The material structure described by Ca(HoSe2)2 crystallizes in the monoclinic P2/m space group. Ca(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CaSe6 octahedra that share corners with six equivalent Ho(2)Se6 octahedra, edges with two equivalent Ca(1)Se6 octahedra, edges with two equivalent Ho(2)Se6 octahedra, and edges with four equivalent Ho(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form HoSe6 octahedra that share edges with two equivalent Ho(1)Se6 octahedra, edges with four equivalent Ca(1)Se6 octahedra, and edges with four equivalent Ho(2)Se6 octahedra. In the second Ho site, Ho(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form HoSe6 octahedra that share corners with six equivalent Ca(1)Se6 octahedra, edges with two equivalent Ca(1)Se6 octahedra, edges with two equivalent Ho(2)Se6 octahedra, and edges with four equivalent Ho(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ho(2), and two equivalent Ho(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Ca(1), one Ho(1), and two equivalent Ho(2) atoms to form a mixture of corner and edge-sharing SeCa2Ho3 square pyramids. is represented by the CIF card [CIF]
data_Ca(HoSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.107
_cell_length_b   7.003
_cell_length_c   7.181
_cell_angle_alpha   72.043
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.495
_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
  Ca  Ca0  1  0.500  0.000  0.500  1.0
  Ho  Ho1  1  0.000  0.000  0.000  1.0
  Ho  Ho2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.500  0.240  0.770  1.0
  Se  Se4  1  0.000  0.259  0.240  1.0
  Se  Se5  1  0.000  0.741  0.760  1.0
  Se  Se6  1  0.500  0.760  0.230  1.0
[/CIF]
.
The material structure described by Ca(HoSe2)2 crystallizes in the monoclinic P2/m space group. Ca(1) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form CaSe6 octahedra that share corners with six equivalent Ho(2)Se6 octahedra, edges with two equivalent Ca(1)Se6 octahedra, edges with two equivalent Ho(2)Se6 octahedra, and edges with four equivalent Ho(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are two inequivalent Ho sites. In the first Ho site, Ho(1) is bonded to two equivalent Se(2) and four equivalent Se(1) atoms to form HoSe6 octahedra that share edges with two equivalent Ho(1)Se6 octahedra, edges with four equivalent Ca(1)Se6 octahedra, and edges with four equivalent Ho(2)Se6 octahedra. In the second Ho site, Ho(2) is bonded to two equivalent Se(1) and four equivalent Se(2) atoms to form HoSe6 octahedra that share corners with six equivalent Ca(1)Se6 octahedra, edges with two equivalent Ca(1)Se6 octahedra, edges with two equivalent Ho(2)Se6 octahedra, and edges with four equivalent Ho(1)Se6 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Ho(2), and two equivalent Ho(1) atoms. In the second Se site, Se(2) is bonded to two equivalent Ca(1), one Ho(1), and two equivalent Ho(2) atoms to form a mixture of corner and edge-sharing SeCa2Ho3 square pyramids. is represented by the CIF card [CIF]
data_Ca(HoSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.107
_cell_length_b   7.003
_cell_length_c   7.181
_cell_angle_alpha   72.043
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   196.495
_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
  Ca  Ca0  1  0.500  0.000  0.500  1.0
  Ho  Ho1  1  0.000  0.000  0.000  1.0
  Ho  Ho2  1  0.500  0.500  0.000  1.0
  Se  Se3  1  0.500  0.240  0.770  1.0
  Se  Se4  1  0.000  0.259  0.240  1.0
  Se  Se5  1  0.000  0.741  0.760  1.0
  Se  Se6  1  0.500  0.760  0.230  1.0
[/CIF]
.