LMucko/crystallography-open-database huggingface dataset:
Density and expansivity of solid xenon Sample: at T = 45 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012458
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 45 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.1599
_cell_length_b                   6.1599
_cell_length_c                   6.1599
_cell_formula_units_Z            4
_cell_volume                     233.734
_database_code_amcsd             0012965
_diffrn_ambient_temperature      45
_exptl_crystal_density_diffrn    3.731
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012458
Density and expansivity of solid xenon Sample: at T = 50 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012459
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 50 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.1660
_cell_length_b                   6.1660
_cell_length_c                   6.1660
_cell_formula_units_Z            4
_cell_volume                     234.429
_database_code_amcsd             0012966
_diffrn_ambient_temperature      50
_exptl_crystal_density_diffrn    3.720
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012459
Density and expansivity of solid xenon Sample: at T = 55 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012460
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 55 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.1727
_cell_length_b                   6.1727
_cell_length_c                   6.1727
_cell_formula_units_Z            4
_cell_volume                     235.194
_database_code_amcsd             0012967
_diffrn_ambient_temperature      55
_exptl_crystal_density_diffrn    3.708
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012460
Density and expansivity of solid xenon Sample: at T = 60 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012461
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 60 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.1796
_cell_length_b                   6.1796
_cell_length_c                   6.1796
_cell_formula_units_Z            4
_cell_volume                     235.983
_database_code_amcsd             0012968
_diffrn_ambient_temperature      60
_exptl_crystal_density_diffrn    3.695
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012461
Density and expansivity of solid xenon Sample: at T = 65 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012462
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 65 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.1869
_cell_length_b                   6.1869
_cell_length_c                   6.1869
_cell_formula_units_Z            4
_cell_volume                     236.820
_database_code_amcsd             0012969
_diffrn_ambient_temperature      65
_exptl_crystal_density_diffrn    3.682
_cod_original_cell_volume        236.821
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012462
Density and expansivity of solid xenon Sample: at T = 70 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012463
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 70 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.1945
_cell_length_b                   6.1945
_cell_length_c                   6.1945
_cell_formula_units_Z            4
_cell_volume                     237.694
_database_code_amcsd             0012970
_diffrn_ambient_temperature      70
_exptl_crystal_density_diffrn    3.669
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012463
Density and expansivity of solid xenon Sample: at T = 75 K
Sears, D. R.; Klug, H. P.; Journal of Chemical Physics 37 (1962) 3002–3006; doi:10.1063/1.1733133

data_9012464
_publ_section_title
;
 Density and expansivity of solid xenon
 Sample: at T = 75 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3002
_journal_page_last               3006
_journal_paper_doi               10.1063/1.1733133
_journal_volume                  37
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Xe
_chemical_name_common            Xenon
_chemical_name_mineral           Xenon
_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                   6.2023
_cell_length_b                   6.2023
_cell_length_c                   6.2023
_cell_formula_units_Z            4
_cell_volume                     238.593
_database_code_amcsd             0012971
_diffrn_ambient_temperature      75
_exptl_crystal_density_diffrn    3.655
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012464
Single-crystal X-ray diffraction study of beta-fluorine Note: T = 50 K Note: beta phase, stable between T = 45.55 K & 53.54 K
Jordan, T. H.; Streib, W. E.; Lipscomb, W. N.; Journal of Chemical Physics 41 (1964) 760–764; doi:10.1063/1.1725957

data_9012465
_publ_section_title
;
 Single-crystal X-ray diffraction study of beta-fluorine
 Note: T = 50 K
 Note: beta phase, stable between T = 45.55 K & 53.54 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              760
_journal_page_last               764
_journal_paper_doi               10.1063/1.1725957
_journal_volume                  41
_journal_year                    1964
_chemical_compound_source        Synthetic
_chemical_formula_sum            F
_chemical_name_mineral           Fluorine
_chemical_name_systematic        Fluorine
_space_group_IT_number           223
_space_group_name_Hall           '-P 4n 2 3'
_space_group_name_H-M_alt        'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   6.67
_cell_length_b                   6.67
_cell_length_c                   6.67
_cell_volume                     296.741
_diffrn_ambient_temperature      50
_exptl_crystal_density_diffrn    0.851
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_database_code               9012465
Crystal structures of manganese(II) and iron(II) chloride dihydrate
Morosin, B.; Graeber, E. J.; Journal of Chemical Physics 42 (1965) 898–901; doi:10.1063/1.1696078

data_9012466
_publ_section_title
;
 Crystal structures of manganese(II) and iron(II) chloride dihydrate
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              898
_journal_page_last               901
_journal_paper_doi               10.1063/1.1696078
_journal_volume                  42
_journal_year                    1965
_chemical_compound_source        Synthetic
_chemical_formula_structural     FeCl2*2(H2O)
_chemical_formula_sum            'Cl2 Fe H4 O2'
_chemical_name_mineral           Rokuehnite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.18
_cell_angle_gamma                90
_cell_length_a                   7.355
_cell_length_b                   8.548
_cell_length_c                   3.637
_cell_formula_units_Z            2
_cell_volume                     226.334
_database_code_amcsd             0012973
_exptl_crystal_density_diffrn    2.389
_cod_original_formula_sum        'Fe Cl2 O2 H4'
_cod_database_code               9012466
Crystal structures of manganese(II) and iron(II) chloride dihydrate
Morosin, B.; Graeber, E. J.; Journal of Chemical Physics 42 (1965) 898–901; doi:10.1063/1.1696078

data_9012467
_publ_section_title
;
 Crystal structures of manganese(II) and iron(II) chloride dihydrate
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              898
_journal_page_last               901
_journal_paper_doi               10.1063/1.1696078
_journal_volume                  42
_journal_year                    1965
_chemical_formula_structural     MnCl2*2(H2O)
_chemical_formula_sum            'Cl2 H4 Mn O2'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.67
_cell_angle_gamma                90
_cell_length_a                   7.409
_cell_length_b                   8.800
_cell_length_c                   3.691
_cell_formula_units_Z            2
_cell_volume                     237.900
_database_code_amcsd             0012974
_exptl_crystal_density_diffrn    2.260
_cod_original_formula_sum        'Mn Cl2 O2 H4'
_cod_database_code               9012467
_amcsd_formula_title             MnCl2*2(H2O)
Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate Sample: T = -25 C, 6.4C2H4O*46H2O
McMullan, R. K.; Jeffery, G. A.; Journal of Chemical Physics 42 (1965) 2725–2732; doi:10.1063/1.1703228

data_9012468
_publ_section_title
;
 Polyhedral clathrate hydrates. IX. Structure of ethylene oxide hydrate
 Sample: T = -25 C, 6.4C2H4O*46H2O
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              2725
_journal_page_last               2732
_journal_paper_doi               10.1063/1.1703228
_journal_volume                  42
_journal_year                    1965
_chemical_formula_sum            'C6.2 H46 O26'
_chemical_name_common            Clathrat
_chemical_name_mineral           'Hydrate - ethylene oxide'
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.03
_cell_length_b                   12.03
_cell_length_c                   12.03
_cell_volume                     1740.992
_database_code_amcsd             0012975
_diffrn_ambient_temperature      248.15
_exptl_crystal_density_diffrn    1.024
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        'C6.2 O26 H46'
_cod_database_code               9012468
On the structure of trigonal ammonium fluorosilicate
Schlemper, E. O.; Hamilton, W. C.; Journal of Chemical Physics 45 (1966) 408–409; doi:10.1063/1.2716548

data_9012469
_publ_section_title
;
 On the structure of trigonal ammonium fluorosilicate
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              408
_journal_page_last               409
_journal_paper_doi               10.1063/1.2716548
_journal_volume                  45
_journal_year                    1966
_chemical_compound_source        Synthetic
_chemical_formula_sum            'F6 N2 Si'
_chemical_name_mineral           Bararite
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.784
_cell_length_b                   5.784
_cell_length_c                   4.796
_cell_volume                     138.953
_database_code_amcsd             0012988
_exptl_crystal_density_diffrn    2.033
_cod_original_cell_volume        138.952
_cod_original_formula_sum        'N2 Si F6'
_cod_database_code               9012469
Hexagonal diamond-a new form of carbon
Bundy, F. P.; Kasper, J. S.; Journal of Chemical Physics 46 (1967) 3437–3446; doi:10.1063/1.1841236

data_9012470
_publ_section_title
;
 Hexagonal diamond-a new form of carbon
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              3437
_journal_page_last               3446
_journal_volume                  46
_journal_year                    1967
_chemical_formula_sum            C
_chemical_name_mineral           Lonsdaleite
_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                   2.52
_cell_length_b                   2.52
_cell_length_c                   4.12
_cell_formula_units_Z            4
_cell_volume                     22.658
_exptl_crystal_density_diffrn    3.521
_cod_database_code               9012470
_journal_paper_doi 10.1063/1.1841236
_database_code_amcsd 0012989
Crystal structure of alpha-fluorine Sample: at T = 23 K Note: alpha phase, stable between T = 0 K & 45.6 K
Meyer, L.; Barrett, C. S.; Greer, S. C.; Journal of Chemical Physics 49 (1968) 1902–1907; doi:10.1063/1.1670323

data_9012471
_publ_section_title
;
 Crystal structure of alpha-fluorine
 Sample: at T = 23 K
 Note: alpha phase, stable between T = 0 K & 45.6 K
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1902
_journal_page_last               1907
_journal_paper_doi               10.1063/1.1670323
_journal_volume                  49
_journal_year                    1968
_chemical_compound_source        Synthetic
_chemical_formula_sum            F2
_chemical_name_mineral           Fluorine
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 134.66
_cell_angle_gamma                90
_cell_length_a                   5.50
_cell_length_b                   3.28
_cell_length_c                   10.01
_cell_formula_units_Z            4
_cell_volume                     128.445
_database_code_amcsd             0012990
_diffrn_ambient_temperature      23
_exptl_crystal_density_diffrn    1.965
_cod_database_code               9012471
Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, X-ray data
Kleinberg, R.; Journal of Chemical Physics 50 (1969) 4690–4696; doi:10.1063/1.1670957

data_9012472
_publ_section_title
;
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = room temp, X-ray data
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4690
_journal_page_last               4696
_journal_paper_doi               10.1063/1.1670957
_journal_volume                  50
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl2 H12 Ni O6'
_chemical_name_mineral           Nickelbischofite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.17
_cell_angle_gamma                90
_cell_length_a                   10.23
_cell_length_b                   7.05
_cell_length_c                   6.57
_cell_formula_units_Z            2
_cell_volume                     401.091
_database_code_amcsd             0012993
_exptl_crystal_density_diffrn    1.968
_cod_original_formula_sum        'Ni Cl2 O6 H12'
_cod_database_code               9012472
Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = room temp, neutron data
Kleinberg, R.; Journal of Chemical Physics 50 (1969) 4690–4696; doi:10.1063/1.1670957

data_9012473
_publ_section_title
;
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = room temp, neutron data
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4690
_journal_page_last               4696
_journal_paper_doi               10.1063/1.1670957
_journal_volume                  50
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl2 H12 Ni O6'
_chemical_name_mineral           Nickelbischofite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.23
_cell_angle_gamma                90
_cell_length_a                   10.24
_cell_length_b                   7.04
_cell_length_c                   6.58
_cell_formula_units_Z            2
_cell_volume                     401.259
_database_code_amcsd             0012994
_exptl_crystal_density_diffrn    1.967
_cod_original_formula_sum        'Ni Cl2 O6 H12'
_cod_database_code               9012473
Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron diffraction Sample: T = 4.2 K, neutron data
Kleinberg, R.; Journal of Chemical Physics 50 (1969) 4690–4696; doi:10.1063/1.1670957

data_9012474
_publ_section_title
;
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = 4.2 K, neutron data
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              4690
_journal_page_last               4696
_journal_paper_doi               10.1063/1.1670957
_journal_volume                  50
_journal_year                    1969
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cl2 H12 Ni O6'
_chemical_name_mineral           Nickelbischofite
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.53
_cell_angle_gamma                90
_cell_length_a                   10.20
_cell_length_b                   7.05
_cell_length_c                   6.50
_cell_formula_units_Z            2
_cell_volume                     394.082
_database_code_amcsd             0012995
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    2.003
_cod_original_formula_sum        'Ni Cl2 O6 H12'
_cod_database_code               9012474
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20.5 K and P = .4068 GPa Note: gamma phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012475
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 20.5 K and P = .4068 GPa
 Note: gamma phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.957
_cell_length_b                   3.957
_cell_length_c                   5.109
_cell_formula_units_Z            2
_cell_volume                     79.996
_database_code_amcsd             0012996
_diffrn_ambient_pressure         4.068e+05
_diffrn_ambient_temperature      20.5
_exptl_crystal_density_diffrn    1.163
_cod_database_code               9012475