Superconductivity of Metal Deficient Silicon Clathrate Compounds, Ba8-xSi46 (0 < x <= 1.4)
Hiroshi Fukuoka; Junichi Kiyoto; Shoji Yamanaka; Inorganic Chemistry 42 (2003) 2933–2937; doi:10.1021/ic020676q

data_4313537
_publ_contact_author_email       hfukuoka@hiroshima-u.ac.jp
_publ_contact_author_fax         +81-824-24-5494
_publ_contact_author_name        'Hiroshi Fukuoka'
_publ_contact_author_phone       +81-824-24-7742
_publ_section_title
;
 Superconductivity of Metal Deficient Silicon Clathrate Compounds,
 Ba8-xSi46 (0 < x <= 1.4)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2933
_journal_page_last               2937
_journal_paper_doi               10.1021/ic020676q
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'Ba6.63 Si46 '
_chemical_formula_sum            'Ba6.63 Si46'
_chemical_formula_weight         2202.43
_space_group_IT_number           223
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.2652(8)
_cell_length_b                   10.2652(8)
_cell_length_c                   10.2652(8)
_cell_measurement_reflns_used    15316
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.8
_cell_volume                     1081.69(15)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.083
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6728
_diffrn_reflns_theta_full        27.42
_diffrn_reflns_theta_max         27.42
_exptl_absorpt_coefficient_mu    72.29
_exptl_absorpt_correction_T_max  0.430
_exptl_absorpt_correction_T_min  0.285
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
    Higashi, T. (1999). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.381
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1015.28
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.63
_refine_diff_density_min         -1.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.660
_refine_ls_number_parameters     16
_refine_ls_number_reflns         196
_refine_ls_R_factor_gt           0.0230
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(Fo)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0110
_reflns_number_gt                196
_reflns_number_total             286
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic020676q_1.cif
_cod_data_source_block           '_010728f__________________'
_cod_original_cell_volume        1081.7(1)
_cod_original_formula_sum        'Ba6.63 Si46 '
_cod_database_code               4313537