The material structure described by CoP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Co(1) is bonded to six equivalent P(1) atoms to form CoP6 octahedra that share corners with six equivalent Co(1)P6 octahedra and corners with twelve equivalent P(1)Co2P2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded to two equivalent Co(1) and two equivalent P(1) atoms to form distorted PCo2P2 tetrahedra that share corners with four equivalent Co(1)P6 octahedra, corners with ten equivalent P(1)Co2P2 tetrahedra, and  an edgeedge with one P(1)Co2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 69-70°. is represented by the CIF file [CIF]
data_CoP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   6.654
_cell_length_c   6.654
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   226.769
_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  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  P  P4  1  0.507  0.855  0.652  1.0
  P  P5  1  0.203  0.855  0.348  1.0
  P  P6  1  0.797  0.145  0.652  1.0
  P  P7  1  0.145  0.348  0.493  1.0
  P  P8  1  0.493  0.145  0.348  1.0
  P  P9  1  0.145  0.652  0.797  1.0
  P  P10  1  0.348  0.203  0.855  1.0
  P  P11  1  0.855  0.652  0.507  1.0
  P  P12  1  0.652  0.797  0.145  1.0
  P  P13  1  0.855  0.348  0.203  1.0
  P  P14  1  0.652  0.507  0.855  1.0
  P  P15  1  0.348  0.493  0.145  1.0
[/CIF]
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The material structure described by CoP3 is Skutterudite structured and crystallizes in the cubic Im-3 space group. Co(1) is bonded to six equivalent P(1) atoms to form CoP6 octahedra that share corners with six equivalent Co(1)P6 octahedra and corners with twelve equivalent P(1)Co2P2 tetrahedra. The corner-sharing octahedral tilt angles are 60°. P(1) is bonded to two equivalent Co(1) and two equivalent P(1) atoms to form distorted PCo2P2 tetrahedra that share corners with four equivalent Co(1)P6 octahedra, corners with ten equivalent P(1)Co2P2 tetrahedra, and  an edgeedge with one P(1)Co2P2 tetrahedra. The corner-sharing octahedral tilt angles range from 69-70°. is represented by the CIF file [CIF]
data_CoP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.654
_cell_length_b   6.654
_cell_length_c   6.654
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   226.769
_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  0.500  0.000  0.000  1.0
  Co  Co1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.500  0.500  1.0
  P  P4  1  0.507  0.855  0.652  1.0
  P  P5  1  0.203  0.855  0.348  1.0
  P  P6  1  0.797  0.145  0.652  1.0
  P  P7  1  0.145  0.348  0.493  1.0
  P  P8  1  0.493  0.145  0.348  1.0
  P  P9  1  0.145  0.652  0.797  1.0
  P  P10  1  0.348  0.203  0.855  1.0
  P  P11  1  0.855  0.652  0.507  1.0
  P  P12  1  0.652  0.797  0.145  1.0
  P  P13  1  0.855  0.348  0.203  1.0
  P  P14  1  0.652  0.507  0.855  1.0
  P  P15  1  0.348  0.493  0.145  1.0
[/CIF]
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