The material structure described by ScF3 crystallizes in the orthorhombic C222 space group. Sc(1) is bonded to four equivalent F(1) and four equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing ScF8 hexagonal bipyramids. 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 CIF card [CIF]
data_ScF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   3.962
_cell_length_c   3.440
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.327
_symmetry_Int_Tables_number   1
_cell_volume   44.063
_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  0.000  0.000  0.000  1.0
  F  F1  1  0.500  0.000  0.187  1.0
  F  F2  1  0.000  0.500  0.813  1.0
  F  F3  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by ScF3 crystallizes in the orthorhombic C222 space group. Sc(1) is bonded to four equivalent F(1) and four equivalent F(2) atoms to form a mixture of distorted corner and edge-sharing ScF8 hexagonal bipyramids. 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 CIF card [CIF]
data_ScF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.962
_cell_length_b   3.962
_cell_length_c   3.440
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.327
_symmetry_Int_Tables_number   1
_cell_volume   44.063
_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  0.000  0.000  0.000  1.0
  F  F1  1  0.500  0.000  0.187  1.0
  F  F2  1  0.000  0.500  0.813  1.0
  F  F3  1  0.500  0.500  0.500  1.0
[/CIF]
.