The compound described by HfMoSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Hf(1) is bonded in a body-centered cubic geometry to four equivalent Mo(1) and four equivalent Se(1) atoms. Mo(1) is bonded to four equivalent Hf(1) atoms to form distorted MoHf4 tetrahedra that share corners with four equivalent Se(1)Hf4 tetrahedra, corners with twelve equivalent Mo(1)Hf4 tetrahedra, and edges with six equivalent Se(1)Hf4 tetrahedra. Se(1) is bonded to four equivalent Hf(1) atoms to form distorted SeHf4 tetrahedra that share corners with four equivalent Mo(1)Hf4 tetrahedra, corners with twelve equivalent Se(1)Hf4 tetrahedra, and edges with six equivalent Mo(1)Hf4 tetrahedra. is represented by the CIF card [CIF]
data_HfMoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.494
_cell_length_b   4.494
_cell_length_c   4.494
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.197
_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
  Hf  Hf0  1  0.750  0.750  0.750  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.500  0.500  0.500  1.0
[/CIF]
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The compound described by HfMoSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Hf(1) is bonded in a body-centered cubic geometry to four equivalent Mo(1) and four equivalent Se(1) atoms. Mo(1) is bonded to four equivalent Hf(1) atoms to form distorted MoHf4 tetrahedra that share corners with four equivalent Se(1)Hf4 tetrahedra, corners with twelve equivalent Mo(1)Hf4 tetrahedra, and edges with six equivalent Se(1)Hf4 tetrahedra. Se(1) is bonded to four equivalent Hf(1) atoms to form distorted SeHf4 tetrahedra that share corners with four equivalent Mo(1)Hf4 tetrahedra, corners with twelve equivalent Se(1)Hf4 tetrahedra, and edges with six equivalent Mo(1)Hf4 tetrahedra. is represented by the CIF card [CIF]
data_HfMoSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.494
_cell_length_b   4.494
_cell_length_c   4.494
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   64.197
_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
  Hf  Hf0  1  0.750  0.750  0.750  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.500  0.500  0.500  1.0
[/CIF]
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