The material structure described by ZrOsP crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to six equivalent Os(1), one P(2), and four equivalent P(1) atoms. Os(1) is bonded to six equivalent Zr(1), two equivalent Os(1), two equivalent P(1), and two equivalent P(2) atoms to form a mixture of distorted face, corner, and edge-sharing OsZr6P4Os2 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Os(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Os(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.850
_cell_length_b   6.396
_cell_length_c   6.396
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.403
_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
  Zr  Zr0  1  0.500  0.583  0.000  1.0
  Zr  Zr1  1  0.500  0.416  0.416  1.0
  Zr  Zr2  1  0.500  0.000  0.584  1.0
  P  P3  1  0.000  0.333  0.667  1.0
  P  P4  1  0.000  0.667  0.333  1.0
  P  P5  1  0.500  1.000  0.000  1.0
  Os  Os6  1  0.000  0.247  0.000  1.0
  Os  Os7  1  0.000  0.754  0.753  1.0
  Os  Os8  1  0.000  0.000  0.247  1.0
[/CIF]
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The material structure described by ZrOsP crystallizes in the hexagonal P-62m space group. Zr(1) is bonded in a 11-coordinate geometry to six equivalent Os(1), one P(2), and four equivalent P(1) atoms. Os(1) is bonded to six equivalent Zr(1), two equivalent Os(1), two equivalent P(1), and two equivalent P(2) atoms to form a mixture of distorted face, corner, and edge-sharing OsZr6P4Os2 cuboctahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to six equivalent Zr(1) and three equivalent Os(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Zr(1) and six equivalent Os(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZrPOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.850
_cell_length_b   6.396
_cell_length_c   6.396
_cell_angle_alpha   120.002
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   136.403
_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
  Zr  Zr0  1  0.500  0.583  0.000  1.0
  Zr  Zr1  1  0.500  0.416  0.416  1.0
  Zr  Zr2  1  0.500  0.000  0.584  1.0
  P  P3  1  0.000  0.333  0.667  1.0
  P  P4  1  0.000  0.667  0.333  1.0
  P  P5  1  0.500  1.000  0.000  1.0
  Os  Os6  1  0.000  0.247  0.000  1.0
  Os  Os7  1  0.000  0.754  0.753  1.0
  Os  Os8  1  0.000  0.000  0.247  1.0
[/CIF]
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