The structure described by Ba(Pt2As3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), and four equivalent As(1) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(3) is bonded to two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms to form PtAs6 octahedra that share corners with four equivalent Pt(2)Ba2As4 octahedra, corners with eight equivalent Pt(1)Ba2As4 octahedra, corners with two equivalent As(2)AsPt3 tetrahedra, and corners with two equivalent As(3)AsPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 60-65°. In the second Pt site, Pt(1) is bonded to two equivalent Ba(1), one As(2), one As(3), and two equivalent As(1) atoms to form PtBa2As4 octahedra that share corners with two equivalent Pt(2)Ba2As4 octahedra, corners with four equivalent Pt(3)As6 octahedra, corners with four equivalent Pt(1)Ba2As4 octahedra,  a cornercorner with one As(2)AsPt3 tetrahedra,  a cornercorner with one As(3)AsPt3 tetrahedra, edges with two equivalent Pt(1)Ba2As4 octahedra, and edges with two equivalent Pt(2)Ba2As4 octahedra. The corner-sharing octahedral tilt angles range from 22-109°. In the third Pt site, Pt(2) is bonded to two equivalent Ba(1), two equivalent As(2), and two equivalent As(3) atoms to form PtBa2As4 octahedra that share corners with two equivalent Pt(2)Ba2As4 octahedra, corners with four equivalent Pt(3)As6 octahedra, corners with four equivalent Pt(1)Ba2As4 octahedra, corners with two equivalent As(2)AsPt3 tetrahedra, corners with two equivalent As(3)AsPt3 tetrahedra, and edges with four equivalent Pt(1)Ba2As4 octahedra. The corner-sharing octahedral tilt angles range from 33-82°. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Pt(3), two equivalent Pt(1), and one As(1) atom. In the second As site, As(2) is bonded to one Pt(1), one Pt(2), one Pt(3), and one As(2) atom to form distorted AsAsPt3 tetrahedra that share  a cornercorner with one Pt(3)As6 octahedra,  a cornercorner with one Pt(1)Ba2As4 octahedra,  a cornercorner with one Pt(2)Ba2As4 octahedra, corners with two equivalent As(2)AsPt3 tetrahedra, and corners with five equivalent As(3)AsPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-78°. In the third As site, As(3) is bonded to one Pt(1), one Pt(2), one Pt(3), and one As(3) atom to form distorted AsAsPt3 tetrahedra that share  a cornercorner with one Pt(3)As6 octahedra,  a cornercorner with one Pt(1)Ba2As4 octahedra,  a cornercorner with one Pt(2)Ba2As4 octahedra, corners with two equivalent As(3)AsPt3 tetrahedra, and corners with five equivalent As(2)AsPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. is represented by the CIF card [CIF]
data_Ba(As3Pt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   6.071
_cell_length_c   12.071
_cell_angle_alpha   89.479
_cell_angle_beta   89.479
_cell_angle_gamma   87.464
_symmetry_Int_Tables_number   1
_cell_volume   444.419
_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
  Ba  Ba0  1  0.606  0.394  0.750  1.0
  Ba  Ba1  1  0.394  0.606  0.250  1.0
  As  As2  1  0.092  0.137  0.308  1.0
  As  As3  1  0.863  0.908  0.192  1.0
  As  As4  1  0.908  0.863  0.692  1.0
  As  As5  1  0.137  0.092  0.808  1.0
  As  As6  1  0.623  0.877  0.945  1.0
  As  As7  1  0.123  0.377  0.555  1.0
  As  As8  1  0.377  0.123  0.055  1.0
  As  As9  1  0.877  0.623  0.445  1.0
  As  As10  1  0.877  0.386  0.054  1.0
  As  As11  1  0.614  0.123  0.446  1.0
  As  As12  1  0.386  0.877  0.554  1.0
  As  As13  1  0.123  0.614  0.946  1.0
  Pt  Pt14  1  0.508  0.918  0.750  1.0
  Pt  Pt15  1  0.082  0.492  0.750  1.0
  Pt  Pt16  1  0.500  0.500  0.500  1.0
  Pt  Pt17  1  0.500  0.500  0.000  1.0
  Pt  Pt18  1  0.000  0.000  0.500  1.0
  Pt  Pt19  1  0.000  0.000  0.000  1.0
  Pt  Pt20  1  0.918  0.508  0.250  1.0
  Pt  Pt21  1  0.492  0.082  0.250  1.0
[/CIF]
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The structure described by Ba(Pt2As3)2 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 6-coordinate geometry to two equivalent Pt(2), four equivalent Pt(1), and four equivalent As(1) atoms. There are three inequivalent Pt sites. In the first Pt site, Pt(3) is bonded to two equivalent As(1), two equivalent As(2), and two equivalent As(3) atoms to form PtAs6 octahedra that share corners with four equivalent Pt(2)Ba2As4 octahedra, corners with eight equivalent Pt(1)Ba2As4 octahedra, corners with two equivalent As(2)AsPt3 tetrahedra, and corners with two equivalent As(3)AsPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 60-65°. In the second Pt site, Pt(1) is bonded to two equivalent Ba(1), one As(2), one As(3), and two equivalent As(1) atoms to form PtBa2As4 octahedra that share corners with two equivalent Pt(2)Ba2As4 octahedra, corners with four equivalent Pt(3)As6 octahedra, corners with four equivalent Pt(1)Ba2As4 octahedra,  a cornercorner with one As(2)AsPt3 tetrahedra,  a cornercorner with one As(3)AsPt3 tetrahedra, edges with two equivalent Pt(1)Ba2As4 octahedra, and edges with two equivalent Pt(2)Ba2As4 octahedra. The corner-sharing octahedral tilt angles range from 22-109°. In the third Pt site, Pt(2) is bonded to two equivalent Ba(1), two equivalent As(2), and two equivalent As(3) atoms to form PtBa2As4 octahedra that share corners with two equivalent Pt(2)Ba2As4 octahedra, corners with four equivalent Pt(3)As6 octahedra, corners with four equivalent Pt(1)Ba2As4 octahedra, corners with two equivalent As(2)AsPt3 tetrahedra, corners with two equivalent As(3)AsPt3 tetrahedra, and edges with four equivalent Pt(1)Ba2As4 octahedra. The corner-sharing octahedral tilt angles range from 33-82°. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), one Pt(3), two equivalent Pt(1), and one As(1) atom. In the second As site, As(2) is bonded to one Pt(1), one Pt(2), one Pt(3), and one As(2) atom to form distorted AsAsPt3 tetrahedra that share  a cornercorner with one Pt(3)As6 octahedra,  a cornercorner with one Pt(1)Ba2As4 octahedra,  a cornercorner with one Pt(2)Ba2As4 octahedra, corners with two equivalent As(2)AsPt3 tetrahedra, and corners with five equivalent As(3)AsPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-78°. In the third As site, As(3) is bonded to one Pt(1), one Pt(2), one Pt(3), and one As(3) atom to form distorted AsAsPt3 tetrahedra that share  a cornercorner with one Pt(3)As6 octahedra,  a cornercorner with one Pt(1)Ba2As4 octahedra,  a cornercorner with one Pt(2)Ba2As4 octahedra, corners with two equivalent As(3)AsPt3 tetrahedra, and corners with five equivalent As(2)AsPt3 tetrahedra. The corner-sharing octahedral tilt angles range from 74-77°. is represented by the CIF card [CIF]
data_Ba(As3Pt2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.071
_cell_length_b   6.071
_cell_length_c   12.071
_cell_angle_alpha   89.479
_cell_angle_beta   89.479
_cell_angle_gamma   87.464
_symmetry_Int_Tables_number   1
_cell_volume   444.419
_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
  Ba  Ba0  1  0.606  0.394  0.750  1.0
  Ba  Ba1  1  0.394  0.606  0.250  1.0
  As  As2  1  0.092  0.137  0.308  1.0
  As  As3  1  0.863  0.908  0.192  1.0
  As  As4  1  0.908  0.863  0.692  1.0
  As  As5  1  0.137  0.092  0.808  1.0
  As  As6  1  0.623  0.877  0.945  1.0
  As  As7  1  0.123  0.377  0.555  1.0
  As  As8  1  0.377  0.123  0.055  1.0
  As  As9  1  0.877  0.623  0.445  1.0
  As  As10  1  0.877  0.386  0.054  1.0
  As  As11  1  0.614  0.123  0.446  1.0
  As  As12  1  0.386  0.877  0.554  1.0
  As  As13  1  0.123  0.614  0.946  1.0
  Pt  Pt14  1  0.508  0.918  0.750  1.0
  Pt  Pt15  1  0.082  0.492  0.750  1.0
  Pt  Pt16  1  0.500  0.500  0.500  1.0
  Pt  Pt17  1  0.500  0.500  0.000  1.0
  Pt  Pt18  1  0.000  0.000  0.500  1.0
  Pt  Pt19  1  0.000  0.000  0.000  1.0
  Pt  Pt20  1  0.918  0.508  0.250  1.0
  Pt  Pt21  1  0.492  0.082  0.250  1.0
[/CIF]
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