Undulating Layers in a New Rhodate Network: Structure of Bi1.4CuORh5O10
Hiroshi Mizoguchi; Yuichi Michiue; Arthur W. Sleight; M. A. Subramanian; Inorganic Chemistry 50 (2011) 10397–10401; doi:10.1021/ic201481d

data_4326559
_publ_section_title
;
 Undulating Layers in a New Rhodate Network: Structure of Bi1.4CuORh5O10
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10397
_journal_page_last               10401
_journal_paper_doi               10.1021/ic201481d
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'Bi1.41 Cu1 O11 Rh5'
_chemical_formula_structural     'Bi1.41 Cu1 O11 Rh5'
_chemical_formula_sum            'Bi1.41 Cu O11 Rh5'
_chemical_formula_weight         1048.7
_chemical_name_systematic        ' ?'
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.903(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.310(3)
_cell_length_b                   3.0775(9)
_cell_length_c                   16.009(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      33.3
_cell_measurement_theta_min      25.7
_cell_volume                     848.3(3)
_computing_publication_material
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_computing_structure_refinement
'Jana2006 (Petricek, Dusek & Palatinus, 2006)'
_diffrn_ambient_temperature      295
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0636
_diffrn_reflns_av_sigmaI/netI    0.085
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            5983
_diffrn_reflns_theta_full        40.01
_diffrn_reflns_theta_max         40.01
_diffrn_reflns_theta_min         2.56
_diffrn_standards_decay_%        2.2
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    41.14
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(Tompa Analytical)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    8.2088
_exptl_crystal_description       prism
_exptl_crystal_F_000             1832.8
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         7.77
_refine_diff_density_min         -4.91
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    2.17
_refine_ls_goodness_of_fit_ref   1.83
_refine_ls_number_constraints    0
_refine_ls_number_parameters     110
_refine_ls_number_reflns         2993
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0986
_refine_ls_R_factor_gt           0.0524
_refine_ls_shift/su_max          0.0098
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.000004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1219
_reflns_number_gt                1973
_reflns_number_total             2993
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic201481d_si_001.cif
_cod_data_source_block           (I)
_cod_original_formula_sum        'Bi1.41 Cu1 O11 Rh5'
_cod_database_code               4326559
_cod_database_fobs_code          4326559