High-Pressure Synthesis and Transport Properties of a New Binary Germanide, SrGe6-δ (δ ~ 0.5), with a Cagelike Structure
Hiroshi Fukuoka; Shoji Yamanaka; Eiichi Matsuoka; Toshiro Takabatake; Inorganic Chemistry 44 (2005) 1460–1465; doi:10.1021/ic0485615

data_4308712
_publ_contact_author_email       hfukuoka@hiroshima-u.ac.jp
_publ_contact_author_fax         +81-82-424-5494
_publ_contact_author_name        'Hiroshi Fukuoka'
_publ_contact_author_phone       +81-82-424-7742
_publ_section_title
;
High-Pressure Synthesis and Transport Properties of a New Binary Germanide,
SrGe6-\d (\d ~ 0.5), with a Cagelike Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1460
_journal_page_last               1465
_journal_paper_doi               10.1021/ic0485615
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'Ge5.60 Sr '
_chemical_formula_sum            'Ge5.6 Sr'
_chemical_formula_weight         491.50
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_audit_creation_date             2004-10-12
_audit_creation_method           'by CrystalStructure v3.10'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.0981(6)
_cell_length_b                   11.159(1)
_cell_length_c                   12.6825(8)
_cell_measurement_reflns_used    7258
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.2
_cell_volume                     579.98(11)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9928
_diffrn_measured_fraction_theta_max 0.9928
_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  0.039
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7127
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_exptl_absorpt_coefficient_mu    37.071
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.425
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             863.68
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.29
_refine_diff_density_min         -1.10
_refine_ls_extinction_coef       1.93(8)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.616
_refine_ls_number_parameters     27
_refine_ls_number_reflns         288
_refine_ls_R_factor_gt           0.0190
_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         0.0100
_reflns_number_gt                288
_reflns_number_total             396
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic0485615si20041014_094255.cif
_cod_data_source_block           '_SrGe56______________'
_cod_original_cell_volume        580.0(1)
_cod_original_formula_sum        'Ge5.60 Sr '
_cod_database_code               4308712