Silver Indium Telluride Semiconductors and Their Solid Solutions with Cadmium Indium Telluride: Structure and Physical Properties.
Welzmiller, Simon; Hennersdorf, Felix; Schlegel, Robert; Fitch, Andrew; Wagner, Gerald; Oeckler, Oliver; Inorganic chemistry 54 (2015) 5745–5756; doi:10.1021/acs.inorgchem.5b00433

data_1520110
_publ_section_title
;
 Silver Indium Telluride Semiconductors and Their Solid Solutions with
 Cadmium Indium Telluride: Structure and Physical Properties.
;
_journal_issue                   12
_journal_name_full               'Inorganic chemistry'
_journal_page_first              5745
_journal_page_last               5756
_journal_paper_doi               10.1021/acs.inorgchem.5b00433
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'Ag0.25 Cd0.5 In2.25 Te4'
_chemical_formula_weight         851.92
_chemical_name_common            'cadmium indium silver telluride'
_chemical_name_systematic
; 
 cadmium indium silver telluride
;
_space_group_IT_number           121
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      121
_symmetry_space_group_name_Hall  'I -4 2'
_symmetry_space_group_name_H-M   'I -4 2 m'
_audit_creation_method           'TOPAS ACADEMIC 4.2 and PLATON'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.21342(1)
_cell_length_b                   6.21342(1)
_cell_length_c                   12.45643(1)
_cell_measurement_temperature    297(2)
_cell_volume                     480.9003(12)
_computing_molecular_graphics    'Diamond 3.2i'
_computing_publication_material  'TOPAS ACADEMIC 4.2'
_computing_structure_refinement  'TOPAS ACADEMIC 4.2'
_computing_structure_solution    model
_diffrn_ambient_temperature      297(2)
_diffrn_measurement_device_type  'powder diffractometer'
_diffrn_measurement_method       spinning
_diffrn_measurement_specimen_support capillary
_diffrn_radiation_monochromator  Si-111
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.389746
_diffrn_source_type              'ESRF, beamline ID31'
_exptl_absorpt_coefficient_mu    11.7
_exptl_absorpt_process_details
;
;
_exptl_crystal_density_diffrn    5.88
_exptl_crystal_F_000             708
_pd_calc_method                  'Rietveld refinement'
_pd_char_colour                  'metallic black'
_pd_char_particle_morphology     'powder with platelet-shaped crystallites'
_pd_meas_number_of_points        15500
_pd_proc_info_excluded_regions
;
 The strongest reflection had to be excluded from the refinement,
 cf. manuscript. 
 
 0.485911 A: 7.735 - 7.79
 0.464163 A: 7.385 - 7.44
 0.443785 A: 7.04 - 7.14
 0.389746 A: 6.21 - 6.24
 
;
_pd_proc_ls_prof_R_factor        0.078
_pd_proc_ls_prof_wR_factor       0.099
_pd_proc_number_of_points        15500
_refine_ls_goodness_of_fit_all   1.40
_refine_ls_matrix_type           full
_refine_ls_number_constraints    4
_refine_ls_number_parameters     154
_refine_ls_number_restraints     0
_refine_ls_R_I_factor            0.068
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.000
_reflns_number_total             297
_cod_data_source_file            ic5b00433_si_002.cif
_cod_data_source_block           Ag0.25Cd0.5In2.25Te4
_cod_depositor_comments
'Adding full bibliography for 1520107--1520110.cif.'
_cod_original_cell_volume        480.900(3)
_cod_database_code               1520110
_pd_proc_ls_prof_r_expected      0.071