LMucko/crystallography-open-database huggingface dataset:
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547147
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.15 Nb0.5 Ni0.1 O2 Ti0.25'
_chemical_name_common            Ni0.1Co0.15Ti0.25Nb0.5O2
_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                   4.70025(2)
_cell_length_b                   4.70025(2)
_cell_length_c                   3.02805(2)
_cell_volume                     66.8967(6)
_cod_data_source_file            Ni0.4Co0.6TiNb2O8.cif
_cod_data_source_block           Ni0.4Co0.6TiNb2O8
_cod_original_formula_sum        'Ni0.1 Co0.15 Ti0.25 Nb0.5 O2'
_cod_database_code               1547147
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547148
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.05 Nb0.5 Ni0.2 O2 Ti0.25'
_chemical_name_common            Ni0.2Co0.05Ti0.25Nb0.5O2
_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                   4.69708(2)
_cell_length_b                   4.69708(2)
_cell_length_c                   3.02426(2)
_cell_volume                     66.7229(6)
_cod_data_source_file            Ni0.8Co0.2TiNb2O8.cif
_cod_data_source_block           Ni0.8Co0.2TiNb2O8
_cod_original_formula_sum        'Ni0.2 Co0.05 Ti0.25 Nb0.5 O2'
_cod_database_code               1547148
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547149
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.1 Nb0.5 Ni0.15 O2 Ti0.25'
_chemical_name_common            Ni0.15Co0.1Ti0.25Nb0.5O2
_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                   4.69859(2)
_cell_length_b                   4.69859(2)
_cell_length_c                   3.02607(1)
_cell_volume                     66.8058(5)
_cod_data_source_file            Ni0.6Co0.4TiNb2O8.cif
_cod_data_source_block           Ni0.6Co0.4TiNb2O8
_cod_original_formula_sum        'Ni0.15 Co0.1 Ti0.25 Nb0.5 O2'
_cod_database_code               1547149
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547150
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Nb0.5 Ni0.25 O2 Ti0.25'
_chemical_name_common            Ni0.25Ti0.25Nb0.5O2
_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                   4.69413(2)
_cell_length_b                   4.69413(2)
_cell_length_c                   3.02187(1)
_cell_volume                     66.5865(5)
_cod_data_source_file            NiTiNb2O8.cif
_cod_data_source_block           NiTiNb2O8
_cod_original_formula_sum        'Ni0.25 Ti0.25 Nb0.5 O2'
_cod_database_code               1547150
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547151
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.25 Nb O2 Ti0.25'
_chemical_name_common            Co0.25Ti0.25Nb0.5O2
_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                   4.70411(2)
_cell_length_b                   4.70411(2)
_cell_length_c                   3.03242(1)
_cell_volume                     67.1034(5)
_cod_data_source_file            CoTiNb2O8.cif
_cod_data_source_block           CoTiNb2O8
_cod_original_formula_sum        'Co0.25 Ti0.25 Nb O2'
_cod_database_code               1547151
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547153
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.2 Ni0.05 O2 Ta0.5 Ti0.25'
_chemical_name_common            Ni0.05Co0.2Ti0.25Ta0.5O2
_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                   4.7024(2)
_cell_length_b                   4.7024(2)
_cell_length_c                   9.1061(4)
_cell_volume                     201.359(15)
_cod_data_source_file            Ni0.2Co0.8TiTa2O8.cif
_cod_data_source_block           Ni0.2Co0.8TiTa2O8
_cod_original_formula_sum        'Ni0.05 Co0.2 Ti0.25 Ta0.5 O2'
_cod_database_code               1547153
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547154
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.25 O2 Ta0.5 Ti0.25'
_chemical_name_common            Co0.25Ti0.25Ta0.5O2
_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                   4.7065(2)
_cell_length_b                   4.7065(2)
_cell_length_c                   9.1164(4)
_cell_volume                     201.939(15)
_cod_data_source_file            CoTiTa2O8.cif
_cod_data_source_block           CoTiTa2O8
_cod_original_formula_sum        'Co0.25 Ti0.25 Ta0.5 O2'
_cod_database_code               1547154
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547155
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.15 Ni0.1 O2 Ta0.5 Ti0.25'
_chemical_name_common            Ni0.1Co0.15Ti0.25Ta0.5O2
_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                   4.6998(3)
_cell_length_b                   4.6998(3)
_cell_length_c                   9.0986(3)
_cell_volume                     200.971(19)
_cod_data_source_file            Ni0.4Co0.6TiTa2O8.cif
_cod_data_source_block           Ni0.4Co0.6TiTa2O8
_cod_original_formula_sum        'Ni0.1 Co0.15 Ti0.25 Ta0.5 O2'
_cod_database_code               1547155
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547156
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.1 Ni0.15 O2 Ta0.5 Ti0.25'
_chemical_name_common            Ni0.15Co0.1Ti0.25Ta0.5O2
_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                   4.6989(3)
_cell_length_b                   4.6989(3)
_cell_length_c                   9.0940(4)
_cell_volume                     200.79(2)
_cod_data_source_file            Ni0.6Co0.4TiTa2O8.cif
_cod_data_source_block           Ni0.6Co0.4TiTa2O8
_cod_original_formula_sum        'Ni0.15 Co0.1 Ti0.25 Ta0.5 O2'
_cod_database_code               1547156
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547157
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Co0.05 Ni0.2 O2 Ta0.5 Ti0.25'
_chemical_name_common            Ni0.2Co0.05Ti0.25Ta0.5O2
_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                   4.6973(2)
_cell_length_b                   4.6973(2)
_cell_length_c                   9.0891(4)
_cell_volume                     200.548(15)
_cod_data_source_file            Ni0.8Co0.2TiTa2O8.cif
_cod_data_source_block           Ni0.8Co0.2TiTa2O8
_cod_original_formula_sum        'Ni0.2 Co0.05 Ti0.25 Ta0.5 O2'
_cod_database_code               1547157
Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8 (0<=x<=1,0<=y<=1) and its optical property
Kumada, N.; Koike, N.; Nakanome, K.; Yanagida, S.; Takei, T.; Miura, A.; Magome, E.; Moriyoshi, C.; Kuroiwa, Y.; Journal of Asian Ceramic Societies 289 (2017) 5–284; doi:

data_1547158
_publ_section_title
;
 Synthesis of rutile-type solid solution Ni1-xCoxTi(Nb1-yTay)2O8
 (0<=x<=1,0<=y<=1) and its optical property
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               284
_journal_volume                  289
_journal_year                    2017
_chemical_formula_sum            'Ni0.25 O2 Ta0.5 Ti0.25'
_chemical_name_common            Ni0.25Ti0.25Ta0.5O2
_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                   4.6946(2)
_cell_length_b                   4.6946(2)
_cell_length_c                   9.0829(3)
_cell_volume                     200.180(14)
_cod_data_source_file            NiTiTa2O8.cif
_cod_data_source_block           NiTiTa2O8
_cod_original_formula_sum        'Ni0.25 Ti0.25 Ta0.5 O2'
_cod_database_code               1547158
Solvent orientation in the crystal lattice producing distinct magnetic dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff base ligand
Jiang, Zhijie; Sun, Lin; Yang, Qi; Wei, Shilong; Ke, Hongshan; Chen, Sanping; Zhang, Yiquan; Wei, Qing; Xie, Gang; CrystEngComm  (2017) –; doi:10.1039/C7CE01269A

data_7229172
_publ_section_title
;
 Solvent orientation in the crystal lattice producing distinct magnetic
 dynamics in two binuclear Dy(iii) polymorphs with a polydentate Schiff
 base ligand
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01269A
_journal_year                    2017
_chemical_formula_sum            'C56 H52 Cl10 Dy2 N8 O6'
_chemical_formula_weight         1612.560
_space_group_IT_number           14
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_date             17-04-09
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_update_record
;
2017-04-11 deposited with the CCDC.
2017-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90.000
_cell_angle_beta                 119.797(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   12.8652(16)
_cell_length_b                   13.2912(18)
_cell_length_c                   21.1257(18)
_cell_volume                     3134.8(7)
_refine_ls_R_factor_all          0.068
_cod_data_source_file            c7ce01269a2.cif
_cod_data_source_block           xb0152_0m
_cod_original_cell_volume        3134.8(6)
_cod_original_sg_symbol_Hall     -P_2ybc
_cod_database_code               7229172
Synthesis, crystal structure and larvicidal activity of novel diamide derivatives against Culex pipiens
Rui Wu; Cong Zhu; Xiu-Jiang Du; Li-Xia Xiong; Shu-Jing Yu; Xing-Hai Liu; Zheng-Ming Li; Wei-Guang Zhao; Chemistry Central Journal 6 (2012) 99–; doi:10.1186/1752-153X-6-99

data_1547261
_publ_section_title
;
 Synthesis, crystal structure and larvicidal activity of novel diamide
 derivatives against Culex pipiens
;
_journal_name_full               'Chemistry Central Journal'
_journal_page_first              99
_journal_paper_doi               10.1186/1752-153X-6-99
_journal_volume                  6
_journal_year                    2012
_chemical_formula_sum            'C20 H23 Cl N2 O2'
_chemical_formula_weight         358.85
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                70.49(3)
_cell_angle_beta                 73.27(3)
_cell_angle_gamma                64.00(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4583(19)
_cell_length_b                   10.494(2)
_cell_length_c                   11.545(2)
_cell_volume                     957.2(4)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    0.214
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_F_000             380
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_number_parameters     237
_refine_ls_number_reflns         4491
_refine_ls_R_factor_all          0.1115
_refine_ls_R_factor_gt           0.0476
_refine_ls_wR_factor_gt          0.0971
_refine_ls_wR_factor_ref         0.1174
_cod_data_source_file            Chemistry-Central-Journal-2012-6-99.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_journal_paper_doi' value 'https://doi.org/10.1186/1752-153X-6-99'
was changed to '10.1186/1752-153X-6-99'.

Automatic conversion script
Id: cif_fix_values 6433 2018-09-21 13:16:33Z andrius 
;
_cod_original_cell_volume        957.2(3)
_cod_database_code               1547261
Structural and Electronic Flexibility in Hydrides of Zintl Phases with Tetrel-Hydrogen and Tetrel-Tetrel Bonds
Auer, Henry; Schlegel, Robert; Oeckler, Oliver; Kohlmann, Holger; Angewandte Chemie International Edition 56 (2017) 12344–12347; doi:10.1002/anie.201706523

data_1547274
_publ_section_title
;
 Structural and Electronic Flexibility in Hydrides of Zintl Phases with
 Tetrel-Hydrogen and Tetrel-Tetrel Bonds
;
_journal_issue                   40
_journal_name_full               'Angewandte Chemie International Edition'
_journal_page_first              12344
_journal_page_last               12347
_journal_paper_doi               10.1002/anie.201706523
_journal_volume                  56
_journal_year                    2017
_chemical_formula_sum            'Ba D1.56 Ge'
_chemical_formula_weight         213.02
_chemical_name_systematic        ' ?'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_symmetry_cell_setting           orthorhombic
_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            24
_cell_length_a                   15.804(3)
_cell_length_b                   4.2293(6)
_cell_length_c                   25.855(4)
_cell_measurement_reflns_used    1225
_cell_measurement_temperature    295
_cell_measurement_theta_max      140.45903
_cell_measurement_theta_min      7.64237
_cell_volume                     1728.1(5)
_computing_structure_refinement  'TOPAS 5'
_diffrn_ambient_temperature      295
_diffrn_measurement_device_type  'BERII E9 neutron powder diffractometer'
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.797250
_diffrn_source                   'nuclear reactor'
_diffrn_source_type              'constant wavelength neutron diffractometer'
_pd_char_colour                  grey
_pd_instr_location
' 'E9 diffractometer, BERII, Berlin, Germany''
_pd_proc_ls_prof_R_factor        5.15
_pd_proc_ls_prof_wR_expected     3.32
_pd_proc_ls_prof_wR_factor       6.71
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   2.14
_refine_ls_R_I_factor            3.03
_refine_ls_shift/su_max          0.001
_cod_data_source_file            BaGeDx_COD-deposit.cif
_cod_data_source_block           BaGeDx
_cod_original_formula_sum        'Ba1 D1.56 Ge1'
_cod_database_code               1547274