The crystal structure described by HfOsAs crystallizes in the hexagonal P-62m space group. Hf(1) is bonded in a 11-coordinate geometry to six equivalent Os(1), one As(2), and four equivalent As(1) atoms. Os(1) is bonded to six equivalent Hf(1), two equivalent Os(1), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted edge, face, and corner-sharing OsHf6As4Os2 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to six equivalent Hf(1) and three equivalent Os(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Os(1) atoms. is represented by the CIF card [CIF]
data_HfAsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.592
_cell_length_b   6.592
_cell_length_c   3.982
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   149.846
_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
  Hf  Hf0  1  0.420  0.420  0.500  1.0
  Hf  Hf1  1  0.580  0.000  0.500  1.0
  Hf  Hf2  1  0.000  0.580  0.500  1.0
  As  As3  1  0.667  0.333  0.000  1.0
  As  As4  1  0.333  0.667  0.000  1.0
  As  As5  1  0.000  0.000  0.500  1.0
  Os  Os6  1  0.753  0.753  0.000  1.0
  Os  Os7  1  0.247  0.000  0.000  1.0
  Os  Os8  1  0.000  0.247  0.000  1.0
[/CIF]
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The crystal structure described by HfOsAs crystallizes in the hexagonal P-62m space group. Hf(1) is bonded in a 11-coordinate geometry to six equivalent Os(1), one As(2), and four equivalent As(1) atoms. Os(1) is bonded to six equivalent Hf(1), two equivalent Os(1), two equivalent As(1), and two equivalent As(2) atoms to form a mixture of distorted edge, face, and corner-sharing OsHf6As4Os2 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 9-coordinate geometry to six equivalent Hf(1) and three equivalent Os(1) atoms. In the second As site, As(2) is bonded in a 9-coordinate geometry to three equivalent Hf(1) and six equivalent Os(1) atoms. is represented by the CIF card [CIF]
data_HfAsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.592
_cell_length_b   6.592
_cell_length_c   3.982
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   149.846
_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
  Hf  Hf0  1  0.420  0.420  0.500  1.0
  Hf  Hf1  1  0.580  0.000  0.500  1.0
  Hf  Hf2  1  0.000  0.580  0.500  1.0
  As  As3  1  0.667  0.333  0.000  1.0
  As  As4  1  0.333  0.667  0.000  1.0
  As  As5  1  0.000  0.000  0.500  1.0
  Os  Os6  1  0.753  0.753  0.000  1.0
  Os  Os7  1  0.247  0.000  0.000  1.0
  Os  Os8  1  0.000  0.247  0.000  1.0
[/CIF]
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