B-Site Deficiencies in A-site-Ordered Perovskite LaCu3Pt3.75O12
Mikiko Ochi; Ikuya Yamada; Kenya Ohgushi; Yoshihiro Kusano; Masaichiro Mizumaki; Ryoji Takahashi; Shunsuke Yagi; Norimasa Nishiyama; Toru Inoue; Tetsuo Irifune; Inorganic Chemistry 52 (2013) 3985–3989; doi:10.1021/ic302809v

data_4334350
_publ_section_title
;
 B-Site Deficiencies in A-site-Ordered Perovskite LaCu3Pt3.75O12
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3985
_journal_page_last               3989
_journal_paper_doi               10.1021/ic302809v
_journal_volume                  52
_journal_year                    2013
_chemical_formula_sum            'Cu3 La O12 Pt3.73229'
_chemical_formula_weight         1249.646
_chemical_name_systematic        ' ?'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      204
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.5405(1)
_cell_length_b                   7.5405(1)
_cell_length_c                   7.5405(1)
_cell_volume                     428.746(10)
_computing_cell_refinement       'RIETAN-FP (Izumi and Momma, 2007)'
_computing_molecular_graphics    'VESTA (Momma and Izumi, 2008)'
_computing_structure_refinement  'RIETAN-FP (Izumi and Momma, 2007)'
_diffrn_radiation_wavelength     0.518520
_diffrn_source                   synchrotron
_exptl_crystal_density_diffrn    9.6800
_exptl_crystal_F_000             1062.24
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        76.6200
_pd_meas_2theta_range_min        0.0100
_pd_meas_number_of_points        7662
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        40.0000
_pd_proc_2theta_range_min        5.0000
_pd_proc_ls_background_function  'Legendre polynomials'
_pd_proc_ls_pref_orient_corr     ' ?'
_pd_proc_ls_profile_function     'split pseudo-Voigt function'
_pd_proc_ls_prof_R_factor        0.05608
_pd_proc_ls_prof_wR_expected     0.05935
_pd_proc_ls_prof_wR_factor       0.07377
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              transmission
_pd_spec_shape                   cylinder
_refine_diff_density_max         0.0
_refine_diff_density_min         0.0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.2430
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     40
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.01784
_refine_ls_R_Fsqd_factor         0.02014
_refine_ls_R_I_factor            0.02901
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_data_source_file            ic302809v_si_001_2.cif
_cod_data_source_block           phase_1
_cod_original_cell_volume        428.74(1)
_cod_database_code               4334350