CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection
Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.; Chemistry of Materials 25 (2013) 2089–; doi:10.1021/cm400634v

data_4001777
_publ_section_title
;
 CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential
 Materials for Hard Radiation Detection
;
_journal_issue                   10
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2089
_journal_paper_doi               10.1021/cm400634v
_journal_volume                  25
_journal_year                    2013
_chemical_formula_sum            'Cd2 Cs2 In2 Te6'
_chemical_formula_weight         1485.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.38(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.523(3)
_cell_length_b                   12.517(3)
_cell_length_c                   24.441(5)
_cell_measurement_reflns_used    8009
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.56
_cell_measurement_theta_min      2.38
_cell_volume                     3799.4(15)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'STOE IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.0655
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            9334
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    17.380
_exptl_absorpt_correction_T_max  0.4482
_exptl_absorpt_correction_T_min  0.2985
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    5.195
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             4928
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.878
_refine_diff_density_min         -1.538
_refine_diff_density_rms         0.415
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.986
_refine_ls_matrix_type           full
_refine_ls_number_parameters     110
_refine_ls_number_reflns         3338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0762
_refine_ls_R_factor_gt           0.0434
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0621P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0991
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                2150
_reflns_number_total             3338
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cm400634v_si_002.cif
_cod_data_source_block           CsCdInTe3
_cod_original_cell_volume        3799.3(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4001777