LMucko/crystallography-open-database huggingface dataset:
X-ray and neutron diffraction study of hemimorphite : Neutron result at room temperature
Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H.; Proceedings of the Japan Academy, Series B 54 (1978) 577–582; doi:

data_1549773
_publ_section_title
;
 X-ray and neutron diffraction study of hemimorphite : Neutron result at
 room temperature
;
_journal_name_full               'Proceedings of the Japan Academy, Series B'
_journal_page_first              577
_journal_page_last               582
_journal_volume                  54
_journal_year                    1978
_chemical_formula_sum            'H2 O5 Si Zn2'
_chemical_name_common            hemimorphite
_chemical_name_mineral           hemimorphite
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.366(1)
_cell_length_b                   10.714(1)
_cell_length_c                   5.113(1)
_cell_volume                     458.30(11)
_diffrn_ambient_temperature      298
_cod_data_source_file            hemimorphite-Takeuchi-NDRT.cif
_cod_data_source_block           hemimorphite_ND_RT
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               1549773
X-ray and neutron diffraction study of hemimorphite : XRD result at room temperature
Takeuchi, Y.; Sasaki, S.; Joswig, W.; Fuess, H.; Proceedings of the Japan Academy, Series B 54 (1978) 577–582; doi:

data_1549774
_publ_section_title
;
 X-ray and neutron diffraction study of hemimorphite : XRD result at room
 temperature
;
_journal_name_full               'Proceedings of the Japan Academy, Series B'
_journal_page_first              577
_journal_page_last               582
_journal_volume                  54
_journal_year                    1978
_chemical_formula_sum            'H2 O5 Si Zn2'
_chemical_name_common            hemimorphite
_chemical_name_mineral           hemimorphite
_space_group_IT_number           44
_space_group_name_H-M_alt        'I m m 2'
_symmetry_space_group_name_Hall  'I 2 -2'
_symmetry_space_group_name_H-M   'I m m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.366(1)
_cell_length_b                   10.714(1)
_cell_length_c                   5.113(1)
_cell_volume                     458.30(11)
_diffrn_ambient_temperature      300
_cod_data_source_file            hemimorphite-Takeuchi-XRD.cif
_cod_data_source_block           hemimorphite_XRD
_cod_original_formula_sum        'Zn2 Si O5 H2'
_cod_database_code               1549774
Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)
Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 6 (2018) 247–253; doi:

data_1549900
_publ_section_title
;
 Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A:
 Mg, Zn; M: Nb, Ta)
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'O2 Ta0.5 Ti0.25 Zn0.25'
_chemical_name_common            ZnTiTa2O8
_space_group_IT_number           136
_space_group_name_H-M_alt        'P 42/m n m'
_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_formula_units_Z            6
_cell_length_a                   4.6987(7)
_cell_length_b                   4.6987(7)
_cell_length_c                   9.1296(1)
_cell_volume                     201.56(4)
_cod_data_source_file            ZnTiTa2O8.cif
_cod_data_source_block           ZnTiTa2O8
_cod_original_formula_sum        'Zn0.25 Ti0.25 Ta0.5 O2'
_cod_database_code               1549900
Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)
Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 6 (2018) 247–253; doi:

data_1549901
_publ_section_title
;
 Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A:
 Mg, Zn; M: Nb, Ta)
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'Nb0.5 O2 Ti0.25 Zn0.25'
_chemical_name_common            ZnTiNb2O8
_space_group_IT_number           60
_space_group_name_H-M_alt        'P b c n'
_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                   4.67138(6)
_cell_length_b                   5.65916(7)
_cell_length_c                   5.00745(6)
_cell_volume                     132.377(3)
_cod_data_source_file            ZnTiNb2O8.cif
_cod_data_source_block           ZnTiNb2O8
_cod_original_formula_sum        'Zn0.25 Ti0.25 Nb0.5 O2'
_cod_database_code               1549901
Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)
Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 6 (2018) 247–253; doi:

data_1549902
_publ_section_title
;
 Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A:
 Mg, Zn; M: Nb, Ta)
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'Mg0.25 Nb0.5 O2 Ti0.25'
_chemical_name_common            MgTiNb2O8
_space_group_IT_number           136
_space_group_name_H-M_alt        'P 42/m n m'
_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_formula_units_Z            1
_cell_length_a                   4.69585(8)
_cell_length_b                   4.69585(8)
_cell_length_c                   3.04260(6)
_cell_volume                     67.092(2)
_cod_data_source_file            MgTiNb2O8.cif
_cod_data_source_block           MgTiNb2O8
_cod_original_formula_sum        'Mg0.25 Ti0.25 Nb0.5 O2'
_cod_database_code               1549902
Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A: Mg, Zn; M: Nb, Ta)
Kumada, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Fujii, I.; Wada, S.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 6 (2018) 247–253; doi:

data_1549903
_publ_section_title
;
 Crystal structure, photocatalytic and dielectric property of ATiM2O8 (A:
 Mg, Zn; M: Nb, Ta)
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              247
_journal_page_last               253
_journal_volume                  6
_journal_year                    2018
_chemical_formula_sum            'Mg0.25 O2 Ta0.5 Ti0.25'
_chemical_name_common            MgTiTa2O8
_space_group_IT_number           136
_space_group_name_H-M_alt        'P 42/m n m'
_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_formula_units_Z            6
_cell_length_a                   4.6876(2)
_cell_length_b                   4.6876(2)
_cell_length_c                   9.1385(3)
_cell_volume                     200.806(14)
_cod_data_source_file            MgTiTa2O8.cif
_cod_data_source_block           MgTiTa2O8
_cod_original_formula_sum        'Mg0.25 Ti0.25 Ta0.5 O2'
_cod_database_code               1549903
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 443 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:10.1524/zkri.1986.177.1-2.27

data_8104534
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature: A study
 based on second-order thermal-vibrational parameters : structure at 443 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_journal_paper_doi               10.1524/zkri.1986.177.1-2.27
_chemical_formula_sum            'O2 Si'
_chemical_name_common            tridymite
_chemical_name_mineral           'tridymite OC at 443 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.730(11)
_cell_length_b                   5.000(6)
_cell_length_c                   8.201(6)
_cell_volume                     358.0(7)
_diffrn_ambient_temperature      443
_cod_data_source_file            tridymite-OC-443K.cif
_cod_data_source_block           tridymite-OC-443K
_cod_depositor_comments
;I added measured temperature tag as there are a series of structures
 with different temperatures.
;
_cod_original_formula_sum        'Si O2'
_cod_database_code               8104534
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 573 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:

data_8104535
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature: A study
 based on second-order thermal-vibrational parameters : structure at 573 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_chemical_formula_sum            'O2 Si'
_chemical_name_common            tridymite
_chemical_name_mineral           'tridymite OC at 573 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.764(14)
_cell_length_b                   5.039(6)
_cell_length_c                   8.235(7)
_cell_volume                     363.7(8)
_diffrn_ambient_temperature      573
_cod_data_source_file            tridymite-OC-573K.cif
_cod_data_source_block           tridymite-OC-573K
_cod_depositor_comments
;I added measured temperature tag as there is a series of data with
 different temperature.
;
_cod_original_formula_sum        'Si O2'
_cod_database_code               8104535
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 493 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:

data_8104536
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature: A study
 based on second-order thermal-vibrational parameters : structure at 493 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_chemical_formula_sum            'O2 Si'
_chemical_name_common            tridymite
_chemical_name_mineral           'tridymite OC at 493 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.756(8)
_cell_length_b                   5.024(3)
_cell_length_c                   8.213(4)
_cell_volume                     361.3(4)
_diffrn_ambient_temperature      493
_cod_data_source_file            tridymite-OC-493K.cif
_cod_data_source_block           tridymite-OC-493K
_cod_original_formula_sum        'Si O2'
_cod_database_code               8104536
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 653 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:

data_8104537
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature: A study
 based on second-order thermal-vibrational parameters : structure at 653 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_chemical_formula_sum            'O2 Si'
_chemical_name_common            tridymite
_chemical_name_mineral           'tridymite OC at 653 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.743(7)
_cell_length_b                   5.046(4)
_cell_length_c                   8.254(5)
_cell_volume                     364.1(5)
_diffrn_ambient_temperature      653
_cod_data_source_file            tridymite-OC-653K.cif
_cod_data_source_block           tridymite-OC-653K
_cod_original_formula_sum        'Si O2'
_cod_database_code               8104537
Structural change of orthorhombic-I tridymite with temperature: A study based on second-order thermal-vibrational parameters : structure at 693 K
Kihara, K.; Matsumoto, T.; Imamura, M.; Zeitschrift fur Kristallographie 177 (1986) 27–38; doi:

data_8104538
_publ_section_title
;
 Structural change of orthorhombic-I tridymite with temperature: A study
 based on second-order thermal-vibrational parameters : structure at 693 K
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              27
_journal_page_last               38
_journal_volume                  177
_journal_year                    1986
_chemical_formula_sum            'O2 Si'
_chemical_name_common            tridymite
_chemical_name_mineral           'tridymite OC at 693 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.742(8)
_cell_length_b                   5.047(4)
_cell_length_c                   8.262(5)
_cell_volume                     364.5(5)
_diffrn_ambient_temperature      693
_cod_data_source_file            tridymite-OC-693K.cif
_cod_data_source_block           tridymite-OC-693K
_cod_original_formula_sum        'Si O2'
_cod_database_code               8104538
Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 126 (2018) 743–749; doi:

data_1549990
_publ_section_title
;
 Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with
 fluorite-related structure : structure at 1473 K
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              743
_journal_page_last               749
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'O7 Sm3 Ta'
_chemical_name_common            'Sm3TaO7 at 1473 K'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6514(5)
_cell_length_b                   10.8663(7)
_cell_length_c                   7.5886(6)
_cell_volume                     630.93(8)
_diffrn_ambient_temperature      1473
_cod_data_source_file            Sm3TaO7-1473K.cif
_cod_data_source_block           Sm3TaO7-1473K
_cod_original_formula_sum        'Sm3 Ta1 O7'
_cod_database_code               1549990
Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1073 K
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 126 (2018) 743–749; doi:

data_1549991
_publ_section_title
;
 Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with
 fluorite-related structure : structure at 1073 K
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              743
_journal_page_last               749
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'O7 Sm3 Ta'
_chemical_name_common            'Sm3TaO7 at 1073 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7818(4)
_cell_length_b                   7.6197(3)
_cell_length_c                   7.6556(3)
_cell_volume                     628.94(4)
_diffrn_ambient_temperature      1073
_cod_data_source_file            Sm3TaO7-1073K.cif
_cod_data_source_block           Sm3TaO7-1073K
_cod_original_formula_sum        'Sm3 Ta1 O7'
_cod_database_code               1549991
Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 973 K
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 126 (2018) 743–749; doi:

data_1549992
_publ_section_title
;
 Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with
 fluorite-related structure : structure at 973 K
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              743
_journal_page_last               749
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'Eu0.6 Nb O7 Sm2.4'
_chemical_name_common            '(Sm0.8Eu0.2)3NbO7 at 973 K'
_space_group_IT_number           20
_space_group_name_H-M_alt        'C 2 2 21'
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7488(3)
_cell_length_b                   7.6036(2)
_cell_length_c                   7.6521(2)
_cell_volume                     625.40(3)
_diffrn_ambient_temperature      973
_cod_data_source_file            SmEu3NbO7-973K.cif
_cod_data_source_block           SmEu3NbO7-973K
_cod_original_formula_sum        'Sm2.4 Eu0.6 Nb1 O7'
_cod_database_code               1549992
Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with fluorite-related structure : structure at 1473 K
Hinatsu, Y.; Doi, Y.; Journal of the Ceramic Society of Japan 126 (2018) 743–749; doi:

data_1549993
_publ_section_title
;
 Phase transitions of Sm3NbO7, (Sm1-xLnx)3NbO7 (Ln=Nd,Eu) and Sm3TaO7 with
 fluorite-related structure : structure at 1473 K
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              743
_journal_page_last               749
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'Eu0.6 Nb O7 Sm2.4'
_chemical_name_common            '(Sm0.8Eu0.2)NbO7 at 1473 K'
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6451(2)
_cell_length_b                   10.8612(4)
_cell_length_c                   7.5613(3)
_cell_volume                     627.85(4)
_diffrn_ambient_temperature      1473
_cod_data_source_file            SmEu3NbO7-1473K.cif
_cod_data_source_block           SmEu3NbO7-1473K
_cod_original_formula_sum        'Sm2.4 Eu0.6 Nb1 O7'
_cod_database_code               1549993
Pr/Ba cation-disordered perovskite Pr2/3Ba1/3CoO3-d as a new bifunctional electrocatalyst for oxygen reduction and oxygen evolution reactions
Zhang, W.; Shiraiwa, M.; Wang, N.; Ma, T.; Fujii, K.; Niwa, E.; Yashima, M.; Journal of the Ceramic Society of Japan 126 (2018) 814–819; doi:

data_1549994
_publ_section_title
;
 Pr/Ba cation-disordered perovskite Pr2/3Ba1/3CoO3-d as a new bifunctional
 electrocatalyst for oxygen reduction and oxygen evolution reactions
;
_journal_name_full               'Journal of the Ceramic Society of Japan'
_journal_page_first              814
_journal_page_last               819
_journal_volume                  126
_journal_year                    2018
_chemical_formula_sum            'Ba0.333 Co O2.98 Pr0.667'
_chemical_name_common            Pr2/3Ba1/3CoO2.98
_space_group_IT_number           62
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.443765(9)
_cell_length_b                   7.693164(9)
_cell_length_c                   5.452008(7)
_cell_volume                     228.3289(5)
_cod_data_source_file            PrBaCoO3.cif
_cod_data_source_block           PrBaCoO3
_cod_original_formula_sum        'Pr0.667 Ba0.333 Co1 O2.98'
_cod_database_code               1549994