LMucko/crystallography-open-database huggingface dataset:
The calcium-strontium metal phase system Sample: at T = 415 C
Schottmiller, J. C.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 62 (1958) 1446–1449; doi:10.1021/j150569a024

data_9012730
_publ_section_title
;
 The calcium-strontium metal phase system
 Sample: at T = 415 C
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1446
_journal_page_last               1449
_journal_paper_doi               10.1021/j150569a024
_journal_volume                  62
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_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                   4.00
_cell_length_b                   4.00
_cell_length_c                   6.50
_cell_formula_units_Z            2
_cell_volume                     90.067
_database_code_amcsd             0013146
_diffrn_ambient_temperature      688.15
_exptl_crystal_density_diffrn    1.478
_cod_database_code               9012730
The calcium-strontium metal phase system Sample: at T = 25 C
Schottmiller, J. C.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 62 (1958) 1446–1449; doi:10.1021/j150569a024

data_9012731
_publ_section_title
;
 The calcium-strontium metal phase system
 Sample: at T = 25 C
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1446
_journal_page_last               1449
_journal_paper_doi               10.1021/j150569a024
_journal_volume                  62
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ca
_chemical_name_common            Calcium
_chemical_name_mineral           Calcium
_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                   5.601
_cell_length_b                   5.601
_cell_length_c                   5.601
_cell_formula_units_Z            4
_cell_volume                     175.710
_database_code_amcsd             0013147
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    1.515
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9012731
The calcium-strontium metal phase system Sample: at T = 615 C
Schottmiller, J. C.; King, A. J.; Kanda, F. A.; Journal of Physical Chemistry 62 (1958) 1446–1449; doi:10.1021/j150569a024

data_9012732
_publ_section_title
;
 The calcium-strontium metal phase system
 Sample: at T = 615 C
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1446
_journal_page_last               1449
_journal_paper_doi               10.1021/j150569a024
_journal_volume                  62
_journal_year                    1958
_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                   4.488
_cell_length_b                   4.488
_cell_length_c                   4.488
_cell_formula_units_Z            2
_cell_volume                     90.398
_database_code_amcsd             0013148
_diffrn_ambient_temperature      888.15
_exptl_crystal_density_diffrn    1.472
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9012732
Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 7 K, host lattice Note: y(D7) corrected
Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.; Journal of Physical Chemistry B 107 (2003) 6026–6031; doi:10.1021/jp020513n

data_9012733
_publ_section_title
;
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 7 K, host lattice
 Note: y(D7) corrected
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              6026
_journal_page_last               6031
_journal_paper_doi               10.1021/jp020513n
_journal_volume                  107
_journal_year                    2003
_chemical_formula_sum            'D2 O'
_chemical_name_common            'Tetrahydrofuran deuterate'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.103
_cell_length_b                   17.103
_cell_length_c                   17.103
_cell_formula_units_Z            136
_cell_volume                     5002.843
_diffrn_ambient_temperature      7
_exptl_crystal_density_diffrn    0.904
_cod_original_cell_volume        5002.844
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'O17 D34'
_cod_database_code               9012733
_database_code_amcsd 0013155
Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 75 K, host lattice
Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.; Journal of Physical Chemistry B 107 (2003) 6026–6031; doi:10.1021/jp020513n

data_9012734
_publ_section_title
;
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 75 K, host lattice
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              6026
_journal_page_last               6031
_journal_paper_doi               10.1021/jp020513n
_journal_volume                  107
_journal_year                    2003
_chemical_formula_sum            'D2 O'
_chemical_name_common            'Tetrahydrofuran deuterate'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.109
_cell_length_b                   17.109
_cell_length_c                   17.109
_cell_formula_units_Z            136
_cell_volume                     5008.110
_diffrn_ambient_temperature      75
_exptl_crystal_density_diffrn    0.903
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'O17 D34'
_cod_database_code               9012734
_database_code_amcsd 0013156
Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 140 K, host lattice
Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.; Journal of Physical Chemistry B 107 (2003) 6026–6031; doi:10.1021/jp020513n

data_9012735
_publ_section_title
;
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 140 K, host lattice
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              6026
_journal_page_last               6031
_journal_paper_doi               10.1021/jp020513n
_journal_volume                  107
_journal_year                    2003
_chemical_formula_sum            'D2 O'
_chemical_name_common            'Tetrahydrofuran deuterate'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.150
_cell_length_b                   17.150
_cell_length_c                   17.150
_cell_formula_units_Z            136
_cell_volume                     5044.201
_diffrn_ambient_temperature      140
_exptl_crystal_density_diffrn    0.897
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'O17 D34'
_cod_database_code               9012735
_database_code_amcsd 0013157
Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 205 K, host lattice
Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.; Journal of Physical Chemistry B 107 (2003) 6026–6031; doi:10.1021/jp020513n

data_9012736
_publ_section_title
;
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 205 K, host lattice
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              6026
_journal_page_last               6031
_journal_paper_doi               10.1021/jp020513n
_journal_volume                  107
_journal_year                    2003
_chemical_formula_sum            'D2 O'
_chemical_name_common            'Tetrahydrofuran deuterate'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.198
_cell_length_b                   17.198
_cell_length_c                   17.198
_cell_formula_units_Z            136
_cell_volume                     5086.673
_diffrn_ambient_temperature      205
_exptl_crystal_density_diffrn    0.889
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'O17 D34'
_cod_database_code               9012736
_database_code_amcsd 0013158
Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: T = 265 K, host lattice
Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.; Journal of Physical Chemistry B 107 (2003) 6026–6031; doi:10.1021/jp020513n

data_9012737
_publ_section_title
;
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: T = 265 K, host lattice
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              6026
_journal_page_last               6031
_journal_paper_doi               10.1021/jp020513n
_journal_volume                  107
_journal_year                    2003
_chemical_formula_sum            'D2 O'
_chemical_name_common            'Tetrahydrofuran deuterate'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.262
_cell_length_b                   17.262
_cell_length_c                   17.262
_cell_formula_units_Z            136
_cell_volume                     5143.673
_diffrn_ambient_temperature      265
_exptl_crystal_density_diffrn    0.879
_cod_original_cell_volume        5143.672
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'O17 D34'
_cod_database_code               9012737
_database_code_amcsd 0013159
Structure and thermal expansivity of tetrahydrofuran deuterate determined by neutron powder diffraction Sample: cell T = 7 K, positions T = 5 K, guest molecule Note: occupancies of C11 and H14 switched to reproduce reported formula
Jones, C. Y.; Marshall, S. L.; Chakoumakos, B. C.; Rawn, C. J.; Ishii, Y.; Journal of Physical Chemistry B 107 (2003) 6026–6031; doi:10.1021/jp020513n

data_9012738
_publ_section_title
;
 Structure and thermal expansivity of tetrahydrofuran deuterate determined by
 neutron powder diffraction
 Sample: cell T = 7 K, positions T = 5 K, guest molecule
 Note: occupancies of C11 and H14 switched to reproduce reported formula
;
_journal_name_full               'Journal of Physical Chemistry B'
_journal_page_first              6026
_journal_page_last               6031
_journal_paper_doi               10.1021/jp020513n
_journal_volume                  107
_journal_year                    2003
_chemical_formula_sum            'C0.333 H0.667 O0.083'
_chemical_name_mineral           'Hydrate - tetrahydrofuran'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   17.103
_cell_length_b                   17.103
_cell_length_c                   17.103
_cell_formula_units_Z            96
_cell_volume                     5002.843
_database_code_amcsd             0013160
_diffrn_ambient_temperature      7
_exptl_crystal_density_diffrn    0.191
_cod_original_cell_volume        5002.844
_cod_original_sg_symbol_H-M      'F d 3 m'
_cod_original_formula_sum        'C.333 H.667 O.083'
_cod_database_code               9012738
The crystal structure of zinc metantimonate and similar compounds
Bystrom, A.; Hok, B.; Mason, B.; Arkiv for Kemi, Mineralogi och Geologi,  (1942) 1–8; doi:

data_9012739
_publ_section_title
;
 The crystal structure of zinc metantimonate and similar compounds
;
_journal_name_full               'Arkiv for Kemi, Mineralogi och Geologi,'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  15B4
_journal_year                    1942
_chemical_compound_source        Synthetic
_chemical_formula_sum            'O6 Sb2 Zn'
_chemical_name_mineral           Ordonezite
_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                   4.66
_cell_length_b                   4.66
_cell_length_c                   9.24
_cell_formula_units_Z            2
_cell_volume                     200.652
_database_code_amcsd             0012040
_exptl_crystal_density_diffrn    6.701
_cod_original_formula_sum        'Zn Sb2 O6'
_cod_database_code               9012739
The crystal structure of zinc metantimonate and similar compounds
Bystrom, A.; Hok, B.; Mason, B.; Arkiv for Kemi, Mineralogi och Geologi,  (1942) 1–8; doi:

data_9012740
_publ_section_title
;
 The crystal structure of zinc metantimonate and similar compounds
;
_journal_name_full               'Arkiv for Kemi, Mineralogi och Geologi,'
_journal_page_first              1
_journal_page_last               8
_journal_volume                  15B4
_journal_year                    1942
_chemical_compound_source        Synthetic
_chemical_formula_structural     CuSb2O6
_chemical_formula_sum            'Cu O6 Sb2'
_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                 88.5
_cell_angle_gamma                90
_cell_length_a                   4.62
_cell_length_b                   4.62
_cell_length_c                   9.28
_cell_formula_units_Z            2
_cell_volume                     198.008
_database_code_amcsd             0012041
_exptl_crystal_density_diffrn    6.760
_cod_original_formula_sum        'Cu Sb2 O6'
_cod_database_code               9012740
_amcsd_formula_title             CuSb2O6
On the crystal structure of KUO2VO4 (synthetic anhydrous carnotite)
Sundberg, I.; Sillen, L. G.; Arkiv for Kemi 1 (1949) 337–351; doi:

data_9012741
_publ_section_title
;
 On the crystal structure of KUO2VO4 (synthetic anhydrous carnotite)
;
_journal_name_full               'Arkiv for Kemi'
_journal_page_first              337
_journal_page_last               351
_journal_volume                  1
_journal_year                    1949
_chemical_compound_source        Synthetic
_chemical_formula_sum            'K O6 U V'
_chemical_name_mineral           Carnotite
_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                 104.2
_cell_angle_gamma                90
_cell_length_a                   6.59
_cell_length_b                   8.403
_cell_length_c                   10.43
_cell_formula_units_Z            4
_cell_volume                     559.922
_database_code_amcsd             0012038
_exptl_crystal_density_diffrn    5.031
_cod_original_formula_sum        'K U V O6'
_cod_database_code               9012741
The crystal structure of sarabauite CaSb10O10S6, a new oxide sulfide mineral
Nakai, I.; Koto, K.; Nagashima, K.; Morimoto, N.; Chemistry Letters 1977 (1977) 275–276; doi:

data_9012742
_publ_section_title
;
 The crystal structure of sarabauite CaSb10O10S6, a new oxide sulfide mineral
;
_journal_name_full               'Chemistry Letters'
_journal_page_first              275
_journal_page_last               276
_journal_volume                  1977
_journal_year                    1977
_chemical_compound_source        'Sarabau mine, Sarawak, Malaysia'
_chemical_formula_sum            'Ca O10 S6 Sb10'
_chemical_name_mineral           Sarabauite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.51
_cell_angle_gamma                90
_cell_length_a                   25.330
_cell_length_b                   5.655
_cell_length_c                   16.880
_cell_formula_units_Z            4
_cell_volume                     2144.518
_database_code_amcsd             0012196
_exptl_crystal_density_diffrn    4.987
_cod_original_formula_sum        'Ca Sb10 O10 S6'
_cod_database_code               9012742
Crystal structure of a new representative of ring silicates
Rastsvetaeva, R. K.; Evsyunin, V. G.; Kashaev, A. A.; Doklady Chemistry 340 (1995) 49–51; doi:

data_9012743
_publ_section_title
;
 Crystal structure of a new representative of ring silicates
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              49
_journal_page_last               51
_journal_volume                  340
_journal_year                    1995
_chemical_formula_sum            'Be4 Ca3 K2 Li0.25 Na3.75 O38 Si12 Ti2'
_chemical_name_mineral           Odintsovite
_space_group_IT_number           70
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   14.243
_cell_length_b                   13.045
_cell_length_c                   33.4839
_cell_formula_units_Z            8
_cell_volume                     6221.306
_database_code_amcsd             0012499
_exptl_crystal_density_diffrn    2.911
_cod_original_sg_symbol_H-M      'F d d d'
_cod_original_formula_sum        'K2 Na3.75 Ca3 Li.25 Ti2 Be4 Si12 O38'
_cod_database_code               9012743
Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the hilairite group: crystal structure
Rastsvetaeva, R. K.; Khomyakov, A. P.; Doklady Chemistry 351 (1996) 283–286; doi:

data_9012744
_publ_section_title
;
 Crystal structure of pyatenkoite-(Y) Na5YTiSi6O18*6H2O, a new mineral of the
 hilairite group: crystal structure
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              283
_journal_page_last               286
_journal_volume                  351
_journal_year                    1996
_chemical_compound_source        'Lovozero massif, Kola Peninsula, Russia'
_chemical_formula_sum            'Dy0.3 Gd0.2 H12 Na5 Nb0.2 O24 Si6 Ti0.8 Y0.5'
_chemical_name_mineral           Pyatenkoite-(Y)
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   10.696
_cell_length_b                   10.696
_cell_length_c                   15.728
_cell_volume                     1558.285
_database_code_amcsd             0012500
_exptl_crystal_density_diffrn    2.753
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_original_formula_sum        'Na5 (Y.5 Dy.3 Gd.2) (Ti.8 Nb.2) Si6 O24 H12'
_cod_database_code               9012744
Crystal structure and microtwinning of a new monoclinic analog of nenadkevichite
Rastsvetaeva, R. K.; Arakcheeva, A. V.; Khomyakov, A. P.; Doklady Chemistry 351 (1996) 294–297; doi:

data_9012745
_publ_section_title
;
 Crystal structure and microtwinning of a new monoclinic analog of
 nenadkevichite
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              294
_journal_page_last               297
_journal_volume                  351
_journal_year                    1996
_chemical_compound_source
'Khibiny alkaline massif, Kola Peninsula, Russia'
_chemical_formula_sum            'H1.23 K0.875 Na0.43 Nb0.3 O7.89 Si2 Ti0.7'
_chemical_name_mineral           Lemmleinite-K
_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                 117.6
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.39
_cell_length_b                   13.900
_cell_length_c                   7.825
_cell_volume                     1387.054
_database_code_amcsd             0012501
_exptl_crystal_density_diffrn    2.769
_cod_original_formula_sum        'Na.43 K.875 (Ti.7 Nb.3) Si2 O7.89 H1.23'
_cod_database_code               9012745
Crystal structure of new native compound Cu4Al3(OH)14F3(H2O)2
Rastsvetaeva, R. K.; Chukanov, N. V.; Karpenko, V. Y.; Doklady Chemistry 353 (1997) 45–48; doi:

data_9012746
_publ_section_title
;
 Crystal structure of new native compound Cu4Al3(OH)14F3(H2O)2
;
_journal_name_full               'Doklady Chemistry'
_journal_page_first              45
_journal_page_last               48
_journal_volume                  353
_journal_year                    1997
_chemical_compound_source        'Khaidarkan, Kyrgyzstan'
_chemical_formula_sum            'Al0.745 Cu F0.73 H4.5 O4'
_chemical_name_mineral           Khaidarkanite
_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                 97.90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.326
_cell_length_b                   2.907
_cell_length_c                   10.369
_cell_volume                     368.013
_database_code_amcsd             0012502
_exptl_crystal_density_diffrn    2.997
_cod_original_formula_sum        'Cu Al.745 O4 F.73 H4.5'
_cod_database_code               9012746