LMucko/crystallography-open-database huggingface dataset:
The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8 Sample: C2/m refinement
Miyawaki, R.; Matsubara, S.; Miyajima, H.; Journal of Mineralogical and Petrological Sciences 97 (2002) 7–12; doi:10.2465/jmps.97.7

data_9013112
_publ_section_title
;
 The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8
 Sample: C2/m refinement
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              7
_journal_page_last               12
_journal_paper_doi               10.2465/jmps.97.7
_journal_volume                  97
_journal_year                    2002
_chemical_compound_source        'Itoigawa, Niigata Prefecture, Japan'
_chemical_formula_sum
'Al0.1 Ce0.154 Fe0.22 O22 Si4 Sr3.846 Ti3.68 Zr'
_chemical_name_mineral           Rengeite
_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                 114.215
_cell_angle_gamma                90
_cell_length_a                   13.9830
_cell_length_b                   5.6722
_cell_length_c                   11.9960
_cell_formula_units_Z            2
_cell_volume                     867.739
_database_code_amcsd             0013129
_exptl_crystal_density_diffrn    4.230
_cod_original_formula_sum
'(Sr3.846 Ce.154) Zr Ti3.68 Al.1 Fe.22 Si4 O22'
_cod_database_code               9013112
The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8 Sample: P2_1/a refinement
Miyawaki, R.; Matsubara, S.; Miyajima, H.; Journal of Mineralogical and Petrological Sciences 97 (2002) 7–12; doi:10.2465/jmps.97.7

data_9013113
_publ_section_title
;
 The crystal structure of rengeite, Sr4ZrTi4(Si2O7)2O8
 Sample: P2_1/a refinement
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              7
_journal_page_last               12
_journal_paper_doi               10.2465/jmps.97.7
_journal_volume                  97
_journal_year                    2002
_chemical_compound_source        'Itoigawa, Niigata Prefecture, Japan'
_chemical_formula_sum
'Al0.1 Ce0.158 Fe0.2 O22 Si4 Sr3.842 Ti3.7 Zr'
_chemical_name_mineral           Rengeite
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 114.215
_cell_angle_gamma                90
_cell_length_a                   13.9830
_cell_length_b                   5.6722
_cell_length_c                   11.9960
_cell_formula_units_Z            2
_cell_volume                     867.739
_database_code_amcsd             0013130
_exptl_crystal_density_diffrn    4.230
_cod_original_formula_sum        '(Sr3.842 Ce.158) Zr Ti3.7 Al.1 Fe.2 Si4 O22'
_cod_database_code               9013113
Watatsumiite, KNa2LiMn2V2Si8O24, a new mineral from the Tanohata mine, Iwate Prefecture, Japan Locality: metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan
Matsubara, S.; Miyawaki, R.; Kurosawa, M.; Suzuki, Y.; Journal of Mineralogical and Petrological Sciences 98 (2003) 142–150; doi:10.2465/jmps.98.142

data_9013114
_publ_section_title
;Watatsumiite, KNa2LiMn2V2Si8O24, a new mineral from the Tanohata mine, Iwate
 Prefecture, Japan Locality: metamorphosed manganese ore deposit, Tanohata
 mine, Iwate Prefecture, Japan
;
_journal_name_full
'Journal of Mineralogical and Petrological Sciences'
_journal_page_first              142
_journal_page_last               150
_journal_paper_doi               10.2465/jmps.98.142
_journal_volume                  98
_journal_year                    2003
_chemical_compound_source
'metamorphosed manganese ore deposit, Tanohata mine, Iwate Prefecture, Japan'
_chemical_formula_sum
'Ba0.05 K0.95 Li Mg0.431 Mn1.569 Na2 O24 Si8 Ti0.34 V1.66'
_chemical_name_mineral           Watatsumiite
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.32
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.450
_cell_length_b                   12.492
_cell_length_c                   9.995
_cell_volume                     1856.595
_database_code_amcsd             0013131
_exptl_crystal_density_diffrn    3.231
_cod_original_formula_sum
'(K.95 Ba.05) Na2 Li (Mn1.569 Mg.431) (V1.66 Ti.34) Si8 O24'
_cod_database_code               9013114
The crystal structure of qitianlingite (Fe2Nb2WO10)
Zhizhong, P.; Su, W.; Zhesheng, M.; Guangming, Y.; Kexue Tongbao 33 (1988) 856–861; doi:

data_9013115
_publ_section_title
;
 The crystal structure of qitianlingite (Fe2Nb2WO10)
;
_journal_name_full               'Kexue Tongbao'
_journal_page_first              856
_journal_page_last               861
_journal_volume                  33
_journal_year                    1988
_chemical_compound_source        'Qitianling, Hunan Province, China'
_chemical_formula_sum
'Fe1.345 Mn0.559 Nb1.691 O10 Sn0.016 Ta0.351 Ti0.102 W0.919'
_chemical_name_mineral           Qitianlingite
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   23.706
_cell_length_b                   5.723
_cell_length_c                   5.045
_cell_volume                     684.452
_database_code_amcsd             0014177
_exptl_crystal_density_diffrn    6.425
_cod_original_formula_sum
'Fe1.345 Mn.559 Sn.016 Nb1.691 Ta.351 Ti.102 W.919 O10'
_cod_database_code               9013115
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 5 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013116
_publ_section_title
;The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine Locality: synthetic Sample: at T = 5 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Br2
_chemical_name_common            Bromine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.5672
_cell_length_b                   4.4678
_cell_length_c                   8.6938
_cell_formula_units_Z            4
_cell_volume                     255.084
_diffrn_ambient_temperature      5
_exptl_crystal_density_diffrn    4.161
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013116
_database_code_amcsd 0014654
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 80 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013117
_publ_section_title
;The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine Locality: synthetic Sample: at T = 80 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Br2
_chemical_name_common            Bromine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.5982
_cell_length_b                   4.4933
_cell_length_c                   8.7014
_cell_formula_units_Z            4
_cell_volume                     257.976
_diffrn_ambient_temperature      80
_exptl_crystal_density_diffrn    4.115
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013117
_database_code_amcsd 0014655
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 170 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013118
_publ_section_title
;The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine Locality: synthetic Sample: at T = 170 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Br2
_chemical_name_common            Bromine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.6567
_cell_length_b                   4.5541
_cell_length_c                   8.7068
_cell_formula_units_Z            4
_cell_volume                     263.949
_diffrn_ambient_temperature      170
_exptl_crystal_density_diffrn    4.021
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013118
_database_code_amcsd 0014656
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 250 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013119
_publ_section_title
;The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine Locality: synthetic Sample: at T = 250 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Br2
_chemical_name_common            Bromine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.7265
_cell_length_b                   4.6451
_cell_length_c                   8.7023
_cell_formula_units_Z            4
_cell_volume                     271.906
_diffrn_ambient_temperature      250
_exptl_crystal_density_diffrn    3.904
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013119
_database_code_amcsd 0014657
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 22 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013120
_publ_section_title
;
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Locality: synthetic
 Sample: at T = 22 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Cl2
_chemical_name_common            Chlorine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1453
_cell_length_b                   4.3954
_cell_length_c                   8.1537
_cell_volume                     220.240
_diffrn_ambient_temperature      22
_exptl_crystal_density_diffrn    2.138
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013120
_database_code_amcsd 0014658
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 55 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013121
_publ_section_title
;
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Locality: synthetic
 Sample: at T = 55 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Cl2
_chemical_name_common            Chlorine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.1804
_cell_length_b                   4.4174
_cell_length_c                   8.1711
_cell_volume                     223.082
_diffrn_ambient_temperature      55
_exptl_crystal_density_diffrn    2.111
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013121
_database_code_amcsd 0014659
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 100 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013122
_publ_section_title
;
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Locality: synthetic
 Sample: at T = 100 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Cl2
_chemical_name_common            Chlorine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2235
_cell_length_b                   4.4561
_cell_length_c                   8.1785
_cell_volume                     226.811
_diffrn_ambient_temperature      100
_exptl_crystal_density_diffrn    2.076
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013122
_database_code_amcsd 0014660
The temperature dependence of the crystal structures of the solid halogens, bromine and chlorine Locality: synthetic Sample: at T = 160 K
Powell, B. M.; Heal, K. M.; Torrie, B. H.; Molecular Physics 53 (1984) 929–939; doi:10.1080/00268978400102741

data_9013123
_publ_section_title
;
 The temperature dependence of the crystal structures of the solid halogens,
 bromine and chlorine
 Locality: synthetic
 Sample: at T = 160 K
;
_journal_name_full               'Molecular Physics'
_journal_page_first              929
_journal_page_last               939
_journal_paper_doi               10.1080/00268978400102741
_journal_volume                  53
_journal_year                    1984
_chemical_formula_sum            Cl2
_chemical_name_common            Chlorine
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.2929
_cell_length_b                   4.5361
_cell_length_c                   8.1617
_cell_volume                     232.978
_diffrn_ambient_temperature      160
_exptl_crystal_density_diffrn    2.022
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9013123
_database_code_amcsd 0014661
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 66 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013124
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 66 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.965
_cell_length_b                   3.965
_cell_length_c                   3.091
_cell_formula_units_Z            3
_cell_volume                     42.084
_database_code_amcsd             0012740
_diffrn_ambient_pressure         6.6e+07
_exptl_crystal_density_diffrn    9.347
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013124
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 76.9 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013125
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 76.9 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.937
_cell_length_b                   3.937
_cell_length_c                   3.044
_cell_formula_units_Z            3
_cell_volume                     40.861
_database_code_amcsd             0012741
_diffrn_ambient_pressure         7.69e+07
_exptl_crystal_density_diffrn    9.627
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013125
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 86.2 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013126
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 86.2 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.908
_cell_length_b                   3.908
_cell_length_c                   2.985
_cell_formula_units_Z            3
_cell_volume                     39.481
_database_code_amcsd             0012742
_diffrn_ambient_pressure         8.62e+07
_exptl_crystal_density_diffrn    9.963
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013126
Structural study on pressure-induced phase transition from beta-Po type to bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 87.9 GPa Note: structure known as beta-Po type, phase Se V
Akahama, Y.; Kobayashi, M.; Kawamura, H.; Japanese Journal of Applied Physics 31 (1992) 1621–1624; doi:

data_9013127
_publ_section_title
;Structural study on pressure-induced phase transition from beta-Po type to
 bcc in selenium at 140 GPa Locality: synthetic Sample: at P = 87.9 GPa Note:
 structure known as beta-Po type, phase Se V
;
_journal_name_full               'Japanese Journal of Applied Physics'
_journal_page_first              1621
_journal_page_last               1624
_journal_volume                  31
_journal_year                    1992
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.8920
_cell_length_b                   3.8920
_cell_length_c                   2.9572
_cell_formula_units_Z            3
_cell_volume                     38.793
_database_code_amcsd             0012743
_diffrn_ambient_pressure         8.79e+07
_exptl_crystal_density_diffrn    10.140
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9013127