The compound described by In5Bi3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form corner-sharing InBi6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent In(2), two equivalent Bi(1), and three equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 10-coordinate geometry to two equivalent In(1) and eight equivalent In(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent In(1) and six equivalent In(2) atoms. is represented by the CIF card [CIF]
data_In5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.993
_cell_length_b   8.993
_cell_length_c   8.993
_cell_angle_alpha   124.136
_cell_angle_beta   124.136
_cell_angle_gamma   82.974
_symmetry_Int_Tables_number   1
_cell_volume   478.179
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.500  0.500  0.000  1.0
  In  In1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.312  0.812  0.792  1.0
  In  In3  1  0.812  0.020  0.500  1.0
  In  In4  1  0.520  0.312  0.500  1.0
  In  In5  1  0.188  0.980  0.500  1.0
  In  In6  1  0.480  0.688  0.500  1.0
  In  In7  1  0.980  0.480  0.792  1.0
  In  In8  1  0.688  0.188  0.208  1.0
  In  In9  1  0.020  0.520  0.208  1.0
  Bi  Bi10  1  0.750  0.750  0.000  1.0
  Bi  Bi11  1  0.250  0.250  0.000  1.0
  Bi  Bi12  1  0.351  0.851  0.202  1.0
  Bi  Bi13  1  0.851  0.649  0.500  1.0
  Bi  Bi14  1  0.149  0.351  0.500  1.0
  Bi  Bi15  1  0.649  0.149  0.798  1.0
[/CIF]
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The compound described by In5Bi3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Bi(1) and four equivalent Bi(2) atoms to form corner-sharing InBi6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second In site, In(2) is bonded in a 9-coordinate geometry to four equivalent In(2), two equivalent Bi(1), and three equivalent Bi(2) atoms. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 10-coordinate geometry to two equivalent In(1) and eight equivalent In(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to two equivalent In(1) and six equivalent In(2) atoms. is represented by the CIF card [CIF]
data_In5Bi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.993
_cell_length_b   8.993
_cell_length_c   8.993
_cell_angle_alpha   124.136
_cell_angle_beta   124.136
_cell_angle_gamma   82.974
_symmetry_Int_Tables_number   1
_cell_volume   478.179
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  In  In0  1  0.500  0.500  0.000  1.0
  In  In1  1  0.000  0.000  0.000  1.0
  In  In2  1  0.312  0.812  0.792  1.0
  In  In3  1  0.812  0.020  0.500  1.0
  In  In4  1  0.520  0.312  0.500  1.0
  In  In5  1  0.188  0.980  0.500  1.0
  In  In6  1  0.480  0.688  0.500  1.0
  In  In7  1  0.980  0.480  0.792  1.0
  In  In8  1  0.688  0.188  0.208  1.0
  In  In9  1  0.020  0.520  0.208  1.0
  Bi  Bi10  1  0.750  0.750  0.000  1.0
  Bi  Bi11  1  0.250  0.250  0.000  1.0
  Bi  Bi12  1  0.351  0.851  0.202  1.0
  Bi  Bi13  1  0.851  0.649  0.500  1.0
  Bi  Bi14  1  0.149  0.351  0.500  1.0
  Bi  Bi15  1  0.649  0.149  0.798  1.0
[/CIF]
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