Synthesis, structure, and bonding of Eu3Bi(Sn,Bi)4. A rare inverse-Cr5B3-type structure with a new tin/bismuth network.
Ge, Ming-Hui; Corbett, John D.; Inorganic chemistry 46 (2007) 6864–6870; doi:10.1021/ic070281c

data_4339855
_publ_section_title
;
 Synthesis, structure, and bonding of Eu3Bi(Sn,Bi)4. A rare
 inverse-Cr5B3-type structure with a new tin/bismuth network.
;
_journal_issue                   17
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6864
_journal_page_last               6870
_journal_paper_doi               10.1021/ic070281c
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'Bi1.6 Eu3 Sn3.4'
_chemical_formula_weight         1193.12
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_atom_sites_solution_hydrogens   geom
_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            8
_cell_length_a                   8.8255(12)
_cell_length_b                   8.8255(12)
_cell_length_c                   12.564(3)
_cell_measurement_temperature    293(2)
_cell_volume                     978.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0288
_diffrn_reflns_av_sigmaI/netI    0.0173
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1990
_diffrn_reflns_theta_full        23.18
_diffrn_reflns_theta_max         23.18
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    55.905
_exptl_crystal_density_diffrn    8.098
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1966
_refine_diff_density_max         41.691
_refine_diff_density_min         -48.613
_refine_diff_density_rms         4.248
_refine_ls_extinction_coef       0.0002(3)
_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   2.496
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_refine_ls_number_reflns         202
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      2.496
_refine_ls_R_factor_all          0.2584
_refine_ls_R_factor_gt           0.2584
_refine_ls_shift/su_max          4.979
_refine_ls_shift/su_mean         1.191
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1359P)^2^+2415.6033P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.5202
_refine_ls_wR_factor_ref         0.5202
_reflns_number_gt                202
_reflns_number_total             202
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic070281c-file001.cif
_cod_data_source_block           Eu3Sn3.4Bi1.6
_cod_original_formula_sum        'Bi1.60 Eu3.00 Sn3.40'
_cod_database_code               4339855