The material described by In5Sb3 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 Sb(1) and four equivalent Sb(2) atoms to form corner-sharing InSb6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second In site, In(2) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent In(1) and eight equivalent In(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent In(1) and six equivalent In(2) atoms. is represented by the CIF file [CIF]
data_In5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.936
_cell_length_b   8.936
_cell_length_c   8.936
_cell_angle_alpha   125.567
_cell_angle_beta   125.567
_cell_angle_gamma   80.601
_symmetry_Int_Tables_number   1
_cell_volume   455.395
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.992  0.492  0.803  1.0
  In  In3  1  0.690  0.190  0.197  1.0
  In  In4  1  0.492  0.690  0.500  1.0
  In  In5  1  0.190  0.992  0.500  1.0
  In  In6  1  0.008  0.508  0.197  1.0
  In  In7  1  0.310  0.810  0.803  1.0
  In  In8  1  0.508  0.310  0.500  1.0
  In  In9  1  0.810  0.008  0.500  1.0
  Sb  Sb10  1  0.750  0.750  0.000  1.0
  Sb  Sb11  1  0.250  0.250  0.000  1.0
  Sb  Sb12  1  0.351  0.851  0.202  1.0
  Sb  Sb13  1  0.649  0.149  0.798  1.0
  Sb  Sb14  1  0.851  0.649  0.500  1.0
  Sb  Sb15  1  0.149  0.351  0.500  1.0
[/CIF]
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The material described by In5Sb3 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 Sb(1) and four equivalent Sb(2) atoms to form corner-sharing InSb6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second In site, In(2) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to two equivalent In(1) and eight equivalent In(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent In(1) and six equivalent In(2) atoms. is represented by the CIF file [CIF]
data_In5Sb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.936
_cell_length_b   8.936
_cell_length_c   8.936
_cell_angle_alpha   125.567
_cell_angle_beta   125.567
_cell_angle_gamma   80.601
_symmetry_Int_Tables_number   1
_cell_volume   455.395
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.500  0.500  0.000  1.0
  In  In2  1  0.992  0.492  0.803  1.0
  In  In3  1  0.690  0.190  0.197  1.0
  In  In4  1  0.492  0.690  0.500  1.0
  In  In5  1  0.190  0.992  0.500  1.0
  In  In6  1  0.008  0.508  0.197  1.0
  In  In7  1  0.310  0.810  0.803  1.0
  In  In8  1  0.508  0.310  0.500  1.0
  In  In9  1  0.810  0.008  0.500  1.0
  Sb  Sb10  1  0.750  0.750  0.000  1.0
  Sb  Sb11  1  0.250  0.250  0.000  1.0
  Sb  Sb12  1  0.351  0.851  0.202  1.0
  Sb  Sb13  1  0.649  0.149  0.798  1.0
  Sb  Sb14  1  0.851  0.649  0.500  1.0
  Sb  Sb15  1  0.149  0.351  0.500  1.0
[/CIF]
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