The compound described by Pt5InAs crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to two equivalent Pt(2), two equivalent In(1), and two equivalent As(1) atoms. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent In(1) atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with four equivalent Pt(2)In4Pt8 cuboctahedra, faces with four equivalent Pt(2)In4Pt8 cuboctahedra, and faces with four equivalent In(1)Pt12 cuboctahedra. In(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form InPt12 cuboctahedra that share corners with four equivalent In(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)In4Pt8 cuboctahedra, and faces with four equivalent In(1)Pt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAsPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.028
_cell_length_b   4.028
_cell_length_c   7.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.197
_cell_formula_units_Z   1
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
  As  As1  1  0.000  0.000  0.500  1.0
  Pt  Pt2  1  0.000  0.500  0.286  1.0
  Pt  Pt3  1  0.000  0.500  0.714  1.0
  Pt  Pt4  1  0.500  0.000  0.286  1.0
  Pt  Pt5  1  0.500  0.000  0.714  1.0
  Pt  Pt6  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Pt5InAs crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a 4-coordinate geometry to two equivalent Pt(2), two equivalent In(1), and two equivalent As(1) atoms. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent In(1) atoms to form distorted PtIn4Pt8 cuboctahedra that share corners with four equivalent Pt(2)In4Pt8 cuboctahedra, faces with four equivalent Pt(2)In4Pt8 cuboctahedra, and faces with four equivalent In(1)Pt12 cuboctahedra. In(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form InPt12 cuboctahedra that share corners with four equivalent In(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)In4Pt8 cuboctahedra, and faces with four equivalent In(1)Pt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_InAsPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.028
_cell_length_b   4.028
_cell_length_c   7.101
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   115.197
_cell_formula_units_Z   1
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
  As  As1  1  0.000  0.000  0.500  1.0
  Pt  Pt2  1  0.000  0.500  0.286  1.0
  Pt  Pt3  1  0.000  0.500  0.714  1.0
  Pt  Pt4  1  0.500  0.000  0.286  1.0
  Pt  Pt5  1  0.500  0.000  0.714  1.0
  Pt  Pt6  1  0.000  0.000  0.000  1.0
[/CIF]
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