The ternary system cerium‒rhodium‒silicon
Lipatov, Alexey; Gribanov, Alexander; Grytsiv, Andriy; Safronov, Sergey; Rogl, Peter; Rousnyak, Julia; Seropegin, Yurii; Giester, Gerald; Journal of Solid State Chemistry 183 (2010) 829–843; doi:10.1016/j.jssc.2010.01.029

data_1563655
_publ_section_title
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 The ternary system cerium--rhodium--silicon
;
_journal_issue                   4
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              829
_journal_page_last               843
_journal_paper_doi               10.1016/j.jssc.2010.01.029
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'Ce Rh Si2'
_chemical_formula_weight         299.21
_space_group_IT_number           63
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.2604(2)
_cell_length_b                   16.7737(6)
_cell_length_c                   4.17870(10)
_cell_measurement_temperature    298(2)
_cell_volume                     298.621(19)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0114
_diffrn_reflns_av_sigmaI/netI    0.0144
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            684
_diffrn_reflns_theta_full        36.17
_diffrn_reflns_theta_max         36.17
_diffrn_reflns_theta_min         2.43
_exptl_absorpt_coefficient_mu    21.043
_exptl_absorpt_correction_T_max  0.5709
_exptl_absorpt_correction_T_min  0.5709
_exptl_crystal_density_diffrn    6.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             524
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.134
_refine_diff_density_min         -1.119
_refine_diff_density_rms         0.327
_refine_ls_extinction_coef       0.0048(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.294
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         424
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.294
_refine_ls_R_factor_all          0.0208
_refine_ls_R_factor_gt           0.0173
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0096P)^2^+8.2468P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0371
_refine_ls_wR_factor_ref         0.0536
_reflns_number_gt                398
_reflns_number_total             424
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-829.cif
_cod_data_source_block           cerhsi2
_cod_original_sg_symbol_H-M      Cmcm
_cod_database_code               1563655