The compound described by LaSeF crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a trigonal planar geometry to six equivalent Se(1) and three equivalent F(1) atoms. Se(1) is bonded to six equivalent La(1) atoms to form a mixture of face, corner, and edge-sharing SeLa6 octahedra. The corner-sharing octahedral tilt angles are 45°. F(1) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaSeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.221
_cell_length_b   4.221
_cell_length_c   8.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   126.937
_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  0.333  0.667  0.250  1.0
  La  La1  1  0.667  0.333  0.750  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  Se  Se3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.667  0.333  0.250  1.0
  F  F5  1  0.333  0.667  0.750  1.0
[/CIF]
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The compound described by LaSeF crystallizes in the hexagonal P6_3/mmc space group. La(1) is bonded in a trigonal planar geometry to six equivalent Se(1) and three equivalent F(1) atoms. Se(1) is bonded to six equivalent La(1) atoms to form a mixture of face, corner, and edge-sharing SeLa6 octahedra. The corner-sharing octahedral tilt angles are 45°. F(1) is bonded in a trigonal planar geometry to three equivalent La(1) atoms. is represented by the CIF card [CIF]
data_LaSeF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.221
_cell_length_b   4.221
_cell_length_c   8.228
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   126.937
_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  0.333  0.667  0.250  1.0
  La  La1  1  0.667  0.333  0.750  1.0
  Se  Se2  1  0.000  0.000  0.500  1.0
  Se  Se3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.667  0.333  0.250  1.0
  F  F5  1  0.333  0.667  0.750  1.0
[/CIF]
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