LMucko/crystallography-open-database huggingface dataset:
Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data
Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio; Journal of Materials Chemistry 2 (1992) 501–505; doi:10.1039/JM9920200501

data_7229074
_publ_section_title
;
 Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight
 neutron powder diffraction data
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              501
_journal_page_last               505
_journal_paper_doi               10.1039/JM9920200501
_journal_volume                  2
_journal_year                    1992
_chemical_formula_sum            'D2 Mn O5 P'
_chemical_formula_weight         169.937
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 112.372(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.7101(3)
_cell_length_b                   7.3152(3)
_cell_length_c                   7.1746(3)
_cell_volume                     325.66(2)
_diffrn_ambient_temperature      4
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           time-of-flight
_exptl_crystal_density_diffrn    3.466
_pd_proc_ls_prof_R_factor        0.026
_pd_proc_ls_prof_wR_factor       0.027
_cod_data_source_file            J-mater-Chem-1992-2-501-505-1.cif
_cod_data_source_block           MnPO4-D2O
_cod_original_cell_volume        325.66(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7229074
Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight neutron powder diffraction data
Miguel A. G. Aranda; J. Paul Attfield; Sebastian Bruque; Fernando Palacio; Journal of Materials Chemistry 2 (1992) 501–505; doi:10.1039/JM9920200501

data_7229075
_publ_section_title
;
 Magnetic structures of MnPO4.D2O and MnAsO4.D2O from time-of-flight
 neutron powder diffraction data
;
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              501
_journal_page_last               505
_journal_paper_doi               10.1039/JM9920200501
_journal_volume                  2
_journal_year                    1992
_chemical_formula_sum            'As D2 Mn O5'
_chemical_formula_weight         213.885
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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                 112.221(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   6.8707(3)
_cell_length_b                   7.6958(3)
_cell_length_c                   7.3121(3)
_cell_volume                     357.92(3)
_diffrn_ambient_temperature      4
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           time-of-flight
_exptl_crystal_density_diffrn    3.969
_pd_proc_ls_prof_R_factor        0.026
_pd_proc_ls_prof_wR_factor       0.023
_cod_data_source_file            J-mater-Chem-1992-2-501-505-2.cif
_cod_data_source_block           MnAsO4-D2O
_cod_original_cell_volume        357.91(3)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7229075
Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species.
Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi; Journal of natural products 80 (2017) 2215–2223; doi:10.1021/acs.jnatprod.7b00066

data_1546958
_publ_section_title
;
 Antifungal and Cytotoxic \b-Resorcylic Acid Lactones from a Paecilomyces
 Species.
;
_journal_issue                   8
_journal_name_full               'Journal of natural products'
_journal_page_first              2215
_journal_page_last               2223
_journal_paper_doi               10.1021/acs.jnatprod.7b00066
_journal_volume                  80
_journal_year                    2017
_chemical_formula_sum            'C18 H16 O5'
_chemical_formula_weight         312.310
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_date             16-07-21
_audit_creation_method           'Created with Diamond (www.crystalimpact.com)'
_audit_update_record             16-07-21
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            1
_cell_length_a                   5.0880(1)
_cell_length_b                   11.9460(2)
_cell_length_c                   23.4043(3)
_cell_volume                     1422.54(4)
_refine_ls_R_factor_all          0.037
_cod_data_source_file            np7b00066_si_002.cif
_cod_data_source_block           dechloropochonin_I
_cod_original_cell_volume        1422.5(0)
_cod_original_formula_units_Z    4
_cod_database_code               1546958
Strontium-Coordination Polymers based on Tetrafluorophthalic and Phthalic acids: Mechanochemical Synthesis, ab initio Structures Determination, and Spectroscopic Characterization.
Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Emmerling, Franziska; Kemnitz, Erhard; Dalton Trans.  (2017) –; doi:10.1039/C7DT02564E

data_7044142
_publ_section_title
;
 Strontium-Coordination Polymers based on Tetrafluorophthalic and Phthalic
 acids: Mechanochemical Synthesis, ab initio Structures Determination, and
 Spectroscopic Characterization.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02564E
_journal_year                    2017
_chemical_compound_source        'Mechanochemical synthesis'
_chemical_formula_moiety         'C8 F4 O6 Sr'
_chemical_formula_sum            'C8 F4 O6 Sr'
_chemical_formula_weight         355.70
_chemical_name_common            'Sr Tetrafluorophthalate dihydrate'
_chemical_name_mineral           'Sr Tetrafluorophthalate dihydrate'
_chemical_name_systematic        'Sr Tetrafluorophthalate dihydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2017-07-14 deposited with the CCDC.
2017-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 133.1976(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.1012(5)
_cell_length_b                   26.3989(16)
_cell_length_c                   6.9887(4)
_cell_measurement_temperature    293
_cell_volume                     1089.58(12)
_computing_cell_refinement       'TOPAS Academic (Coelho, 2007)'
_computing_data_reduction        'DASH (David <i>et al.</i>, 2006)'
_computing_molecular_graphics    'Diamond (Crystal Impact GbR,2014)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'TOPAS Academic (Coelho, 2007)'
_computing_structure_solution    'DASH (David <i>et al.</i>, 2006)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'D8 Discover Bruker'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_exptl_absorpt_coefficient_mu    7.722
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.168
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       powder
_exptl_crystal_F_000             680
_pd_meas_2theta_range_max        65
_pd_meas_2theta_range_min        5.2
_pd_proc_2theta_range_inc        0.009
_pd_proc_info_excluded_regions   none
_pd_proc_ls_prof_wR_factor       2.99
_pd_spec_mounting                '0.5 mm glass capillary'
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   3.64
_refine_ls_R_I_factor            1.558
_cod_data_source_file            c7dt02564e2.cif
_cod_data_source_block           Sr8IoF_P21c
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7044142
Strontium-Coordination Polymers based on Tetrafluorophthalic and Phthalic acids: Mechanochemical Synthesis, ab initio Structures Determination, and Spectroscopic Characterization.
Al-Terkawi, Abdal-Azim; Scholz, Gudrun; Emmerling, Franziska; Kemnitz, Erhard; Dalton Trans.  (2017) –; doi:10.1039/C7DT02564E

data_7044143
_publ_section_title
;
 Strontium-Coordination Polymers based on Tetrafluorophthalic and Phthalic
 acids: Mechanochemical Synthesis, ab initio Structures Determination, and
 Spectroscopic Characterization.
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT02564E
_journal_year                    2017
_chemical_compound_source        'Mechanochemical synthesis'
_chemical_formula_moiety         'C8 H4 O6 Sr, O'
_chemical_formula_sum            'C8 H4 O7 Sr'
_chemical_formula_weight         299.73
_chemical_name_common            'Sr Phthalate Trihydrate'
_chemical_name_mineral           'Sr Phthalate trihydrate'
_chemical_name_systematic        'Sr Phthalate Trihydrate'
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_update_record
;
2017-07-14 deposited with the CCDC.
2017-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 86.2579(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.61241(18)
_cell_length_b                   14.33484(15)
_cell_length_c                   5.93056(6)
_cell_measurement_temperature    293
_cell_volume                     1069.94(2)
_computing_cell_refinement       'TOPAS Academic (Coelho, 2007)'
_computing_data_reduction        'DASH (David <i>et al.</i>, 2006)'
_computing_molecular_graphics    'Diamond (Crystal Impact GbR,2014)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'TOPAS Academic (Coelho, 2007)'
_computing_structure_solution    'DASH (David <i>et al.</i>, 2006)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device_type  'D8 Discover Bruker'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_exptl_absorpt_coefficient_mu    7.078
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.861
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       powder
_exptl_crystal_F_000             584
_pd_meas_2theta_range_max        50.87
_pd_meas_2theta_range_min        5.5
_pd_proc_2theta_range_inc        0.009
_pd_proc_info_excluded_regions   none
_pd_proc_ls_prof_wR_factor       3.76
_pd_spec_mounting                '0.5 mm glass capillary'
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   2.97
_refine_ls_R_I_factor            2.302
_cod_data_source_file            c7dt02564e2.cif
_cod_data_source_block           SrP21c
_cod_original_sg_symbol_H-M      P121/c1
_cod_database_code               7044143
Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data
Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer; CrystEngComm  (2017) –; doi:10.1039/C7CE01389B

data_7229089
_publ_section_title
;
 Ab initio structure solution and thermal stability evaluation of a new
 Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction
 data
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01389B
_journal_year                    2017
_chemical_formula_moiety         'C16 H12 Ca O6, 1(H2 O)'
_chemical_formula_sum            'C16 H14 Ca O7'
_chemical_formula_weight         358.36
_chemical_name_systematic
;
poly[[aquacalcium(II)]-\m-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato)]
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2017-09-06 deposited with the CCDC.
2017-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.113(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.4632(17)
_cell_length_b                   9.9876(7)
_cell_length_c                   6.6405(5)
_cell_measurement_temperature    364
_cell_volume                     1620.1(2)
_diffrn_ambient_temperature      364
_diffrn_detector                 'pixel area detector'
_diffrn_detector_type            'Pilatus 2M'
_diffrn_measurement_device_type  Huber
_diffrn_radiation_monochromator  Si
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69540
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF, SNBL (BM01)'
_exptl_crystal_recrystallization_method hydrothermal
_pd_char_colour                  white
_pd_instr_location
; 
European Synchrotron Radiation Facility
71, avenue des Martyrs
38043 Grenoble Cedex 9
France
;
_pd_meas_2theta_range_max        29.4
_pd_meas_2theta_range_min        0.6
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.001
_pd_proc_2theta_range_max        26.8
_pd_proc_2theta_range_min        2.5
_pd_proc_ls_prof_R_factor        3.705
_pd_proc_ls_prof_wR_expected     0.110
_pd_proc_ls_prof_wR_factor       5.422
_pd_proc_wavelength              0.69540
_pd_spec_mounting
; 
packed in 0.5mm quartz capillary
;
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   49.33
_refine_ls_R_I_factor            4.241
_refine_ls_shift/su_max          0.022
_cod_data_source_file            c7ce01389b2.cif
_cod_data_source_block           CPO-70-Ca_NP
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7229089
Ab initio structure solution and thermal stability evaluation of a new Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction data
Lundvall, Fredrik; Wragg, David; Vajeeston, Pooniah; Dietzel, Pascal D. C.; Fjellvåg, Helmer; CrystEngComm  (2017) –; doi:10.1039/C7CE01389B

data_7229090
_publ_section_title
;
 Ab initio structure solution and thermal stability evaluation of a new
 Ca(II) 3D coordination polymer using synchrotron powder X-ray diffraction
 data
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/C7CE01389B
_journal_year                    2017
_chemical_formula_moiety         'C16 H12 Ca O6, 2(H2 O)'
_chemical_formula_sum            'C16 H16 Ca O8'
_chemical_formula_weight         376.37
_chemical_name_common            'CPO-70-Ca (AS)'
_chemical_name_systematic
'poly[[aquacalcium(II)]-\m-~3~-(4,4?-dimethoxy-3,3?-biphenyldicarboxylato) aqua monosolvate]'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_update_record
;
2017-07-20 deposited with the CCDC.
2017-09-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.482(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.0265(15)
_cell_length_b                   10.0028(6)
_cell_length_c                   6.6715(3)
_cell_measurement_temperature    294
_cell_volume                     1665.00(16)
_diffrn_ambient_temperature      294
_diffrn_detector                 'pixel area detector'
_diffrn_detector_type            'Pilatus 2M'
_diffrn_measurement_device_type  Huber
_diffrn_radiation_monochromator  Si
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.69540
_diffrn_source                   synchrotron
_diffrn_source_type              'ESRF, SNBL (BM01)'
_exptl_crystal_colour            white
_exptl_crystal_recrystallization_method 'solvothermal synthesis'
_pd_char_colour                  white
_pd_instr_location
; 
European Synchrotron Radiation Facility
71, avenue des Martyrs
38043 Grenoble Cedex 9
France
;
_pd_meas_2theta_range_max        29.4
_pd_meas_2theta_range_min        0.6
_pd_meas_scan_method             fixed
_pd_proc_2theta_range_inc        0.001
_pd_proc_2theta_range_max        26.8
_pd_proc_2theta_range_min        2.5
_pd_proc_ls_prof_R_factor        3.682
_pd_proc_ls_prof_wR_expected     0.109
_pd_proc_ls_prof_wR_factor       5.166
_pd_proc_wavelength              0.69540
_pd_spec_mounting
; 
packed in 0.5mm quartz capillary
;
_pd_spec_mount_mode              transmission
_refine_ls_goodness_of_fit_all   47.57
_refine_ls_R_I_factor            4.468
_refine_ls_shift/su_max          0.060
_cod_data_source_file            c7ce01389b2.cif
_cod_data_source_block           CPO-70-Ca_AS
_cod_original_cell_volume        1665.01(15)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7229090
Correlations conductivite protonique-structures dans le difluorure et le pentafluoroantimonate III d hydrazinium: structure cristalline de N2H6SbF5
Barbes, H.; Mascherpa, G.; Fourcade, R.; Ducourant, B.; Journal of Solid State Chemistry 60 (1985) 95–100; doi:

data_1547143
_publ_section_title
;
 Correlations conductivite protonique-structures dans le difluorure et le
 pentafluoroantimonate III d hydrazinium: structure cristalline de
 N2H6SbF5
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              95
_journal_page_last               100
_journal_volume                  60
_journal_year                    1985
_chemical_formula_sum            'F5 H6 N2 Sb'
_chemical_formula_weight         250.75
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.627(2)
_cell_length_b                   7.034(2)
_cell_length_c                   12.855(4)
_cell_volume                     508.8(3)
_diffrn_ambient_temperature      223
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    5.40
_exptl_crystal_density_diffrn    3.205
_refine_ls_number_reflns         676
_refine_ls_R_factor_gt           0.047
_cod_data_source_file            JSSC-1985-60-95-100.cif
_cod_data_source_block           N2H6SbF5
_cod_original_formula_sum        'H6 F5 N2 Sb'
_cod_database_code               1547143
Crystal structure of BaGd2NiO5 prepared by reaction of Ni metal with BaCO3 and Gd2O3
Amador, J.; Gutierrez Puebla, E.; Monge, M. A.; Rasines, I.; Campa, J. A.; Gomez, J. M.; Gomez de Salazar, J. M.; Ruiz Valero, C.; Solid State Ionics  (1989) 123–125; doi:

data_1547144
_publ_section_title
;
 Crystal structure of BaGd2NiO5 prepared by reaction of Ni metal with
 BaCO3 and Gd2O3
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              123
_journal_page_last               125
_journal_volume                  32-33
_journal_year                    1989
_chemical_formula_sum            'Ba Gd2 Ni O5'
_chemical_formula_weight         590.517
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   3.7872(4)
_cell_length_b                   5.8388(9)
_cell_length_c                   11.498(1)
_cell_volume                     254.25(5)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    37.16
_exptl_crystal_density_diffrn    7.71
_exptl_crystal_F_000             504
_refine_ls_number_reflns         223
_refine_ls_R_factor_gt           0.019
_refine_ls_wR_factor_gt          0.021
_cod_data_source_file            Solid-State-Ionics-1989-32-123-125.cif
_cod_data_source_block           BaGd2NiO5
_cod_original_cell_volume        254.25(10)
_cod_database_code               1547144
Crystal structure and photoluminescent property of Eu3±doped K3GdSi2O7
Nunotani, N.; Asakawa, Y.; Watanabe, M.; Imanaka, N.; Journal of Asian Ceramic Societies 380 (2017) 5–377; doi:

data_1547145
_publ_section_title
;
 Crystal structure and photoluminescent property of Eu3+-doped K3GdSi2O7
;
_journal_name_full               'Journal of Asian Ceramic Societies'
_journal_page_first              5
_journal_page_last               377
_journal_volume                  380
_journal_year                    2017
_chemical_formula_sum            'Gd2 K3 O7 Si'
_chemical_name_common            K3GdSi2O7
_space_group_IT_number           193
_space_group_name_H-M_alt        'P 63/m c m'
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   9.961(1)
_cell_length_b                   9.961(1)
_cell_length_c                   14.432(1)
_cell_volume                     1240.1(2)
_cod_data_source_file            K3GdSi2O7.cif
_cod_data_source_block           K3GdSi2O7
_cod_original_formula_sum        'K3 Gd2 Si O7'
_cod_database_code               1547145
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_1547146
_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 Nb0.5 Ni0.05 O2 Ti0.25'
_chemical_name_common            Ni0.05Co0.2Ti0.25Nb0.5O2
_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                   4.70240(2)
_cell_length_b                   4.70240(2)
_cell_length_c                   3.03052(1)
_cell_volume                     67.0126(5)
_cod_data_source_file            Ni0.2Co0.8TiNb2O8.cif
_cod_data_source_block           Ni0.2Co0.8TiNb2O8
_cod_original_formula_sum        'Ni0.05 Co0.2 Ti0.25 Nb0.5 O2'
_cod_database_code               1547146