Shpanchenko, Roman V.; Chernaya, Victoria V.; Tsirlin, Alexander A.; Chizhov, Pavel S.; Sklovsky, Dmitry E.; Antipov, Evgeny V.; Khlybov, Evgeny P.; Pomjakushin, Vladimir; Balagurov, Anatoly M.; Medvedeva, Julia E.; Kaul, Enrique E.; Geibel, Christoph; Chemistry of Materials 16 (2004) 3267–3273; doi:10.1021/cm049310x

data_4000425
_journal_issue                   17
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3267
_journal_page_last               3273
_journal_paper_doi               10.1021/cm049310x
_journal_volume                  16
_journal_year                    2004
_chemical_formula_analytical     'O3 Pb V'
_chemical_formula_moiety         'O3 Pb V'
_chemical_formula_sum            'O3 Pb V'
_chemical_formula_weight         306.14
_chemical_name_common            'Lead vanadate'
_chemical_name_systematic        'Lead Vanadium oxide'
_space_group_IT_number           99
_space_group_name_Hall           'P 4 -2'
_space_group_name_H-M_alt        'P 4 m m'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            1
_cell_length_a                   3.80005(6)
_cell_length_b                   3.80005
_cell_length_c                   4.6703(1)
_cell_measurement_temperature    293
_cell_volume                     67.441(2)
_diffrn_ambient_temperature      293
_diffrn_detector                 PSD
_diffrn_detector_type            'linear PSD'
_diffrn_measurement_device_type  'STADI/P STOE'
_diffrn_radiation_monochromator  'Ge  primiry beam'
_diffrn_source                   'sealed X-Ray tube'
_diffrn_source_target            Cu
_diffrn_source_type              'Cu K\a~1~'
_exptl_absorpt_coefficient_mu    65.536
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   '   Absorption not refined'
_pd_block_diffractogram_id       ?
_pd_instr_dist_anal/detc         ?
_pd_instr_dist_mono/spec         130
_pd_instr_dist_spec/anal         ?
_pd_instr_dist_spec/detc         130
_pd_instr_dist_src/mono          260
_pd_instr_dist_src/spec          ?
_pd_instr_location
'STADI/P STOE Department of Chemistry, MSU, 119992 Moscow, Russia'
_pd_meas_2theta_range_inc        0.010
_pd_meas_2theta_range_max        109.990
_pd_meas_2theta_range_min        15.000
_pd_meas_scan_method             step
_pd_prep_cool_rate               'furnace cooling'
_pd_prep_pressure                4000000
_pd_prep_temperature             1023
_pd_proc_info_data_reduction     ?
_pd_proc_info_excluded_regions   ?
_pd_proc_ls_background_function
;   RIETAN-2000 Chebyshev polynom with 11 terms.
      0:    1847.86     1:   0.000000     3:    697.417     4:   56.3877
      5:   -129.842     6:    233.883     7:    -165.765    8:   -5.54373
      9:   82.4130     10:    -8.67097
;
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function
;
 RIETAN-2000 Pseudo-Woight profile function; PPPs applied
;
_pd_proc_ls_prof_R_factor        0.026
_pd_proc_ls_prof_wR_expected     0.018
_pd_proc_ls_prof_wR_factor       0.035
_pd_proc_wavelength              1.54056
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     ?
_refine_ls_goodness_of_fit_all   1.91
_refine_ls_hydrogen_treatment    ?
_refine_ls_matrix_type           full
_refine_ls_number_constraints    4
_refine_ls_number_parameters     16
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      ?
_refine_ls_restrained_S_obs      ?
_refine_ls_R_factor_all          ?
_refine_ls_R_Fsqd_factor         ?
_refine_ls_R_I_factor            ?
_refine_ls_shift/su_max          0.01
_refine_ls_shift/su_mean         0.01
_refine_ls_weighting_details     ?
_refine_ls_weighting_scheme      sigma
_cod_original_sg_symbol_H-M      'P 4mm'
_cod_database_code               4000425