Thermoelectric Properties of Indium-Filled Skutterudites
He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.; Chemistry of Materials 18 (2006) 759–; doi:10.1021/cm052055b

data_4001481
_publ_section_title
;
 Thermoelectric Properties of Indium-Filled Skutterudites
;
_journal_issue                   3
_journal_name_full               'Chemistry of Materials'
_journal_page_first              759
_journal_paper_doi               10.1021/cm052055b
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'Co In0.05 Sb3'
_chemical_formula_weight         429.92
_chemical_name_systematic        ' ?'
_space_group_IT_number           204
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2 2 3'
_symmetry_space_group_name_H-M   'I m -3'
_audit_creation_date             2005-09-06T12:53
_audit_creation_method           'from EXP file using GSAS2CIF'
_audit_update_record
' 2005-09-06T12:53  Initial CIF as created by GSAS2CIF'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   9.05294(6)
_cell_length_b                   9.05294
_cell_length_c                   9.05294
_cell_volume                     741.940(5)
_computing_structure_refinement  GSAS
_diffrn_radiation_polarisn_ratio 0.97
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.351164
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  1.00000
_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id
2005-09-06T12:53|IN_DOPED_COSB3|H._David_Rosenfeld|5BMC
_pd_calc_method                  'Rietveld Refinement'
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        4.0
_pd_meas_2theta_range_max        0.0
_pd_meas_2theta_range_min        4.0
_pd_meas_number_of_points        0
_pd_phase_name                   CoSb3
_pd_proc_2theta_range_inc        4.0
_pd_proc_2theta_range_max        -0.01
_pd_proc_2theta_range_min        3.99
_pd_proc_info_datetime           2005-09-06T12:53:13
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  5 terms.
 Shifted Chebyshev function of 1st kind
      1:    4.44247     2:   -2.77101     3:    1.76531     4:  -0.831981    
      5:   0.370803    
;
_pd_proc_ls_peak_cutoff          0.00400
_pd_proc_ls_profile_function
;
 CW Profile function number 3 with  19 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Peak tails are ignored  where the intensity is below 0.0040 times the peak
   Aniso. broadening axis   0.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0802
_pd_proc_ls_prof_wR_expected     0.1024
_pd_proc_ls_prof_wR_factor       0.1119
_pd_proc_number_of_points        0
_pd_spec_mounting                ' ?'
_refine_ls_goodness_of_fit_all   1.04
_refine_ls_matrix_type           full
_refine_ls_number_parameters     12
_refine_ls_number_restraints     0
_refine_ls_R_Fsqd_factor         0.05684
_refine_ls_shift/su_max          0.06
_refine_ls_shift/su_mean         0.01
_reflns_d_resolution_high        1.232
_reflns_d_resolution_low         4.526
_reflns_limit_h_max              7
_reflns_limit_h_min              1
_reflns_limit_k_max              5
_reflns_limit_k_min              0
_reflns_limit_l_max              4
_reflns_limit_l_min              0
_reflns_number_observed          49
_cod_data_source_file            cm052055bsi20050912_021514.cif
_cod_data_source_block           IN_DOPED_COSB3_publ
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29 (27
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (21 time).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        741.94031
_cod_original_sg_symbol_H-M      'I m 3'
_cod_database_code               4001481
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000