The crystal structure described by ScOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing ScO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. O(1) is bonded in a distorted trigonal planar geometry to three equivalent Sc(1) atoms. F(1) is bonded in a trigonal planar geometry to three equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.883
_cell_length_b   5.284
_cell_length_c   5.745
_cell_angle_alpha   88.721
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.193
_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
  Sc  Sc0  1  0.510  0.781  0.329  1.0
  Sc  Sc1  1  0.010  0.219  0.171  1.0
  Sc  Sc2  1  0.490  0.219  0.671  1.0
  Sc  Sc3  1  0.990  0.781  0.829  1.0
  O  O4  1  0.274  0.082  0.400  1.0
  O  O5  1  0.226  0.082  0.900  1.0
  O  O6  1  0.726  0.918  0.600  1.0
  O  O7  1  0.774  0.918  0.100  1.0
  F  F8  1  0.774  0.425  0.885  1.0
  F  F9  1  0.726  0.425  0.385  1.0
  F  F10  1  0.226  0.575  0.115  1.0
  F  F11  1  0.274  0.575  0.615  1.0
[/CIF]
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The crystal structure described by ScOF is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1/c space group. Sc(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing ScO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-60°. O(1) is bonded in a distorted trigonal planar geometry to three equivalent Sc(1) atoms. F(1) is bonded in a trigonal planar geometry to three equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.883
_cell_length_b   5.284
_cell_length_c   5.745
_cell_angle_alpha   88.721
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   148.193
_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
  Sc  Sc0  1  0.510  0.781  0.329  1.0
  Sc  Sc1  1  0.010  0.219  0.171  1.0
  Sc  Sc2  1  0.490  0.219  0.671  1.0
  Sc  Sc3  1  0.990  0.781  0.829  1.0
  O  O4  1  0.274  0.082  0.400  1.0
  O  O5  1  0.226  0.082  0.900  1.0
  O  O6  1  0.726  0.918  0.600  1.0
  O  O7  1  0.774  0.918  0.100  1.0
  F  F8  1  0.774  0.425  0.885  1.0
  F  F9  1  0.726  0.425  0.385  1.0
  F  F10  1  0.226  0.575  0.115  1.0
  F  F11  1  0.274  0.575  0.615  1.0
[/CIF]
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