The material structure described by Pt2Co is Pyrite structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Pt(1,2) atoms to form corner-sharing CoPt6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the second Co site, Co(2) is bonded to six equivalent Pt(1,2) atoms to form corner-sharing CoPt6 octahedra. The corner-sharing octahedral tilt angles are 62°. Pt(1,2) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.812
_cell_length_c   5.812
_cell_angle_alpha   89.994
_cell_angle_beta   90.042
_cell_angle_gamma   90.040
_symmetry_Int_Tables_number   1
_cell_volume   196.366
_cell_formula_units_Z   4
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
  Co  Co0  1  1.000  0.500  0.500  1.0
  Co  Co1  1  0.500  0.500  1.000  1.0
  Co  Co2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Pt  Pt4  1  0.371  0.131  0.870  1.0
  Pt  Pt5  1  0.131  0.870  0.371  1.0
  Pt  Pt6  1  0.870  0.371  0.131  1.0
  Pt  Pt7  1  0.630  0.630  0.631  1.0
  Pt  Pt8  1  0.370  0.370  0.369  1.0
  Pt  Pt9  1  0.130  0.629  0.869  1.0
  Pt  Pt10  1  0.869  0.130  0.629  1.0
  Pt  Pt11  1  0.629  0.869  0.130  1.0
[/CIF]
.
The material structure described by Pt2Co is Pyrite structured and crystallizes in the trigonal R-3 space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent Pt(1,2) atoms to form corner-sharing CoPt6 octahedra. The corner-sharing octahedral tilt angles are 62°. In the second Co site, Co(2) is bonded to six equivalent Pt(1,2) atoms to form corner-sharing CoPt6 octahedra. The corner-sharing octahedral tilt angles are 62°. Pt(1,2) is bonded in a distorted trigonal planar geometry to one Co(2) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.813
_cell_length_b   5.812
_cell_length_c   5.812
_cell_angle_alpha   89.994
_cell_angle_beta   90.042
_cell_angle_gamma   90.040
_symmetry_Int_Tables_number   1
_cell_volume   196.366
_cell_formula_units_Z   4
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
  Co  Co0  1  1.000  0.500  0.500  1.0
  Co  Co1  1  0.500  0.500  1.000  1.0
  Co  Co2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Pt  Pt4  1  0.371  0.131  0.870  1.0
  Pt  Pt5  1  0.131  0.870  0.371  1.0
  Pt  Pt6  1  0.870  0.371  0.131  1.0
  Pt  Pt7  1  0.630  0.630  0.631  1.0
  Pt  Pt8  1  0.370  0.370  0.369  1.0
  Pt  Pt9  1  0.130  0.629  0.869  1.0
  Pt  Pt10  1  0.869  0.130  0.629  1.0
  Pt  Pt11  1  0.629  0.869  0.130  1.0
[/CIF]
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