The crystal structure described by In2Sb crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent In(2) and five equivalent Sb(1) atoms to form InIn6Sb5 trigonal bipyramids that share corners with eight equivalent In(1)In6Sb5 trigonal bipyramids, corners with twelve equivalent Sb(1)In11 trigonal bipyramids, edges with three equivalent Sb(1)In11 trigonal bipyramids, faces with five equivalent Sb(1)In11 trigonal bipyramids, and faces with twelve equivalent In(1)In6Sb5 trigonal bipyramids. In the second In site, In(2) is bonded in a 14-coordinate geometry to two equivalent In(2), six equivalent In(1), and six equivalent Sb(1) atoms. Sb(1) is bonded to five equivalent In(1) and six equivalent In(2) atoms to form distorted SbIn11 trigonal bipyramids that share corners with eight equivalent Sb(1)In11 trigonal bipyramids, corners with twelve equivalent In(1)In6Sb5 trigonal bipyramids, edges with three equivalent In(1)In6Sb5 trigonal bipyramids, faces with five equivalent In(1)In6Sb5 trigonal bipyramids, and faces with twelve equivalent Sb(1)In11 trigonal bipyramids. is represented by the CIF card [CIF]
data_In2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.380
_cell_length_c   6.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.505
_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  0.333  0.667  0.750  1.0
  In  In1  1  0.667  0.333  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.000  0.000  0.500  1.0
  Sb  Sb4  1  0.333  0.667  0.250  1.0
  Sb  Sb5  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by In2Sb crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent In(2) and five equivalent Sb(1) atoms to form InIn6Sb5 trigonal bipyramids that share corners with eight equivalent In(1)In6Sb5 trigonal bipyramids, corners with twelve equivalent Sb(1)In11 trigonal bipyramids, edges with three equivalent Sb(1)In11 trigonal bipyramids, faces with five equivalent Sb(1)In11 trigonal bipyramids, and faces with twelve equivalent In(1)In6Sb5 trigonal bipyramids. In the second In site, In(2) is bonded in a 14-coordinate geometry to two equivalent In(2), six equivalent In(1), and six equivalent Sb(1) atoms. Sb(1) is bonded to five equivalent In(1) and six equivalent In(2) atoms to form distorted SbIn11 trigonal bipyramids that share corners with eight equivalent Sb(1)In11 trigonal bipyramids, corners with twelve equivalent In(1)In6Sb5 trigonal bipyramids, edges with three equivalent In(1)In6Sb5 trigonal bipyramids, faces with five equivalent In(1)In6Sb5 trigonal bipyramids, and faces with twelve equivalent Sb(1)In11 trigonal bipyramids. is represented by the CIF card [CIF]
data_In2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.380
_cell_length_b   5.380
_cell_length_c   6.723
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   168.505
_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  0.333  0.667  0.750  1.0
  In  In1  1  0.667  0.333  0.250  1.0
  In  In2  1  0.000  0.000  0.000  1.0
  In  In3  1  0.000  0.000  0.500  1.0
  Sb  Sb4  1  0.333  0.667  0.250  1.0
  Sb  Sb5  1  0.667  0.333  0.750  1.0
[/CIF]
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