The structure described by SiP2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Si(1) is bonded to six equivalent P(1) atoms to form SiP6 octahedra that share corners with twelve equivalent Si(1)P6 octahedra and corners with six equivalent P(1)Si3P tetrahedra. The corner-sharing octahedral tilt angles are 66°. P(1) is bonded to three equivalent Si(1) and one P(1) atom to form PSi3P tetrahedra that share corners with three equivalent Si(1)P6 octahedra and corners with fifteen equivalent P(1)Si3P tetrahedra. The corner-sharing octahedral tilt angles are 76°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   5.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.215
_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
  Si  Si0  1  0.000  0.500  0.500  1.0
  Si  Si1  1  0.500  0.500  0.000  1.0
  Si  Si2  1  0.500  0.000  0.500  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.608  0.608  0.608  1.0
  P  P5  1  0.892  0.392  0.108  1.0
  P  P6  1  0.108  0.892  0.392  1.0
  P  P7  1  0.392  0.108  0.892  1.0
  P  P8  1  0.608  0.892  0.108  1.0
  P  P9  1  0.892  0.108  0.608  1.0
  P  P10  1  0.108  0.608  0.892  1.0
  P  P11  1  0.392  0.392  0.392  1.0
[/CIF]
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The structure described by SiP2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. Si(1) is bonded to six equivalent P(1) atoms to form SiP6 octahedra that share corners with twelve equivalent Si(1)P6 octahedra and corners with six equivalent P(1)Si3P tetrahedra. The corner-sharing octahedral tilt angles are 66°. P(1) is bonded to three equivalent Si(1) and one P(1) atom to form PSi3P tetrahedra that share corners with three equivalent Si(1)P6 octahedra and corners with fifteen equivalent P(1)Si3P tetrahedra. The corner-sharing octahedral tilt angles are 76°. is represented by the Crystallographic Information File (CIF) [CIF]
data_SiP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.721
_cell_length_c   5.721
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   187.215
_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
  Si  Si0  1  0.000  0.500  0.500  1.0
  Si  Si1  1  0.500  0.500  0.000  1.0
  Si  Si2  1  0.500  0.000  0.500  1.0
  Si  Si3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.608  0.608  0.608  1.0
  P  P5  1  0.892  0.392  0.108  1.0
  P  P6  1  0.108  0.892  0.392  1.0
  P  P7  1  0.392  0.108  0.892  1.0
  P  P8  1  0.608  0.892  0.108  1.0
  P  P9  1  0.892  0.108  0.608  1.0
  P  P10  1  0.108  0.608  0.892  1.0
  P  P11  1  0.392  0.392  0.392  1.0
[/CIF]
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