The structure described by LaSe2 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 7-coordinate geometry to three equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to four equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SeLa4 tetrahedra. In the second Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_LaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.415
_cell_length_b   4.548
_cell_length_c   9.512
_cell_angle_alpha   71.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.967
_cell_formula_units_Z   4
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  0.772  0.619  0.094  1.0
  La  La1  1  0.272  0.381  0.406  1.0
  La  La2  1  0.228  0.381  0.906  1.0
  La  La3  1  0.728  0.619  0.594  1.0
  Se  Se4  1  0.512  0.071  0.117  1.0
  Se  Se5  1  0.012  0.929  0.383  1.0
  Se  Se6  1  0.488  0.929  0.883  1.0
  Se  Se7  1  0.988  0.071  0.617  1.0
  Se  Se8  1  0.626  0.286  0.389  1.0
  Se  Se9  1  0.126  0.714  0.111  1.0
  Se  Se10  1  0.374  0.714  0.611  1.0
  Se  Se11  1  0.874  0.286  0.889  1.0
[/CIF]
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The structure described by LaSe2 crystallizes in the monoclinic P2_1/c space group. La(1) is bonded in a 7-coordinate geometry to three equivalent Se(1) and four equivalent Se(2) atoms. There are two inequivalent Se sites. In the first Se site, Se(2) is bonded to four equivalent La(1) atoms to form a mixture of distorted corner and edge-sharing SeLa4 tetrahedra. In the second Se site, Se(1) is bonded in a 4-coordinate geometry to three equivalent La(1) and one Se(1) atom. is represented by the CIF file [CIF]
data_LaSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.415
_cell_length_b   4.548
_cell_length_c   9.512
_cell_angle_alpha   71.879
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   345.967
_cell_formula_units_Z   4
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  0.772  0.619  0.094  1.0
  La  La1  1  0.272  0.381  0.406  1.0
  La  La2  1  0.228  0.381  0.906  1.0
  La  La3  1  0.728  0.619  0.594  1.0
  Se  Se4  1  0.512  0.071  0.117  1.0
  Se  Se5  1  0.012  0.929  0.383  1.0
  Se  Se6  1  0.488  0.929  0.883  1.0
  Se  Se7  1  0.988  0.071  0.617  1.0
  Se  Se8  1  0.626  0.286  0.389  1.0
  Se  Se9  1  0.126  0.714  0.111  1.0
  Se  Se10  1  0.374  0.714  0.611  1.0
  Se  Se11  1  0.874  0.286  0.889  1.0
[/CIF]
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