The structure described by ScF3 crystallizes in the monoclinic C2 space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Sc(1) atoms. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.979
_cell_length_b   3.979
_cell_length_c   3.350
_cell_angle_alpha   87.531
_cell_angle_beta   87.531
_cell_angle_gamma   124.778
_symmetry_Int_Tables_number   1
_cell_volume   43.372
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.995  0.005  0.000  1.0
  F  F1  1  0.519  0.007  0.817  1.0
  F  F2  1  0.993  0.481  0.183  1.0
  F  F3  1  0.493  0.507  0.500  1.0
[/CIF]
.
The structure described by ScF3 crystallizes in the monoclinic C2 space group. Sc(1) is bonded in a 8-coordinate geometry to four equivalent F(1) and four equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent Sc(1) atoms. In the second F site, F(2) is bonded in a square co-planar geometry to four equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.979
_cell_length_b   3.979
_cell_length_c   3.350
_cell_angle_alpha   87.531
_cell_angle_beta   87.531
_cell_angle_gamma   124.778
_symmetry_Int_Tables_number   1
_cell_volume   43.372
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.995  0.005  0.000  1.0
  F  F1  1  0.519  0.007  0.817  1.0
  F  F2  1  0.993  0.481  0.183  1.0
  F  F3  1  0.493  0.507  0.500  1.0
[/CIF]
.