The structure described by HoCuSe2 crystallizes in the trigonal P-3m1 space group. Ho(1) is bonded to six equivalent Se(1) atoms to form distorted HoSe6 octahedra that share corners with twelve equivalent Cu(1)Se6 octahedra, edges with six equivalent Ho(1)Se6 octahedra, and faces with two equivalent Cu(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 49°. Cu(1) is bonded to six equivalent Se(1) atoms to form distorted CuSe6 octahedra that share corners with twelve equivalent Ho(1)Se6 octahedra, edges with six equivalent Cu(1)Se6 octahedra, and faces with two equivalent Ho(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 49°. Se(1) is bonded in a 6-coordinate geometry to three equivalent Ho(1) and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.968
_cell_length_b   3.968
_cell_length_c   6.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   86.393
_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
  Ho  Ho0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.333  0.667  0.231  1.0
  Se  Se3  1  0.667  0.333  0.769  1.0
[/CIF]
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The structure described by HoCuSe2 crystallizes in the trigonal P-3m1 space group. Ho(1) is bonded to six equivalent Se(1) atoms to form distorted HoSe6 octahedra that share corners with twelve equivalent Cu(1)Se6 octahedra, edges with six equivalent Ho(1)Se6 octahedra, and faces with two equivalent Cu(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 49°. Cu(1) is bonded to six equivalent Se(1) atoms to form distorted CuSe6 octahedra that share corners with twelve equivalent Ho(1)Se6 octahedra, edges with six equivalent Cu(1)Se6 octahedra, and faces with two equivalent Ho(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 49°. Se(1) is bonded in a 6-coordinate geometry to three equivalent Ho(1) and three equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_HoCuSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.968
_cell_length_b   3.968
_cell_length_c   6.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   86.393
_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
  Ho  Ho0  1  0.000  0.000  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.333  0.667  0.231  1.0
  Se  Se3  1  0.667  0.333  0.769  1.0
[/CIF]
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