High-Pressure Synthesis, Crystal Structure, and Unusual Valence State of Novel Perovskite Oxide CaCu3Rh4O12.
Yamada, Ikuya; Ochi, Mikiko; Mizumaki, Masaichiro; Hariki, Atsushi; Uozumi, Takayuki; Takahashi, Ryoji; Irifune, Tetsuo; Inorganic chemistry 53 (2014) 7089–7091; doi:10.1021/ic501341x

data_4340356
_publ_section_title
;
 High-Pressure Synthesis, Crystal Structure, and Unusual Valence State of
 Novel Perovskite Oxide CaCu3Rh4O12.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7089
_journal_page_last               7091
_journal_paper_doi               10.1021/ic501341x
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Ca Cu3 O12 Rh4'
_chemical_formula_weight         834.331
_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'
_audit_creation_date             2012-10-24
_audit_creation_method
' from .lst and *.dst using lst2cif (Dilanian and Izumi, 2011)'
_audit_update_record             ' ?'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.39267(5)
_cell_length_b                   7.39267(5)
_cell_length_c                   7.39267(5)
_cell_measurement_temperature    300
_cell_volume                     404.021(5)
_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_ambient_temperature      300
_diffrn_radiation_wavelength     0.773780
_diffrn_source                   synchrotron
_exptl_crystal_density_diffrn    6.8583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             766.00
_pd_block_id                     2012-10-24_phase_1
_pd_calc_method                  'Rietveld Refinement'
_pd_char_colour                  grey
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.0100
_pd_meas_2theta_range_max        76.6500
_pd_meas_2theta_range_min        0.0100
_pd_meas_number_of_points        7665
_pd_meas_scan_method             step
_pd_proc_2theta_range_inc        0.0100
_pd_proc_2theta_range_max        71.9900
_pd_proc_2theta_range_min        5.0100
_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        0.03586
_pd_proc_ls_prof_wR_expected     0.04584
_pd_proc_ls_prof_wR_factor       0.05111
_pd_spec_mounting                ' ?'
_pd_spec_mount_mode              reflection
_pd_spec_shape                   flat_sheet
_refine_diff_density_max         0.1
_refine_diff_density_min         -0.1
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.1150
_refine_ls_matrix_type           full
_refine_ls_number_constraints    2
_refine_ls_number_parameters     62
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.00787
_refine_ls_R_Fsqd_factor         0.01604
_refine_ls_R_I_factor            0.01344
_refine_ls_shift/su_max          0.0
_refine_ls_weighting_details     1/<i>y</i>~i~
_refine_ls_weighting_scheme      sigma
_cod_duplicate_entry             4340355
_cod_data_source_file            ic501341x_si_002.cif
_cod_data_source_block           phase_1
_cod_depositor_comments
'Adding full bibliography for 4340355--4340356.cif.'
_cod_original_cell_volume        404.021
_cod_database_code               4340356