The structure described by La(ErSe2)2 crystallizes in the tetragonal I-42d space group. Er(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. La(1) is bonded to eight equivalent Se(1) atoms to form distorted edge-sharing LaSe8 hexagonal bipyramids. Se(1) is bonded to four equivalent Er(1) and two equivalent La(1) atoms to form a mixture of distorted edge, face, and corner-sharing SeLa2Er4 octahedra. The corner-sharing octahedral tilt angles range from 15-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(ErSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   7.607
_cell_angle_alpha   109.256
_cell_angle_beta   109.256
_cell_angle_gamma   109.902
_symmetry_Int_Tables_number   1
_cell_volume   338.797
_cell_formula_units_Z   2
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  0.000  1.0
  La  La1  1  0.750  0.250  0.500  1.0
  Er  Er2  1  0.006  0.875  0.631  1.0
  Er  Er3  1  0.244  0.375  0.369  1.0
  Er  Er4  1  0.125  0.756  0.131  1.0
  Er  Er5  1  0.625  0.994  0.869  1.0
  Se  Se6  1  0.018  0.266  0.902  1.0
  Se  Se7  1  0.363  0.116  0.098  1.0
  Se  Se8  1  0.232  0.634  0.747  1.0
  Se  Se9  1  0.887  0.484  0.253  1.0
  Se  Se10  1  0.366  0.113  0.598  1.0
  Se  Se11  1  0.516  0.768  0.402  1.0
  Se  Se12  1  0.734  0.637  0.753  1.0
  Se  Se13  1  0.884  0.982  0.247  1.0
[/CIF]
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The structure described by La(ErSe2)2 crystallizes in the tetragonal I-42d space group. Er(1) is bonded in a 8-coordinate geometry to eight equivalent Se(1) atoms. La(1) is bonded to eight equivalent Se(1) atoms to form distorted edge-sharing LaSe8 hexagonal bipyramids. Se(1) is bonded to four equivalent Er(1) and two equivalent La(1) atoms to form a mixture of distorted edge, face, and corner-sharing SeLa2Er4 octahedra. The corner-sharing octahedral tilt angles range from 15-50°. is represented by the Crystallographic Information File (CIF) [CIF]
data_La(ErSe2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   7.607
_cell_angle_alpha   109.256
_cell_angle_beta   109.256
_cell_angle_gamma   109.902
_symmetry_Int_Tables_number   1
_cell_volume   338.797
_cell_formula_units_Z   2
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  0.000  1.0
  La  La1  1  0.750  0.250  0.500  1.0
  Er  Er2  1  0.006  0.875  0.631  1.0
  Er  Er3  1  0.244  0.375  0.369  1.0
  Er  Er4  1  0.125  0.756  0.131  1.0
  Er  Er5  1  0.625  0.994  0.869  1.0
  Se  Se6  1  0.018  0.266  0.902  1.0
  Se  Se7  1  0.363  0.116  0.098  1.0
  Se  Se8  1  0.232  0.634  0.747  1.0
  Se  Se9  1  0.887  0.484  0.253  1.0
  Se  Se10  1  0.366  0.113  0.598  1.0
  Se  Se11  1  0.516  0.768  0.402  1.0
  Se  Se12  1  0.734  0.637  0.753  1.0
  Se  Se13  1  0.884  0.982  0.247  1.0
[/CIF]
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