The crystal structure described by ErLaSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Er(1) is bonded to six equivalent Se(1) atoms to form ErSe6 octahedra that share corners with six equivalent La(1)Se6 octahedra, edges with six equivalent Er(1)Se6 octahedra, and edges with six equivalent La(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. La(1) is bonded to six equivalent Se(1) atoms to form LaSe6 octahedra that share corners with six equivalent Er(1)Se6 octahedra, edges with six equivalent Er(1)Se6 octahedra, and edges with six equivalent La(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. Se(1) is bonded to three equivalent Er(1) and three equivalent La(1) atoms to form a mixture of corner and edge-sharing SeLa3Er3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LaErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.392
_cell_length_b   7.392
_cell_length_c   7.392
_cell_angle_alpha   32.244
_cell_angle_beta   32.244
_cell_angle_gamma   32.244
_symmetry_Int_Tables_number   1
_cell_volume   102.193
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Er  Er1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.258  0.258  0.258  1.0
  Se  Se3  1  0.742  0.742  0.742  1.0
[/CIF]
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The crystal structure described by ErLaSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Er(1) is bonded to six equivalent Se(1) atoms to form ErSe6 octahedra that share corners with six equivalent La(1)Se6 octahedra, edges with six equivalent Er(1)Se6 octahedra, and edges with six equivalent La(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. La(1) is bonded to six equivalent Se(1) atoms to form LaSe6 octahedra that share corners with six equivalent Er(1)Se6 octahedra, edges with six equivalent Er(1)Se6 octahedra, and edges with six equivalent La(1)Se6 octahedra. The corner-sharing octahedral tilt angles are 5°. Se(1) is bonded to three equivalent Er(1) and three equivalent La(1) atoms to form a mixture of corner and edge-sharing SeLa3Er3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_LaErSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.392
_cell_length_b   7.392
_cell_length_c   7.392
_cell_angle_alpha   32.244
_cell_angle_beta   32.244
_cell_angle_gamma   32.244
_symmetry_Int_Tables_number   1
_cell_volume   102.193
_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
  La  La0  1  0.500  0.500  0.500  1.0
  Er  Er1  1  0.000  0.000  0.000  1.0
  Se  Se2  1  0.258  0.258  0.258  1.0
  Se  Se3  1  0.742  0.742  0.742  1.0
[/CIF]
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