Synthesis, Structure, Magnetism, and Optical Properties of Cs2Cu3DyTe4
Jean-Marie Babo; Eun Sang Choi; Thomas E. Albrecht-Schmitt; Inorganic Chemistry 51 (2012) 11730–11735; doi:10.1021/ic301649p

data_4330892
_publ_section_title
;
 Synthesis, Structure, Magnetism, and Optical Properties of Cs2Cu3DyTe4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11730
_journal_page_last               11735
_journal_paper_doi               10.1021/ic301649p
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         Cs2Cu3DyTe4
_chemical_formula_sum            'Cs2 Cu3 Dy Te4'
_chemical_formula_weight         1129.37
_chemical_name_common            'cesium copper dysprosium telluride'
_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'
_atom_sites_solution_hydrogens   none
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 108.609(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.462(4)
_cell_length_b                   4.4340(10)
_cell_length_c                   8.881(2)
_cell_measurement_temperature    296(2)
_cell_volume                     614.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0357
_diffrn_reflns_av_sigmaI/netI    0.0244
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5160
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    26.218
_exptl_absorpt_correction_T_max  0.399
_exptl_absorpt_correction_T_min  0.226
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    6.105
_exptl_crystal_description       lath
_exptl_crystal_F_000             942
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.035
_refine_diff_density_max         1.535
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.240
_refine_ls_extinction_coef       0.00022(5)
_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   1.156
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     45
_refine_ls_number_reflns         788
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.156
_refine_ls_R_factor_all          0.0238
_refine_ls_R_factor_gt           0.0223
_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^)+(0.0000P)^2^+11.6167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0445
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                748
_reflns_number_total             788
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic301649p_si_001.cif
_cod_data_source_block           dycuyteincscl_0m
_cod_original_cell_volume        614.4(2)
_cod_database_code               4330892