The material described by Pt5ZnAs 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 Zn(1), and two equivalent As(1) atoms. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent Zn(1) atoms to form distorted PtZn4Pt8 cuboctahedra that share corners with four equivalent Pt(2)Zn4Pt8 cuboctahedra, faces with four equivalent Pt(2)Zn4Pt8 cuboctahedra, and faces with four equivalent Zn(1)Pt12 cuboctahedra. Zn(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form ZnPt12 cuboctahedra that share corners with four equivalent Zn(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)Zn4Pt8 cuboctahedra, and faces with four equivalent Zn(1)Pt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_ZnAsPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.926
_cell_length_b   3.926
_cell_length_c   7.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.989
_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
  Zn  Zn0  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  0.275  1.0
  Pt  Pt3  1  0.000  0.500  0.725  1.0
  Pt  Pt4  1  0.500  0.000  0.275  1.0
  Pt  Pt5  1  0.500  0.000  0.725  1.0
  Pt  Pt6  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Pt5ZnAs 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 Zn(1), and two equivalent As(1) atoms. In the second Pt site, Pt(2) is bonded to eight equivalent Pt(1) and four equivalent Zn(1) atoms to form distorted PtZn4Pt8 cuboctahedra that share corners with four equivalent Pt(2)Zn4Pt8 cuboctahedra, faces with four equivalent Pt(2)Zn4Pt8 cuboctahedra, and faces with four equivalent Zn(1)Pt12 cuboctahedra. Zn(1) is bonded to four equivalent Pt(2) and eight equivalent Pt(1) atoms to form ZnPt12 cuboctahedra that share corners with four equivalent Zn(1)Pt12 cuboctahedra, faces with four equivalent Pt(2)Zn4Pt8 cuboctahedra, and faces with four equivalent Zn(1)Pt12 cuboctahedra. As(1) is bonded in a body-centered cubic geometry to eight equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_ZnAsPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.926
_cell_length_b   3.926
_cell_length_c   7.137
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   109.989
_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
  Zn  Zn0  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  0.275  1.0
  Pt  Pt3  1  0.000  0.500  0.725  1.0
  Pt  Pt4  1  0.500  0.000  0.275  1.0
  Pt  Pt5  1  0.500  0.000  0.725  1.0
  Pt  Pt6  1  0.000  0.000  0.000  1.0
[/CIF]
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