Inducing Magnetism in the Kondo Semiconductor CeRhSb through Hydrogenation: Antiferromagnetic Behavior of the New Hydride CeRhSbH0.2
Chevalier, B.; Decourt, R.; Heying, B.; Schappacher, F. M.; Rodewald, U. Ch.; Hoffmann, R.-D.; Pöttgen, R.; Eger, R.; Simon, A.; Chemistry of Materials 19 (2007) 28–; doi:10.1021/cm062168a

data_4001287
_publ_section_title
;
 Inducing Magnetism in the Kondo Semiconductor CeRhSb through
 Hydrogenation:&#x00A0; Antiferromagnetic Behavior of the New Hydride
 CeRhSbH0.2
;
_journal_issue                   1
_journal_name_full               'Chemistry of Materials'
_journal_page_first              28
_journal_paper_doi               10.1021/cm062168a
_journal_volume                  19
_journal_year                    2007
_chemical_formula_sum            'Ce Rh Sb'
_chemical_formula_weight         364.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                   7.422(2)
_cell_length_b                   4.625(2)
_cell_length_c                   7.877(2)
_cell_measurement_temperature    293(2)
_cell_volume                     270.39(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0628
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            2645
_diffrn_reflns_theta_full        29.97
_diffrn_reflns_theta_max         29.97
_diffrn_reflns_theta_min         3.77
_exptl_absorpt_coefficient_mu    32.116
_exptl_crystal_density_diffrn    8.961
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             616
_refine_diff_density_max         8.232
_refine_diff_density_min         -3.542
_refine_diff_density_rms         0.902
_refine_ls_extinction_coef       0.0016(6)
_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   1.224
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     20
_refine_ls_number_reflns         443
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.224
_refine_ls_R_factor_all          0.0723
_refine_ls_R_factor_gt           0.0561
_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^)+(0.0368P)^2^+62.2744P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1409
_refine_ls_wR_factor_ref         0.1444
_reflns_number_gt                331
_reflns_number_total             443
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm062168asi20060912_032511.cif
_cod_data_source_block           cerhsbh02
_cod_database_code               4001287