The material structure described by SFLu crystallizes in the trigonal R-3m space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to six equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Lu(2)S2F6 hexagonal bipyramids and edges with six equivalent Lu(1)S6 octahedra. In the second Lu site, Lu(2) is bonded to two equivalent S(1) and six equivalent F(1) atoms to form LuS2F6 hexagonal bipyramids that share corners with six equivalent Lu(1)S6 octahedra and edges with six equivalent Lu(2)S2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. S(1) is bonded to one Lu(2) and three equivalent Lu(1) atoms to form a mixture of distorted corner and edge-sharing SLu4 trigonal pyramids. F(1) is bonded in a trigonal planar geometry to three equivalent Lu(2) atoms. is represented by the CIF card [CIF]
data_LuSF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.497
_cell_length_b   8.497
_cell_length_c   8.497
_cell_angle_alpha   26.714
_cell_angle_beta   26.714
_cell_angle_gamma   26.714
_symmetry_Int_Tables_number   1
_cell_volume   109.294
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.391  0.391  0.391  1.0
  S  S3  1  0.609  0.609  0.609  1.0
  F  F4  1  0.168  0.168  0.168  1.0
  F  F5  1  0.832  0.832  0.832  1.0
[/CIF]
.
The material structure described by SFLu crystallizes in the trigonal R-3m space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded to six equivalent S(1) atoms to form LuS6 octahedra that share corners with six equivalent Lu(2)S2F6 hexagonal bipyramids and edges with six equivalent Lu(1)S6 octahedra. In the second Lu site, Lu(2) is bonded to two equivalent S(1) and six equivalent F(1) atoms to form LuS2F6 hexagonal bipyramids that share corners with six equivalent Lu(1)S6 octahedra and edges with six equivalent Lu(2)S2F6 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. S(1) is bonded to one Lu(2) and three equivalent Lu(1) atoms to form a mixture of distorted corner and edge-sharing SLu4 trigonal pyramids. F(1) is bonded in a trigonal planar geometry to three equivalent Lu(2) atoms. is represented by the CIF card [CIF]
data_LuSF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.497
_cell_length_b   8.497
_cell_length_c   8.497
_cell_angle_alpha   26.714
_cell_angle_beta   26.714
_cell_angle_gamma   26.714
_symmetry_Int_Tables_number   1
_cell_volume   109.294
_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
  Lu  Lu0  1  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.391  0.391  0.391  1.0
  S  S3  1  0.609  0.609  0.609  1.0
  F  F4  1  0.168  0.168  0.168  1.0
  F  F5  1  0.832  0.832  0.832  1.0
[/CIF]
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