LMucko/crystallography-open-database huggingface dataset:
A Gel Aging Effect in the Synthesis of Open-Framework Gallium Phosphates: Structure Solution and Solid-State NMR of a Large-Pore, Open-Framework Material
Broom, Lucy; Clarkson, Guy J.; Guillou, Nathalie; Hooper, Joseph; Dawson, Daniel; Tang, Chiu; Ashbrook, Sharon Elizabeth; Walton, Richard I.; Dalton Transactions  (2017) –; doi:10.1039/C7DT03709K

data_7044780
_publ_section_title
;
 A Gel Aging Effect in the Synthesis of Open-Framework Gallium Phosphates:
 Structure Solution and Solid-State NMR of a Large-Pore, Open-Framework
 Material
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/C7DT03709K
_journal_year                    2017
_chemical_formula_moiety         'F3 (OH)2 (H2O)2 Ga7 O24 P6, 2(C5 H6 N)'
_chemical_formula_sum            'C10 H18 F3 Ga7 N2 O28 P6'
_chemical_formula_weight         1345.1
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2017-10-03 deposited with the CCDC.
2017-11-15 downloaded from the CCDC.
;
_cell_angle_alpha                104.65314(40)
_cell_angle_beta                 100.81105(60)
_cell_angle_gamma                102.52279(62)
_cell_formula_units_Z            2
_cell_length_a                   10.226818(63)
_cell_length_b                   12.095846(71)
_cell_length_c                   13.867132(81)
_cell_measurement_temperature    293
_cell_volume                     1565.838(18)
_computing_structure_refinement  TOPAS
_computing_structure_solution    TOPAS
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  'I11 diffractometer Diamond Light Source'
_diffrn_radiation_monochromator  'Si(111) double monochromator'
_diffrn_radiation_type           'X-ray synchrotron'
_diffrn_radiation_wavelength     0.825781
_diffrn_source                   Synchrotron
_exptl_crystal_colour            colourless
_pd_meas_2theta_range_inc        0.001
_pd_meas_2theta_range_max        149.999
_pd_meas_2theta_range_min        1.000
_pd_proc_2theta_range_inc        0.002
_pd_proc_2theta_range_max        60.000
_pd_proc_2theta_range_min        3.000
_pd_proc_ls_background_function
'Chebychev polynomial and one additional peak'
_pd_proc_ls_profile_function     'spherical harmonics series'
_pd_proc_ls_prof_R_factor        0.088
_pd_proc_ls_prof_wR_factor       0.116
_pd_spec_mounting                'glass capillary'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_ls_goodness_of_fit_all   3.03
_refine_ls_number_reflns         5951
_refine_ls_number_restraints     60
_refine_ls_R_I_factor            0.036
_cod_data_source_file            c7dt03709k2.cif
_cod_data_source_block           GaPO-34A(pyr)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7044780
_refine_ls_number_structural_parameters 150
_refine_ls_number_profile_parameters 46
Synthese et caracterisation de materiaux hybrides fluores poreux pour le stockage de gaz
Sandy Auguste; Master Science et Technologie Report- Le Mans  (2009) 1–; doi:

data_1548063
_publ_section_title
;
 Synthese et caracterisation de materiaux hybrides fluores poreux pour le
 stockage de gaz
;
_journal_name_full
'Master Science et Technologie Report- Le Mans'
_journal_page_first              1
_journal_year                    2009
_chemical_formula_sum            'C4 H12 Al Cu3 F7 N20 O2'
_chemical_formula_weight         722.97
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            4
_cell_length_a                   9.1470(2)
_cell_length_b                   8.32715(20)
_cell_length_c                   27.0121(5)
_cell_measurement_temperature    293
_cell_volume                     2057.47(8)
_computing_structure_refinement  FULLPROF
_computing_structure_solution    ESPOIR
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    3.235
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_F_000             1420
_pd_meas_2theta_range_inc        0.017000
_pd_meas_2theta_range_max        71.80000
_pd_meas_2theta_range_min        6.00000
_pd_meas_number_of_points        3872
_pd_proc_2theta_range_inc        0.017000
_pd_proc_2theta_range_max        71.8591
_pd_proc_2theta_range_min        6.0591
_pd_proc_ls_prof_R_factor        2.0320
_pd_proc_ls_prof_wR_expected     1.3054
_pd_proc_ls_prof_wR_factor       2.8898
_pd_proc_wavelength              1.540560
_refine_ls_number_parameters     92
_refine_ls_number_reflns         590
_refine_ls_number_restraints     23
_refine_ls_R_I_factor            4.2334
_cod_data_source_file            Auguste-Sandy.cif
_cod_data_source_block           SAMWO1
_cod_depositor_comments          'Formula correction'
_cod_original_cell_volume        2057.46(8)
_cod_original_formula_sum        ' H12 Al Cu3 F7 N20 O, O'
_cod_database_code               1548063
_pd_proc_ls_prof_cr_factor       10.7266
_pd_proc_ls_prof_cwr_factor      8.7989
_pd_proc_ls_prof_cwr_expected    3.9748
_pd_proc_ls_prof_chi2            4.9004
_pd_proc_ls_prof_echi2           5.2032
Comprehensive Study of Oxygen Storage in YbFe2O4+x (x ≤ 0.5): Unprecedented Coexistence of FeOn Polyhedra in One Single Phase.
Nicoud, Sarah; Huvé, Marielle; Hernandez, Olivier; Pautrat, Alain; Duttine, Mathieu; Wattiaux, Alain; Colin, Claire; Kabbour, Houria; Mentré, Olivier; Journal of the American Chemical Society  (2017) –; doi:10.1021/jacs.7b06409

data_4126741
_publ_section_title
;
 Comprehensive Study of Oxygen Storage in YbFe2O4+x (x &#x2264; 0.5):
 Unprecedented Coexistence of FeOn Polyhedra in One Single Phase.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.7b06409
_journal_year                    2017
_chemical_formula_sum            'Fe2 O4.846 Yb'
_chemical_formula_weight         362.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           2
_space_group_ssg_name            P-1(\a\b\g)0
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   3.4659
_cell_length_b                   3.4659
_cell_length_c                   8.3694
_cell_measurement_temperature    293
_cell_modulation_dimension       1
_cell_volume                     87.068
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.28
_exptl_absorpt_coefficient_mu    0.033
_exptl_crystal_density_diffrn    6.909
_exptl_crystal_F_000             161
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.1
_pd_meas_2theta_range_max        128.670
_pd_meas_2theta_range_min        0.770
_pd_meas_number_of_points        1280
_pd_proc_2theta_range_inc        0.1
_pd_proc_2theta_range_max        125.07
_pd_proc_2theta_range_min        0.77
_pd_proc_ls_background_function  'Manual background'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0349
_pd_proc_ls_prof_wR_expected     0.0045
_pd_proc_ls_prof_wR_factor       0.0468
_refine_diff_density_max         1.13
_refine_diff_density_min         -1.04
_refine_ls_goodness_of_fit_all   10.53
_refine_ls_number_constraints    3
_refine_ls_number_parameters     44
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0390
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.0187
_refine_ls_shift/su_mean         0.0060
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0559
_refine_ls_wR_factor_gt          0.0558
_cod_data_source_file            ja7b06409_si_003.cif
_cod_data_source_block           I
_cod_original_cell_volume        87.06789
_cod_original_formula_sum        'Fe2 O4.846 Yb1'
_cod_database_code               4126741
Green synthesis of a new layered aluminium citraconate: crystal structures, intercalation behaviour towards H<sub>2</sub>O and in situ PXRD studies of its crystallisation.
Heidenreich, Niclas; Lieb, Alexandra; Stock, Norbert; Reinsch, Helge; Dalton transactions (Cambridge, England : 2003) 47 (2018) 215–223; doi:10.1039/c7dt04221c

data_7044853
_publ_section_title
;
 Green synthesis of a new layered aluminium citraconate: crystal
 structures, intercalation behaviour towards H<sub>2</sub>O and in situ
 PXRD studies of its crystallisation.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              215
_journal_page_last               223
_journal_paper_doi               10.1039/c7dt04221c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C8 Al2 O8.71'
_chemical_formula_weight         289.4
_chemical_name_mineral           'CAU-15 revised'
_chemical_name_systematic        'CAU-15 revised'
_space_group_IT_number           13
_space_group_name_Hall           '-P 2yc'
_space_group_name_H-M_alt        'P 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_audit_update_record
;
2017-11-07 deposited with the CCDC.
2017-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 128.9183(20)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.87202(14)
_cell_length_b                   10.24603(32)
_cell_length_c                   9.73888(21)
_cell_volume                     533.52(3)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'STOE Stadi P Cu Ka1'
_diffrn_radiation_wavelength     1.540598
_cod_data_source_file            c7dt04221c2.cif
_cod_data_source_block           structure
_cod_depositor_comments
'Adding full bibliography for 7044853--7044855.cif.'
_cod_original_cell_volume        533.522(27)
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7044853
Green synthesis of a new layered aluminium citraconate: crystal structures, intercalation behaviour towards H<sub>2</sub>O and in situ PXRD studies of its crystallisation.
Heidenreich, Niclas; Lieb, Alexandra; Stock, Norbert; Reinsch, Helge; Dalton transactions (Cambridge, England : 2003) 47 (2018) 215–223; doi:10.1039/c7dt04221c

data_7044854
_publ_section_title
;
 Green synthesis of a new layered aluminium citraconate: crystal
 structures, intercalation behaviour towards H<sub>2</sub>O and in situ
 PXRD studies of its crystallisation.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              215
_journal_page_last               223
_journal_paper_doi               10.1039/c7dt04221c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C10 Al4 O21.86'
_chemical_formula_weight         577.81
_chemical_name_mineral           'CAU-15-Cit Hydrated'
_chemical_name_systematic        'CAU-15-Cit Hydrated'
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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'
_audit_update_record
;
2017-11-07 deposited with the CCDC.
2017-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 85.0245(72)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.40744(83)
_cell_length_b                   23.0071(26)
_cell_length_c                   7.08914(38)
_cell_volume                     1203.6(2)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'STOE Stadi P Cu Ka1'
_diffrn_radiation_wavelength     1.540598
_cod_data_source_file            c7dt04221c2.cif
_cod_data_source_block           structure_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7044853--7044855.cif.'
_cod_original_cell_volume        1203.60(20)
_cod_original_sg_symbol_H-M      C2/C
_cod_database_code               7044854
Green synthesis of a new layered aluminium citraconate: crystal structures, intercalation behaviour towards H<sub>2</sub>O and in situ PXRD studies of its crystallisation.
Heidenreich, Niclas; Lieb, Alexandra; Stock, Norbert; Reinsch, Helge; Dalton transactions (Cambridge, England : 2003) 47 (2018) 215–223; doi:10.1039/c7dt04221c

data_7044855
_publ_section_title
;
 Green synthesis of a new layered aluminium citraconate: crystal
 structures, intercalation behaviour towards H<sub>2</sub>O and in situ
 PXRD studies of its crystallisation.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              215
_journal_page_last               223
_journal_paper_doi               10.1039/c7dt04221c
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C5 Al2 O8'
_chemical_formula_weight         242.01
_chemical_name_mineral           'CAU-15-Cit Anhydrous'
_chemical_name_systematic        'CAU-15-Cit Anhydrous'
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_update_record
;
2017-11-07 deposited with the CCDC.
2017-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                72.143(7)
_cell_angle_beta                 88.617(9)
_cell_angle_gamma                85.242(7)
_cell_formula_units_Z            2
_cell_length_a                   7.0010(3)
_cell_length_b                   7.5062(8)
_cell_length_c                   9.2212(8)
_cell_volume                     459.65(7)
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'STOE Stadi P Cu Ka1'
_diffrn_radiation_wavelength     1.540598
_cod_data_source_file            c7dt04221c2.cif
_cod_data_source_block           structure_CCDC2
_cod_depositor_comments
'Adding full bibliography for 7044853--7044855.cif.'
_cod_database_code               7044855
Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates
Yonesaki, Y.; Matsuda, C.; Journal of Solid State Chemistry 184 (2011) 3247–3252; doi:

data_1548211
_publ_section_title
;
 Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their
 luminescence properties activated by Eu2+; analogous structural behaviors
 of glaserite-type phosphats and silicates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3247
_journal_page_last               3252
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Ba Mg Na2 O8 P2'
_chemical_name_common            Na2BaMgP2O8
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.3043(9)
_cell_length_b                   5.3043(9)
_cell_length_c                   6.9915(8)
_cell_volume                     170.36(5)
_cod_data_source_file            Na2BaMgP2O8.cif
_cod_data_source_block           Na2BaMgP2O8
_cod_original_formula_sum        'Na2 Ba1 Mg1 P2 O8'
_cod_database_code               1548211
Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their luminescence properties activated by Eu2+; analogous structural behaviors of glaserite-type phosphats and silicates
Yonesaki, Y.; Matsuda, C.; Journal of Solid State Chemistry 184 (2011) 3247–3252; doi:

data_1548212
_publ_section_title
;
 Crystal structure of Na2MMgP2O8 (M: Ba, Sr, Ca) orthophosphates and their
 luminescence properties activated by Eu2+; analogous structural behaviors
 of glaserite-type phosphats and silicates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              3247
_journal_page_last               3252
_journal_volume                  184
_journal_year                    2011
_chemical_formula_sum            'Mg Na2 O8 P2 Sr'
_chemical_name_common            Na2SrMgP2O8
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.013(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.124(3)
_cell_length_b                   5.279(15)
_cell_length_c                   13.499(4)
_cell_volume                     650.2(19)
_cod_data_source_file            Na2SrMgP2O8.cif
_cod_data_source_block           Na2SrMgP2O8
_cod_original_formula_sum        'Na2 Sr1 Mg1 P2 O8'
_cod_database_code               1548212
Synthesis and structural data of a Fe-base sodium metaphosphate compound, NaFe(PO3)3
Xinghao Lin; Yanming Zhao; Youzhong Dong; Quan Kuang; Data in Brief 4 (2015) 217–221; doi:10.1016/j.dib.2015.05.022

data_1548351
_publ_section_title
;
 Synthesis and structural data of a Fe-base sodium metaphosphate compound,
 NaFe(PO3)3
;
_journal_name_full               'Data in Brief'
_journal_page_first              217
_journal_page_last               221
_journal_paper_doi               10.1016/j.dib.2015.05.022
_journal_volume                  4
_journal_year                    2015
_chemical_formula_sum            'Fe4 Na4 O36 P12'
_chemical_formula_weight         1263.00
_chemical_name_systematic        ' ?'
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   14.3390(26)
_cell_length_b                   14.3374(26)
_cell_length_c                   14.3642(13)
_cell_measurement_temperature    298
_cell_volume                     2953.0(8)
_computing_structure_refinement  GSAS
_diffrn_ambient_temperature      298
_diffrn_radiation_polarisn_ratio 0.7
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     1.5406
_pd_char_colour                  white
_pd_instr_location               ' ?'
_pd_phase_name
'from E:/REVISED/jiuxing/NFP cif moxing/NaFeP3O9.cif'
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_prof_R_factor        0.0353
_pd_proc_ls_prof_wR_expected     0.0306
_pd_proc_ls_prof_wR_factor       0.0487
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.60
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.10545
_refine_ls_shift/su_max          0.05
_refine_ls_shift/su_mean         0.01
_cod_data_source_file            NFP-CIF.cif
_cod_data_source_block           NFP-CIF_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (250 times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according to the
built-in table from CIF Core dictionary named 'cif_core.dic' version
2.4.1 from 2010-06-29 (264 times).

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_cell_volume        2953.05(27)
_cod_database_code               1548351
Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.
Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan; Nano letters 17 (2017) 6575–6582; doi:10.1021/acs.nanolett.7b02284

data_1548394
_publ_section_title
;
 Novel Layered Supercell Structure from Bi2AlMnO6 for
 Multifunctionalities.
;
_journal_issue                   11
_journal_name_full               'Nano letters'
_journal_page_first              6575
_journal_page_last               6582
_journal_paper_doi               10.1021/acs.nanolett.7b02284
_journal_volume                  17
_journal_year                    2017
_chemical_formula_sum            'Bi9 Mn5.571 O20.143'
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   27.72
_cell_length_b                   27.72
_cell_length_c                   39.4
_cell_volume                     26218.830
_cod_data_source_file            nl7b02284_si_002.cif
_cod_data_source_block           I
_cod_original_cell_volume        26218.83
_cod_database_code               1548394
Novel Layered Supercell Structure from Bi2AlMnO6 for Multifunctionalities.
Li, Leigang; Boullay, Philippe; Lu, Ping; Wang, Xuejing; Jian, Jie; Huang, Jijie; Gao, Xingyao; Misra, Shikhar; Zhang, Wenrui; Perez, Olivier; Steciuk, Gwladys; Chen, Aiping; Zhang, Xinghang; Wang, Haiyan; Nano letters 17 (2017) 6575–6582; doi:10.1021/acs.nanolett.7b02284

data_1548395
_publ_section_title
;
 Novel Layered Supercell Structure from Bi2AlMnO6 for
 Multifunctionalities.
;
_journal_issue                   11
_journal_name_full               'Nano letters'
_journal_page_first              6575
_journal_page_last               6582
_journal_paper_doi               10.1021/acs.nanolett.7b02284
_journal_volume                  17
_journal_year                    2017
_chemical_formula_sum            'Bi9 Mn5.571 O20.143'
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   27.72
_cell_length_b                   27.72
_cell_length_c                   78.8
_cell_volume                     52437.660
_cod_data_source_file            nl7b02284_si_003.cif
_cod_data_source_block           I
_cod_original_cell_volume        52437.66
_cod_database_code               1548395