The material described by ScIrP crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Ir(1), one P(2), and four equivalent P(1) atoms. Ir(1) is bonded to six equivalent Sc(1), two equivalent Ir(1), two equivalent P(1), and two equivalent P(2) atoms to form a mixture of distorted face, corner, and edge-sharing IrSc6P4Ir2 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Ir(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_ScPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   3.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   136.525
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.000  0.419  0.500  1.0
  Sc  Sc1  1  0.581  0.581  0.500  1.0
  Sc  Sc2  1  0.419  0.000  0.500  1.0
  P  P3  1  0.667  0.333  0.000  1.0
  P  P4  1  0.333  0.667  0.000  1.0
  P  P5  1  0.000  0.000  0.500  1.0
  Ir  Ir6  1  0.000  0.750  0.000  1.0
  Ir  Ir7  1  0.250  0.250  0.000  1.0
  Ir  Ir8  1  0.750  0.000  0.000  1.0
[/CIF]
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The material described by ScIrP crystallizes in the hexagonal P-62m space group. Sc(1) is bonded in a 11-coordinate geometry to six equivalent Ir(1), one P(2), and four equivalent P(1) atoms. Ir(1) is bonded to six equivalent Sc(1), two equivalent Ir(1), two equivalent P(1), and two equivalent P(2) atoms to form a mixture of distorted face, corner, and edge-sharing IrSc6P4Ir2 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Sc(1) and three equivalent Ir(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Sc(1) and six equivalent Ir(1) atoms. is represented by the CIF card [CIF]
data_ScPIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.346
_cell_length_b   6.346
_cell_length_c   3.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   136.525
_cell_formula_units_Z   3
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
  Sc  Sc0  1  0.000  0.419  0.500  1.0
  Sc  Sc1  1  0.581  0.581  0.500  1.0
  Sc  Sc2  1  0.419  0.000  0.500  1.0
  P  P3  1  0.667  0.333  0.000  1.0
  P  P4  1  0.333  0.667  0.000  1.0
  P  P5  1  0.000  0.000  0.500  1.0
  Ir  Ir6  1  0.000  0.750  0.000  1.0
  Ir  Ir7  1  0.250  0.250  0.000  1.0
  Ir  Ir8  1  0.750  0.000  0.000  1.0
[/CIF]
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