LMucko/crystallography-open-database huggingface dataset:
Cs10H[Ga3H8]3: A Hydrogenous Zintl phase Containing Propane-Like Polyanions [Ga3H8]3- and Interstitial Hydrogen
Henrik Fahlquist; Dag Noréus; Inorganic Chemistry 52 (2013) 7125–7129; doi:10.1021/ic400714e

data_4335221
_publ_section_title
;
 Cs10H[Ga3H8]3: A Hydrogenous Zintl phase Containing Propane-Like
 Polyanions [Ga3H8]3- and Interstitial Hydrogen
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7125
_journal_page_last               7129
_journal_paper_doi               10.1021/ic400714e
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety         '(D3Rb6) 5+, Rb +, (D12Ga5) 5-'
_chemical_formula_structural     '(D3Rb6) 5+, (Rb +)2, (D12Ga5) 5-'
_chemical_formula_sum            'Cs8 D15 Ga5'
_chemical_formula_weight         1442.03
_chemical_name_systematic        ' ?'
_space_group_IT_number           203
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            8
_cell_length_a                   17.3161(4)
_cell_length_b                   17.3161(4)
_cell_length_c                   17.3161(4)
_cell_measurement_temperature    298
_cell_volume                     5192.2(2)
_computing_structure_refinement  FULLPROF
_diffrn_ambient_temperature      298
_diffrn_measurement_device_type  'neutron diffractometer'
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           'Constant Wavelength Neutron Diffraction'
_diffrn_radiation_wavelength     1.55560
_diffrn_source                   'nuclear reactor'
_exptl_crystal_density_diffrn    3.690
_pd_char_colour                  grey
_pd_meas_2theta_range_inc        0.050024
_pd_meas_2theta_range_max        129.95000
_pd_meas_2theta_range_min        10.30000
_pd_meas_number_of_points        0
_pd_prep_pressure                101
_pd_prep_temperature             298
_pd_proc_2theta_range_inc        0.050024
_pd_proc_2theta_range_max        129.9990
_pd_proc_2theta_range_min        10.3490
_pd_proc_ls_prof_R_factor        2.7856
_pd_proc_ls_prof_wR_expected     2.7188
_pd_proc_ls_prof_wR_factor       3.5831
_pd_proc_number_of_points        2394
_pd_proc_wavelength              1.555600
_refine_ls_number_parameters     72
_refine_ls_number_reflns         396
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            7.7750
_cod_data_source_file            ic400714e_si_002_2.cif
_cod_data_source_block           Rb8Ga5D15
_cod_original_sg_symbol_H-M      'F d -3'
_cod_database_code               4335221
_cod_database_fobs_code          4335221
_pd_proc_ls_prof_cr_factor       14.4165
_pd_proc_ls_prof_cwr_factor      13.9926
_pd_proc_ls_prof_cwr_expected    10.6173
_pd_proc_ls_prof_chi2            1.7369
_pd_proc_ls_prof_echi2           1.7369
Puzzling Polymorphism of Layered Ba(CoPO4)2
Rénald David; Houria Kabbour; Alain Pautrat; Olivier Mentré; Inorganic Chemistry 52 (2013) 8732–8737; doi:10.1021/ic4009027

data_4335568
_publ_contact_author_address
;
UCCS, UMR CNRS 8181
Ecole de Chimie de Lille (bat C7)
Villeneuve d'Ascq
France
;
_publ_contact_author_email       olivier.mentre@ensc-lille.fr
_publ_contact_author_fax         0033320436814
_publ_contact_author_name        'Dr Olivier Mentre'
_publ_contact_author_phone       0033320337721
_publ_section_title
;
 Puzzling Polymorphism of Layered Ba(CoPO4)2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8732
_journal_page_last               8737
_journal_paper_doi               10.1021/ic4009027
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Ba Co2 O8 P2'
_chemical_formula_weight         445.1
_space_group_IT_number           147
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                120.00000
_cell_formula_units_Z            1
_cell_length_a                   5.22264(4)
_cell_length_b                   5.22264(4)
_cell_length_c                   8.26062(10)
_cell_volume                     195.130(3)
_computing_structure_refinement  FULLPROF
_diffrn_radiation_type           x-ray
_pd_meas_2theta_range_inc        0.022310
_pd_meas_2theta_range_max        109.97111
_pd_meas_2theta_range_min        10.00000
_pd_meas_number_of_points        4482
_pd_proc_2theta_range_inc        0.022310
_pd_proc_2theta_range_max        109.8505
_pd_proc_2theta_range_min        9.8794
_pd_proc_ls_prof_R_factor        0.9962
_pd_proc_ls_prof_wR_expected     0.9610
_pd_proc_ls_prof_wR_factor       1.4405
_pd_proc_wavelength              1.540600
_refine_ls_number_parameters     10
_refine_ls_number_reflns         376
_refine_ls_number_restraints     3
_refine_ls_R_I_factor            8.1130
_cod_data_source_file            ic4009027_si_002.cif
_cod_data_source_block           phase1
_cod_original_formula_sum        'Ba1 Co2 O8 P2'
_cod_database_code               4335568
_pd_proc_ls_prof_cr_factor       38.6510
_pd_proc_ls_prof_cwr_factor      13.6682
_pd_proc_ls_prof_cwr_expected    9.1184
_pd_proc_ls_prof_chi2            2.2469
_pd_proc_ls_prof_echi2           2.2469
Design of Medium Band Gap Ag-Bi-Nb-O and Ag-Bi-Ta-O Semiconductors for Driving Direct Water Splitting with Visible Light
Limin Wang; Bingfei Cao; Wei Kang; Mark Hybertsen; Kazuhiko Maeda; Kazunari Domen; Peter G. Khalifah; Inorganic Chemistry 52 (2013) 9192–9205; doi:10.1021/ic400089s

data_4335693
_publ_section_title
;
 Design of Medium Band Gap Ag-Bi-Nb-O and Ag-Bi-Ta-O Semiconductors for
 Driving Direct Water Splitting with Visible Light
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9192
_journal_page_last               9205
_journal_paper_doi               10.1021/ic400089s
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Ag0.8 Bi0.8333 O6.65 Ta2'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.522679(22)
_cell_length_b                   10.522679(22)
_cell_length_c                   10.522679(22)
_cell_volume                     1165.142(4)
_cod_data_source_file            ic400089s_si_001.cif
_cod_data_source_block           cell
_cod_original_cell_volume        1165.1424(73)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_original_formula_sum        'Ag0.8 Bi0.8333 Ta2 O6.65'
_cod_database_code               4335693
Mo- and W-Based Organic Nanostructures Prepared from Bulk Crystal Isomorphs Consisted of [(CH3CH2)3NH)]2[MO2(C14H6O4)2] (M = Mo, W)
B. Zhang; S. Z. Du; X. M. Lu; G. Wang; J. Fen; Inorganic Chemistry 52 (2013) 9470–9478; doi:10.1021/ic401125e

data_4335747
_publ_section_title
;
 Mo- and W-Based Organic Nanostructures Prepared from Bulk Crystal
 Isomorphs Consisted of [(CH3CH2)3NH)]2[MO2(C14H6O4)2] (M = Mo, W)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9470
_journal_page_last               9478
_journal_paper_doi               10.1021/ic401125e
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C40 H44 Mo N2 O10'
_chemical_formula_weight         808.710
_space_group_IT_number           15
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2011-11-09
_audit_creation_method           SHELXL-97
_audit_update_record             2011-11-09
_cell_angle_alpha                90.000
_cell_angle_beta                 92.028(1)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   26.990(3)
_cell_length_b                   10.367(1)
_cell_length_c                   13.2831(13)
_cell_measurement_temperature    298(2)
_cell_volume                     3714.4(7)
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_wavelength     0.71073
_refine_ls_R_factor_all          0.066
_cod_data_source_file            ic401125e_si_001.cif
_cod_data_source_block           111019b
_cod_original_cell_volume        3714.4(6)
_cod_original_sg_symbol_Hall     -C_2yc
_cod_database_code               4335747
Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics
Frantti, J.; Lappalainen, J.; Eriksson, S.; Lantto, V.; Nishio,S.; Kakihana, M.; Ivanov, S.; Rundlof, H.; Japanese Journal of Applied Physics, Part 1 39 (2000) 5697–5703; doi:10.1143/JJAP.39.5697

data_1513333
_publ_section_title
;
 Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics
;
_journal_name_full               'Japanese Journal of Applied Physics, Part 1'
_journal_page_first              5697
_journal_page_last               5703
_journal_paper_doi               10.1143/JJAP.39.5697
_journal_volume                  39
_journal_year                    2000
_chemical_formula_structural     'Pb (Zr0.3 Ti0.7) O3'
_chemical_formula_sum            'O3 Pb Ti0.7 Zr0.3'
_chemical_name_systematic        'Lead Zirconium Titanium Oxide (1/0.3/0.7/3)'
_space_group_IT_number           99
_symmetry_Int_Tables_number      99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   3.978020(23)
_cell_length_b                   3.978020(23)
_cell_length_c                   4.14877(5)
_cell_volume                     65.6528(10)
_cod_data_source_file            PZT_2.cif
_cod_data_source_block           PZT
_cod_original_cell_volume        65.65
_cod_original_formula_sum        'O3 Pb1 Ti0.7 Zr0.3'
_cod_database_code               1513333
Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the X-ray Rietveld method
Joseph, J.; Vimala, T.M.; Sivasubramanian, V.; Journal of Materials Science 35 (2000) 1571–1575; doi:10.1023/A:1004778223721

data_1513334
_publ_section_title
;
 Structural investigations on Pb (Zrx Ti1-x) O3 solid solutions using the
 X-ray Rietveld method
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              1571
_journal_page_last               1575
_journal_paper_doi               10.1023/A:1004778223721
_journal_volume                  35
_journal_year                    2000
_chemical_formula_structural     'Pb (Zr0.1 Ti0.9) O3'
_chemical_formula_sum            'O3 Pb Ti0.9 Zr0.1'
_chemical_name_systematic        'Lead Zirconium Titanium Oxide (1/0.1/0.9/3)'
_space_group_IT_number           99
_symmetry_Int_Tables_number      99
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            1
_cell_length_a                   3.9272(2)
_cell_length_b                   3.9272(2)
_cell_length_c                   4.1319(3)
_cell_volume                     63.726(7)
_cod_data_source_file            PZT_3.cif
_cod_data_source_block           PZT
_cod_original_cell_volume        63.73
_cod_original_formula_sum        'O3 Pb1 Ti0.9 Zr0.1'
_cod_database_code               1513334
Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by X-ray Powder Diffraction with Charge-Flipping Algorithm
Yan Xu; Leifeng Liu; Daniel M. Chevrier; Junliang Sun; Peng Zhang; Jihong Yu; Inorganic Chemistry 52 (2013) 10238–10244; doi:10.1021/ic302705f

data_4335929
_publ_section_title
;
 Germanate with Three-Dimensional 12 x 12 x 11-Ring Channels Solved by
 X-ray Powder Diffraction with Charge-Flipping Algorithm
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10238
_journal_page_last               10244
_journal_paper_doi               10.1021/ic302705f
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'C15 H40 Ge11 N3 O25.5'
_chemical_name_mineral           '|(C15N2H32)(NH4)|[Ge11 O21.5(OH)4]'
_space_group_IT_number           40
_symmetry_space_group_name_Hall  'A 2 -2a'
_symmetry_space_group_name_H-M   'A m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   37.82959
_cell_length_b                   15.24373
_cell_length_c                   12.83659
_cell_volume                     7402.400
_cod_data_source_file            ic302705f_si_002.cif
_cod_data_source_block           GeO-JU90
_cod_original_cell_volume        7402.4
_cod_original_formula_sum        'C15 H40 N3 O25.5 Ge11'
_cod_database_code               4335929
New Layered Fluorosulfide SrFBiS2
Hechang Lei; Kefeng Wang; Milinda Abeykoon; Emil S. Bozin; Cedomir Petrovic; Inorganic Chemistry 52 (2013) 10685–10689; doi:10.1021/ic4018135

data_4336114
_publ_contact_author_address
'Condensed Matter Phys. & Mater. Sci. Dept., BNL, Upton, NY 11973, USA'
_publ_contact_author_email       petrovic@bnl.gov
_publ_contact_author_name        'Cedomir Petrovic'
_publ_section_title
;
 New Layered Fluorosulfide SrFBiS2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10685
_journal_page_last               10689
_journal_paper_doi               10.1021/ic4018135
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Bi2 F2 S4 Sr2'
_chemical_formula_weight         759.462
_space_group_IT_number           129
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90.000
_cell_angle_beta                 90.000
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   4.0790(2)
_cell_length_b                   4.0790(2)
_cell_length_c                   13.8140(5)
_cell_measurement_radiation      'x-rays, synchrotron'
_cell_measurement_temperature    300
_cell_measurement_wavelength     0.1839
_cell_volume                     229.841(18)
_computing_structure_refinement  GSAS
_computing_structure_solution    'starting values from the literature'
_diffrn_ambient_temperature      300
_diffrn_measurement_device_type
;
X17A beamline of the National Synchrotron Light Source, BNL, Upton, USA
;
_diffrn_radiation_type           'x-rays, synchrotron'
_diffrn_radiation_wavelength     0.1839
_pd_phase_name                   SrFBiS2
_refine_ls_wR_factor_all         0.138
_cod_data_source_file            ic4018135_si_001.cif
_cod_data_source_block           SrFBiS2
_cod_original_cell_volume        229.84(2)
_cod_original_sg_symbol_Hall     -P_4a_2a
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_original_formula_sum        'Sr2 F2 Bi2 S4'
_cod_database_code               4336114
Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques
Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian; Inorganic Chemistry 52 (2013) 11530–11537; doi:10.1021/ic401860j

data_4336321
_publ_contact_author_address
; 
Gilbert 153 Department of Chemistry
Oregon State University
Corvallis, OR 97331
USA
;
_publ_contact_author_email       Mas.Subramanian@oregonstate.edu
_publ_contact_author_fax         541-737-2062
_publ_contact_author_name        'Subramanian, M.A.'
_publ_contact_author_phone       541-737-8235
_publ_section_title
;
 Structural Investigation of the Substituted Pyrochlore AgSbO3 through
 Total Scattering Techniques
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11530
_journal_page_last               11537
_journal_paper_doi               10.1021/ic401860j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Ag O3 Sb'
_chemical_formula_weight         277.61
_chemical_name_systematic
; 
Silver Antimony Oxide
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.24424(5)
_cell_length_b                   10.24424
_cell_length_c                   10.24424
_cell_measurement_temperature    298
_cell_volume                     1075.076(5)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         spallation
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     TOF
_pd_phase_name
'from C:/gsas/MyWork/AgSbO3/GLPIV095-01_AgSbO3_NPDF/4/Ag2Sb2O6.cif'
_cod_data_source_file            ic401860j_si_002_1.cif
_cod_data_source_block           AgSbO3_publ
_cod_original_cell_volume        1075.078(17)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4336321
Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques
Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian; Inorganic Chemistry 52 (2013) 11530–11537; doi:10.1021/ic401860j

data_4336322
_publ_contact_author_address
; 
Gilbert 153 Department of Chemistry
Oregon State University
Corvallis, OR 97331
USA
;
_publ_contact_author_email       Mas.Subramanian@oregonstate.edu
_publ_contact_author_fax         541-737-2062
_publ_contact_author_name        'Subramanian, M.A.'
_publ_contact_author_phone       541-737-8235
_publ_section_title
;
 Structural Investigation of the Substituted Pyrochlore AgSbO3 through
 Total Scattering Techniques
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11530
_journal_page_last               11537
_journal_paper_doi               10.1021/ic401860j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Ag0.96 Na0.05 O3 Sb'
_chemical_formula_weight         274.87
_chemical_name_systematic
; 
Silver Sodium Antimony Oxide
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.24440(6)
_cell_length_b                   10.2444
_cell_length_c                   10.2444
_cell_measurement_temperature    298
_cell_volume                     1075.127(6)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         spallation
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     TOF
_pd_phase_name
'from C:/gsas/MyWork/Ag1-xMxSbO3/Ag-Na/NPDF/GLPV007-02_Ag09Na01SbO3'
_cod_data_source_file            ic401860j_si_002_2.cif
_cod_data_source_block           Ag09Na01SbO3_publ
_cod_original_cell_volume        1075.126(17)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4336322
Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques
Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian; Inorganic Chemistry 52 (2013) 11530–11537; doi:10.1021/ic401860j

data_4336323
_publ_contact_author_address
; 
Gilbert 153 Department of Chemistry
Oregon State University
Corvallis, OR 97331
USA
;
_publ_contact_author_email       Mas.Subramanian@oregonstate.edu
_publ_contact_author_fax         541-737-2062
_publ_contact_author_name        'Subramanian, M.A.'
_publ_contact_author_phone       541-737-8235
_publ_section_title
;
 Structural Investigation of the Substituted Pyrochlore AgSbO3 through
 Total Scattering Techniques
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11530
_journal_page_last               11537
_journal_paper_doi               10.1021/ic401860j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Ag0.84 K0.16 O3 Sb'
_chemical_formula_weight         266.55
_chemical_name_systematic
; 
Silver Potassium Antimony Oxide
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.26931(8)
_cell_length_b                   10.26931
_cell_length_c                   10.26931
_cell_measurement_temperature    298
_cell_volume                     1082.988(8)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         spallation
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     TOF
_pd_phase_name
'from C:/gsas/MyWork/Ag1-xMxSbO3/Ag-K/NPDF/GLPIV086-01_Ag08K02SbO3/'
_cod_data_source_file            ic401860j_si_002_3.cif
_cod_data_source_block           Ag08K02SbO3_publ
_cod_original_cell_volume        1082.989(27)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4336323
Structural Investigation of the Substituted Pyrochlore AgSbO3 through Total Scattering Techniques
Geneva Laurita; Katharine Page; A. W. Sleight; M. A. Subramanian; Inorganic Chemistry 52 (2013) 11530–11537; doi:10.1021/ic401860j

data_4336324
_publ_contact_author_address
; 
Gilbert 153 Department of Chemistry
Oregon State University
Corvallis, OR 97331
USA
;
_publ_contact_author_email       Mas.Subramanian@oregonstate.edu
_publ_contact_author_fax         541-737-2062
_publ_contact_author_name        'Subramanian, M.A.'
_publ_contact_author_phone       541-737-8235
_publ_section_title
;
 Structural Investigation of the Substituted Pyrochlore AgSbO3 through
 Total Scattering Techniques
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11530
_journal_page_last               11537
_journal_paper_doi               10.1021/ic401860j
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Ag0.77 K0.24 O3 Sb'
_chemical_formula_weight         261.78
_chemical_name_systematic
; 
Silver Potassium Antimony Oxide
;
_space_group_IT_number           227
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            16
_cell_length_a                   10.28761(9)
_cell_length_b                   10.28761
_cell_length_c                   10.28761
_cell_measurement_temperature    298
_cell_volume                     1088.788(10)
_diffrn_ambient_temperature      298
_diffrn_radiation_probe          neutron
_diffrn_radiation_source         spallation
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     TOF
_pd_phase_name
'from C:/gsas/MyWork/Ag1-xMxSbO3/Ag-K/NPDF/GLPIV084-01-Ag066K033SbO'
_cod_data_source_file            ic401860j_si_002_4.cif
_cod_data_source_block           Ag066K033SbO3_publ
_cod_original_cell_volume        1088.789(30)
_cod_original_sg_symbol_H-M      'F d -3 m'
_cod_database_code               4336324