The crystal structure described by LuOF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Lu(1) is bonded to four equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing LuO4F3 pentagonal bipyramids. O(1) is bonded to four equivalent Lu(1) atoms to form a mixture of corner and edge-sharing OLu4 tetrahedra. F(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_LuOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.402
_cell_length_c   5.427
_cell_angle_alpha   80.186
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.233
_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
  Lu  Lu0  1  0.474  0.694  0.713  1.0
  Lu  Lu1  1  0.526  0.306  0.287  1.0
  Lu  Lu2  1  0.974  0.306  0.787  1.0
  Lu  Lu3  1  0.026  0.694  0.213  1.0
  O  O4  1  0.247  0.460  0.511  1.0
  O  O5  1  0.753  0.540  0.489  1.0
  O  O6  1  0.747  0.540  0.989  1.0
  O  O7  1  0.253  0.460  0.011  1.0
  F  F8  1  0.175  0.943  0.845  1.0
  F  F9  1  0.825  0.057  0.155  1.0
  F  F10  1  0.675  0.057  0.655  1.0
  F  F11  1  0.325  0.943  0.345  1.0
[/CIF]
.
The crystal structure described by LuOF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. Lu(1) is bonded to four equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing LuO4F3 pentagonal bipyramids. O(1) is bonded to four equivalent Lu(1) atoms to form a mixture of corner and edge-sharing OLu4 tetrahedra. F(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_LuOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.339
_cell_length_b   5.402
_cell_length_c   5.427
_cell_angle_alpha   80.186
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.233
_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
  Lu  Lu0  1  0.474  0.694  0.713  1.0
  Lu  Lu1  1  0.526  0.306  0.287  1.0
  Lu  Lu2  1  0.974  0.306  0.787  1.0
  Lu  Lu3  1  0.026  0.694  0.213  1.0
  O  O4  1  0.247  0.460  0.511  1.0
  O  O5  1  0.753  0.540  0.489  1.0
  O  O6  1  0.747  0.540  0.989  1.0
  O  O7  1  0.253  0.460  0.011  1.0
  F  F8  1  0.175  0.943  0.845  1.0
  F  F9  1  0.825  0.057  0.155  1.0
  F  F10  1  0.675  0.057  0.655  1.0
  F  F11  1  0.325  0.943  0.345  1.0
[/CIF]
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