The crystal structure described by IrSi2P4 crystallizes in the monoclinic C2/m space group. Ir(1) is bonded to two equivalent Si(1) and four equivalent P(1) atoms to form IrSi2P4 octahedra that share corners with six equivalent Si(1)SiP2Ir tetrahedra and corners with twelve equivalent P(1)SiP2Ir tetrahedra. Si(1) is bonded to one Ir(1), one Si(1), and two equivalent P(1) atoms to form distorted SiSiP2Ir tetrahedra that share corners with three equivalent Ir(1)Si2P4 octahedra,  a cornercorner with one Si(1)SiP2Ir tetrahedra, and corners with ten equivalent P(1)SiP2Ir tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. P(1) is bonded to one Ir(1), one Si(1), and two equivalent P(1) atoms to form distorted PSiP2Ir tetrahedra that share corners with three equivalent Ir(1)Si2P4 octahedra, corners with five equivalent Si(1)SiP2Ir tetrahedra, and corners with six equivalent P(1)SiP2Ir tetrahedra. The corner-sharing octahedral tilt angles range from 52-72°. is represented by the CIF file [CIF]
data_Si2P4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.923
_cell_length_b   4.923
_cell_length_c   5.579
_cell_angle_alpha   71.269
_cell_angle_beta   71.269
_cell_angle_gamma   96.703
_symmetry_Int_Tables_number   1
_cell_volume   117.563
_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
  Si  Si0  1  0.587  0.587  0.139  1.0
  Si  Si1  1  0.413  0.413  0.861  1.0
  P  P2  1  0.710  0.161  0.343  1.0
  P  P3  1  0.839  0.290  0.657  1.0
  P  P4  1  0.161  0.710  0.343  1.0
  P  P5  1  0.290  0.839  0.657  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by IrSi2P4 crystallizes in the monoclinic C2/m space group. Ir(1) is bonded to two equivalent Si(1) and four equivalent P(1) atoms to form IrSi2P4 octahedra that share corners with six equivalent Si(1)SiP2Ir tetrahedra and corners with twelve equivalent P(1)SiP2Ir tetrahedra. Si(1) is bonded to one Ir(1), one Si(1), and two equivalent P(1) atoms to form distorted SiSiP2Ir tetrahedra that share corners with three equivalent Ir(1)Si2P4 octahedra,  a cornercorner with one Si(1)SiP2Ir tetrahedra, and corners with ten equivalent P(1)SiP2Ir tetrahedra. The corner-sharing octahedral tilt angles range from 52-70°. P(1) is bonded to one Ir(1), one Si(1), and two equivalent P(1) atoms to form distorted PSiP2Ir tetrahedra that share corners with three equivalent Ir(1)Si2P4 octahedra, corners with five equivalent Si(1)SiP2Ir tetrahedra, and corners with six equivalent P(1)SiP2Ir tetrahedra. The corner-sharing octahedral tilt angles range from 52-72°. is represented by the CIF file [CIF]
data_Si2P4Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.923
_cell_length_b   4.923
_cell_length_c   5.579
_cell_angle_alpha   71.269
_cell_angle_beta   71.269
_cell_angle_gamma   96.703
_symmetry_Int_Tables_number   1
_cell_volume   117.563
_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
  Si  Si0  1  0.587  0.587  0.139  1.0
  Si  Si1  1  0.413  0.413  0.861  1.0
  P  P2  1  0.710  0.161  0.343  1.0
  P  P3  1  0.839  0.290  0.657  1.0
  P  P4  1  0.161  0.710  0.343  1.0
  P  P5  1  0.290  0.839  0.657  1.0
  Ir  Ir6  1  0.000  0.000  0.000  1.0
[/CIF]
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