal_name_full               'Cement and Concrete Research'
_journal_page_first              1481
_journal_page_last               1488
_journal_paper_doi               10.1016/j.cemconres.2003.12.033
_journal_volume                  34
_journal_year                    2004
_chemical_compound_source        'Fuka, Japan'
_chemical_formula_sum            'Ca9 H22 O32 Si6'
_chemical_name_mineral           Jennite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.30
_cell_angle_beta                 96.98
_cell_angle_gamma                109.65
_cell_formula_units_Z            1
_cell_length_a                   10.576
_cell_length_b                   7.265
_cell_length_c                   10.931
_cell_volume                     759.496
_database_code_amcsd             0012177
_exptl_crystal_density_diffrn    2.325
_cod_original_formula_sum        'Ca9 Si6 O32 H22'
_cod_database_code               9012921
Investigation of the structure of ettringite by time-of-flight neutron powder diffraction techniques Locality: synthetic
Hartman, M. R.; Berliner, R.; Cement and Concrete Research 36 (2006) 364–370; doi:10.1016/j.cemconres.2005.08.004

data_9012922
_publ_section_title
;Investigation of the structure of ettringite by time-of-flight neutron powder
 diffraction techniques Locality: synthetic
;
_journal_name_full               'Cement and Concrete Research'
_journal_page_first              364
_journal_page_last               370
_journal_paper_doi               10.1016/j.cemconres.2005.08.004
_journal_volume                  36
_journal_year                    2006
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 Ca6 H60.602 O49.496 S3'
_chemical_name_mineral           Ettringite
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   11.166881
_cell_length_b                   11.166881
_cell_length_c                   21.35366
_cell_formula_units_Z            2
_cell_volume                     2306.039
_database_code_amcsd             0012178
_exptl_crystal_density_diffrn    1.791
_cod_original_formula_sum        'Ca6 Al2 S3 O49.496 H60.602'
_cod_database_code               9012922
Hydrothermal synthesis and structural characterization of four scandium phosphate frameworks
Bull, I.; Young, V.; Teat, S. J.; Peng, L.; Grey, C. P.; Parise, J. B.; Chemistry of Materials 15 (2003) 3818–3825; doi:10.1021/cm030306f

data_9012923
_publ_section_title
;
 Hydrothermal synthesis and structural characterization of four scandium
 phosphate frameworks
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3818
_journal_page_last               3825
_journal_paper_doi               10.1021/cm030306f
_journal_volume                  15
_journal_year                    2003
_chemical_formula_structural     (C2N2H10)8Sc8(ScO2)4(PO4)4(HPO4)12*12H2O
_chemical_formula_sum            'C5 H18 N4 O21 P4 Sc3'
_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                 96.877
_cell_angle_gamma                90
_cell_length_a                   8.603
_cell_length_b                   15.476
_cell_length_c                   16.504
_cell_formula_units_Z            4
_cell_volume                     2181.534
_database_code_amcsd             0012217
_exptl_crystal_density_diffrn    2.220
_cod_original_formula_sum        'Sc3 P4 O21 N4 C5 H18'
_cod_database_code               9012923
_amcsd_formula_title             (C2N2H10)8Sc8(ScO2)4(PO4)4(HPO4)12*12H2O
Lattice parameters of beta titanium at room temperature Sample: at T = 298 K, known as the beta phase
Levinger, B. W.; Journal of Metals 5 (1953) 195–195; doi:

data_9012924
_publ_section_title
;
 Lattice parameters of beta titanium at room temperature
 Sample: at T = 298 K, known as the beta phase
;
_journal_name_full               'Journal of Metals'
_journal_page_first              195
_journal_page_last               195
_journal_volume                  5
_journal_year                    1953
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ti
_chemical_name_common            Titanium
_chemical_name_mineral           Titanium
_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                   3.282
_cell_length_b                   3.282
_cell_length_c                   3.282
_cell_formula_units_Z            2
_cell_volume                     35.352
_database_code_amcsd             0013128
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    4.498
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012924