The structure described by LuSeO3F crystallizes in the monoclinic P2_1/m space group. Lu(1) is bonded to one O(1), four equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing LuO5F2 pentagonal bipyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Lu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Se(1) atom. F(1) is bonded in a linear geometry to two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_LuSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.927
_cell_length_b   4.299
_cell_length_c   6.528
_cell_angle_alpha   84.714
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.589
_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  0.250  0.537  0.369  1.0
  Lu  Lu1  1  0.750  0.463  0.631  1.0
  Se  Se2  1  0.750  0.679  0.148  1.0
  Se  Se3  1  0.250  0.321  0.852  1.0
  O  O4  1  0.250  0.588  0.028  1.0
  O  O5  1  0.750  0.412  0.972  1.0
  O  O6  1  0.572  0.546  0.324  1.0
  O  O7  1  0.072  0.454  0.676  1.0
  O  O8  1  0.428  0.454  0.676  1.0
  O  O9  1  0.928  0.546  0.324  1.0
  F  F10  1  0.250  0.037  0.359  1.0
  F  F11  1  0.750  0.963  0.641  1.0
[/CIF]
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The structure described by LuSeO3F crystallizes in the monoclinic P2_1/m space group. Lu(1) is bonded to one O(1), four equivalent O(2), and two equivalent F(1) atoms to form a mixture of corner and edge-sharing LuO5F2 pentagonal bipyramids. Se(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Lu(1) and one Se(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Lu(1) and one Se(1) atom. F(1) is bonded in a linear geometry to two equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_LuSeO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.927
_cell_length_b   4.299
_cell_length_c   6.528
_cell_angle_alpha   84.714
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   193.589
_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  0.250  0.537  0.369  1.0
  Lu  Lu1  1  0.750  0.463  0.631  1.0
  Se  Se2  1  0.750  0.679  0.148  1.0
  Se  Se3  1  0.250  0.321  0.852  1.0
  O  O4  1  0.250  0.588  0.028  1.0
  O  O5  1  0.750  0.412  0.972  1.0
  O  O6  1  0.572  0.546  0.324  1.0
  O  O7  1  0.072  0.454  0.676  1.0
  O  O8  1  0.428  0.454  0.676  1.0
  O  O9  1  0.928  0.546  0.324  1.0
  F  F10  1  0.250  0.037  0.359  1.0
  F  F11  1  0.750  0.963  0.641  1.0
[/CIF]
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