The crystal structure described by InSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. In(1) is bonded to twelve Sn(1,1) atoms to form InSn12 cuboctahedra that share corners with six equivalent In(1)Sn12 cuboctahedra; corners with twelve Sn(1,1)In4Sn8 cuboctahedra; edges with eighteen Sn(1,1)In4Sn8 cuboctahedra; faces with eight equivalent In(1)Sn12 cuboctahedra; and faces with twelve Sn(1,1)In4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent In(1) and eight Sn(1,1) atoms to form distorted SnIn4Sn8 cuboctahedra that share corners with four equivalent In(1)Sn12 cuboctahedra; corners with fourteen Sn(1,1)In4Sn8 cuboctahedra; edges with six equivalent In(1)Sn12 cuboctahedra; edges with twelve Sn(1,1)In4Sn8 cuboctahedra; faces with four equivalent In(1)Sn12 cuboctahedra; and faces with sixteen Sn(1,1)In4Sn8 cuboctahedra. In the second Sn site, Sn(1) is bonded to four equivalent In(1) and eight equivalent Sn(1) atoms to form distorted SnIn4Sn8 cuboctahedra that share corners with four equivalent In(1)Sn12 cuboctahedra; corners with fourteen Sn(1,1)In4Sn8 cuboctahedra; edges with six equivalent In(1)Sn12 cuboctahedra; edges with twelve equivalent Sn(1)In4Sn8 cuboctahedra; faces with four equivalent In(1)Sn12 cuboctahedra; and faces with sixteen Sn(1,1)In4Sn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.625
_cell_length_b   6.625
_cell_length_c   5.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   215.425
_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
  Sn  Sn2  1  0.165  0.330  0.250  1.0
  Sn  Sn3  1  0.670  0.835  0.250  1.0
  Sn  Sn4  1  0.165  0.835  0.250  1.0
  Sn  Sn5  1  0.835  0.670  0.750  1.0
  Sn  Sn6  1  0.330  0.165  0.750  1.0
  Sn  Sn7  1  0.835  0.165  0.750  1.0
[/CIF]
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The crystal structure described by InSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. In(1) is bonded to twelve Sn(1,1) atoms to form InSn12 cuboctahedra that share corners with six equivalent In(1)Sn12 cuboctahedra; corners with twelve Sn(1,1)In4Sn8 cuboctahedra; edges with eighteen Sn(1,1)In4Sn8 cuboctahedra; faces with eight equivalent In(1)Sn12 cuboctahedra; and faces with twelve Sn(1,1)In4Sn8 cuboctahedra. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent In(1) and eight Sn(1,1) atoms to form distorted SnIn4Sn8 cuboctahedra that share corners with four equivalent In(1)Sn12 cuboctahedra; corners with fourteen Sn(1,1)In4Sn8 cuboctahedra; edges with six equivalent In(1)Sn12 cuboctahedra; edges with twelve Sn(1,1)In4Sn8 cuboctahedra; faces with four equivalent In(1)Sn12 cuboctahedra; and faces with sixteen Sn(1,1)In4Sn8 cuboctahedra. In the second Sn site, Sn(1) is bonded to four equivalent In(1) and eight equivalent Sn(1) atoms to form distorted SnIn4Sn8 cuboctahedra that share corners with four equivalent In(1)Sn12 cuboctahedra; corners with fourteen Sn(1,1)In4Sn8 cuboctahedra; edges with six equivalent In(1)Sn12 cuboctahedra; edges with twelve equivalent Sn(1)In4Sn8 cuboctahedra; faces with four equivalent In(1)Sn12 cuboctahedra; and faces with sixteen Sn(1,1)In4Sn8 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_InSn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.625
_cell_length_b   6.625
_cell_length_c   5.667
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   215.425
_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
  Sn  Sn2  1  0.165  0.330  0.250  1.0
  Sn  Sn3  1  0.670  0.835  0.250  1.0
  Sn  Sn4  1  0.165  0.835  0.250  1.0
  Sn  Sn5  1  0.835  0.670  0.750  1.0
  Sn  Sn6  1  0.330  0.165  0.750  1.0
  Sn  Sn7  1  0.835  0.165  0.750  1.0
[/CIF]
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