Semiconducting behavior of type-I Si clathrate K8Ga8Si38.
Imai, Motoharu; Sato, Akira; Udono, Haruhiko; Imai, Yoji; Tajima, Hiroyuki; Dalton transactions (Cambridge, England : 2003) 40 (2011) 4045–4047; doi:10.1039/c1dt10071h

data_7015771
_publ_section_title
;
 Semiconducting behavior of type-I Si clathrate K8Ga8Si38.
;
_journal_issue                   16
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4045
_journal_page_last               4047
_journal_paper_doi               10.1039/c1dt10071h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'Ga8.35 K8 Si37.65'
_chemical_formula_weight         1952.41
_chemical_name_systematic
;
?
;
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_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            1
_cell_length_a                   10.4261(2)
_cell_length_b                   10.4261(2)
_cell_length_c                   10.4261(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1133.35(4)
_computing_cell_refinement       'Bruker AXS SAINT PLUS 6.45'
_computing_data_collection       'Bruker AXS SMART for WNT/2000 5.625'
_computing_data_reduction        'Bruker AXS SAINT PLUS 6.45'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0105
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8352
_diffrn_reflns_theta_full        30.52
_diffrn_reflns_theta_max         30.52
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    6.608
_exptl_absorpt_correction_T_max  0.5276
_exptl_absorpt_correction_T_min  0.3612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 1999)'
_exptl_crystal_colour            grey
_exptl_crystal_density_diffrn    2.861
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             937.97
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.275
_refine_diff_density_min         -0.297
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.0253(9)
_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   1.098
_refine_ls_matrix_type           full
_refine_ls_number_parameters     19
_refine_ls_number_reflns         338
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0136
_refine_ls_R_factor_gt           0.0130
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0216P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0326
_refine_ls_wR_factor_ref         0.0327
_reflns_number_gt                321
_reflns_number_total             338
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10071h.txt
_cod_data_source_block           kgs1
_cod_original_sg_symbol_H-M      Pm-3n
_cod_database_code               7015771