The structure described by LiAgSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Ag(1) and four equivalent Se(1) atoms. Ag(1) is bonded to four equivalent Li(1) and six equivalent Se(1) atoms to form distorted AgLi4Se6 tetrahedra that share corners with four equivalent Se(1)Li4Ag6 tetrahedra, corners with six equivalent Ag(1)Li4Se6 tetrahedra, edges with six equivalent Se(1)Li4Ag6 tetrahedra, and faces with twelve equivalent Ag(1)Li4Se6 tetrahedra. Se(1) is bonded to four equivalent Li(1) and six equivalent Ag(1) atoms to form distorted SeLi4Ag6 tetrahedra that share corners with four equivalent Ag(1)Li4Se6 tetrahedra, corners with six equivalent Se(1)Li4Ag6 tetrahedra, edges with six equivalent Ag(1)Li4Se6 tetrahedra, and faces with twelve equivalent Se(1)Li4Ag6 tetrahedra. is represented by the CIF file [CIF]
data_LiAgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.295
_cell_length_b   4.295
_cell_length_c   4.295
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   56.039
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Ag  Ag1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by LiAgSe is half-Heusler structured and crystallizes in the cubic F-43m space group. Li(1) is bonded in a body-centered cubic geometry to four equivalent Ag(1) and four equivalent Se(1) atoms. Ag(1) is bonded to four equivalent Li(1) and six equivalent Se(1) atoms to form distorted AgLi4Se6 tetrahedra that share corners with four equivalent Se(1)Li4Ag6 tetrahedra, corners with six equivalent Ag(1)Li4Se6 tetrahedra, edges with six equivalent Se(1)Li4Ag6 tetrahedra, and faces with twelve equivalent Ag(1)Li4Se6 tetrahedra. Se(1) is bonded to four equivalent Li(1) and six equivalent Ag(1) atoms to form distorted SeLi4Ag6 tetrahedra that share corners with four equivalent Ag(1)Li4Se6 tetrahedra, corners with six equivalent Se(1)Li4Ag6 tetrahedra, edges with six equivalent Ag(1)Li4Se6 tetrahedra, and faces with twelve equivalent Se(1)Li4Ag6 tetrahedra. is represented by the CIF file [CIF]
data_LiAgSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.295
_cell_length_b   4.295
_cell_length_c   4.295
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   56.039
_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
  Li  Li0  1  0.250  0.250  0.250  1.0
  Ag  Ag1  1  0.500  0.500  0.500  1.0
  Se  Se2  1  0.000  0.000  0.000  1.0
[/CIF]
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