The structure described by LuF3 crystallizes in the trigonal P-3c1 space group. Lu(1) is bonded in a 9-coordinate geometry to one F(1), two equivalent F(2), and six equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to three equivalent Lu(1) atoms. In the second F site, F(3) is bonded in a 3-coordinate geometry to three equivalent Lu(1) atoms. In the third F site, F(1) is bonded in a trigonal planar geometry to three equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_LuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.575
_cell_length_b   6.575
_cell_length_c   6.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   253.169
_cell_formula_units_Z   6
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  0.653  0.653  0.750  1.0
  Lu  Lu1  1  0.347  0.347  0.250  1.0
  Lu  Lu2  1  0.000  0.347  0.750  1.0
  Lu  Lu3  1  0.000  0.653  0.250  1.0
  Lu  Lu4  1  0.347  0.000  0.750  1.0
  Lu  Lu5  1  0.653  0.000  0.250  1.0
  F  F6  1  0.000  0.000  0.750  1.0
  F  F7  1  0.000  0.000  0.250  1.0
  F  F8  1  0.667  0.333  0.817  1.0
  F  F9  1  0.333  0.667  0.183  1.0
  F  F10  1  0.333  0.667  0.683  1.0
  F  F11  1  0.667  0.333  0.317  1.0
  F  F12  1  0.624  0.929  0.922  1.0
  F  F13  1  0.376  0.071  0.078  1.0
  F  F14  1  0.305  0.376  0.922  1.0
  F  F15  1  0.695  0.071  0.578  1.0
  F  F16  1  0.695  0.624  0.078  1.0
  F  F17  1  0.305  0.929  0.422  1.0
  F  F18  1  0.071  0.695  0.922  1.0
  F  F19  1  0.929  0.624  0.578  1.0
  F  F20  1  0.929  0.305  0.078  1.0
  F  F21  1  0.071  0.376  0.422  1.0
  F  F22  1  0.376  0.305  0.578  1.0
  F  F23  1  0.624  0.695  0.422  1.0
[/CIF]
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The structure described by LuF3 crystallizes in the trigonal P-3c1 space group. Lu(1) is bonded in a 9-coordinate geometry to one F(1), two equivalent F(2), and six equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(2) is bonded in a trigonal planar geometry to three equivalent Lu(1) atoms. In the second F site, F(3) is bonded in a 3-coordinate geometry to three equivalent Lu(1) atoms. In the third F site, F(1) is bonded in a trigonal planar geometry to three equivalent Lu(1) atoms. is represented by the CIF file [CIF]
data_LuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.575
_cell_length_b   6.575
_cell_length_c   6.761
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   253.169
_cell_formula_units_Z   6
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  0.653  0.653  0.750  1.0
  Lu  Lu1  1  0.347  0.347  0.250  1.0
  Lu  Lu2  1  0.000  0.347  0.750  1.0
  Lu  Lu3  1  0.000  0.653  0.250  1.0
  Lu  Lu4  1  0.347  0.000  0.750  1.0
  Lu  Lu5  1  0.653  0.000  0.250  1.0
  F  F6  1  0.000  0.000  0.750  1.0
  F  F7  1  0.000  0.000  0.250  1.0
  F  F8  1  0.667  0.333  0.817  1.0
  F  F9  1  0.333  0.667  0.183  1.0
  F  F10  1  0.333  0.667  0.683  1.0
  F  F11  1  0.667  0.333  0.317  1.0
  F  F12  1  0.624  0.929  0.922  1.0
  F  F13  1  0.376  0.071  0.078  1.0
  F  F14  1  0.305  0.376  0.922  1.0
  F  F15  1  0.695  0.071  0.578  1.0
  F  F16  1  0.695  0.624  0.078  1.0
  F  F17  1  0.305  0.929  0.422  1.0
  F  F18  1  0.071  0.695  0.922  1.0
  F  F19  1  0.929  0.624  0.578  1.0
  F  F20  1  0.929  0.305  0.078  1.0
  F  F21  1  0.071  0.376  0.422  1.0
  F  F22  1  0.376  0.305  0.578  1.0
  F  F23  1  0.624  0.695  0.422  1.0
[/CIF]
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