Synthesis, Characterization, and Crystallographic Study of the PbO-Bi2O3-V2O5 System: Pb3-xBi2x/3V2O8 (0.20 <=x<= 0.50)
Prangya Parimita Sahoo; Etienne Gaudin; Jacques Darriet; T. N. Guru Row; Inorganic Chemistry 49 (2010) 5603–5610; doi:10.1021/ic100488t

data_4315781
_publ_contact_author_address
; 
Prof. T. N. Guru Row
Solid State and Structural Chemistry Unit
Indian Institute of Science
Bangalore 560012
India 
;
_publ_contact_author_email       ssctng@sscu.iisc.ernet.in
_publ_contact_author_fax         '(91) 80 2360 1310'
_publ_contact_author_name
;
Prof. T. N. Guru Row
;
_publ_contact_author_phone       '(91) 80 2293 2796'
_publ_section_title
;
 Synthesis, Characterization, and Crystallographic Study of the
 PbO-Bi2O3-V2O5 System: Pb3-xBi2x/3V2O8 (0.20 <=x<= 0.50)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5603
_journal_page_last               5610
_journal_paper_doi               10.1021/ic100488t
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'Bi O24 Pb7.50 V6'
_chemical_formula_sum            'Bi0.333 O8 Pb2.5 V2'
_chemical_formula_weight         817.4
_chemical_name_systematic        ' ?'
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_audit_creation_method           'Jana2000 Version : 08/11/2007'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.76048(1)
_cell_length_b                   5.76048(1)
_cell_length_c                   20.3029(1)
_cell_measurement_temperature    293
_cell_volume                     583.453(3)
_computing_publication_material
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_computing_structure_refinement
'Jana2000 (Petricek, Dusek & Palatinus, 2000)'
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  BT1
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     2.079
_exptl_absorpt_coefficient_mu    0.006
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_density_diffrn    6.9771
_exptl_crystal_F_000             216
_pd_char_colour                  brown
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        121.000
_pd_meas_2theta_range_min        3.000
_pd_meas_number_of_points        2361
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        121
_pd_proc_2theta_range_min        3
_pd_proc_ls_background_function  '15 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Gaussian
_pd_proc_ls_prof_R_factor        0.0559
_pd_proc_ls_prof_wR_expected     0.0500
_pd_proc_ls_prof_wR_factor       0.0712
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   2.03
_refine_ls_number_parameters     31
_refine_ls_R_factor_all          0.0722
_refine_ls_R_factor_gt           0.0632
_refine_ls_shift/su_max          0.0165
_refine_ls_shift/su_mean         0.0046
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0605
_refine_ls_wR_factor_ref         0.0609
_cod_data_source_file            ic100488t_si_002.cif
_cod_data_source_block           (I)
_cod_original_sg_symbol_Hall     '-R 3;-2"'
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               4315781
_cod_database_fobs_code          4315781