The compound described by CsSc3F10 crystallizes in the orthorhombic Pmma space group. Cs(1) is bonded to four equivalent F(1) and eight equivalent F(3) atoms to form distorted CsF12 cuboctahedra that share edges with four equivalent Sc(1)F6 octahedra, edges with eight equivalent Sc(2)F7 pentagonal bipyramids, and faces with two equivalent Cs(1)F12 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent F(5) and four equivalent F(3) atoms to form ScF6 octahedra that share corners with two equivalent Sc(1)F6 octahedra, corners with four equivalent Sc(2)F7 pentagonal bipyramids, and edges with four equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. In the second Sc site, Sc(2) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form ScF7 pentagonal bipyramids that share corners with two equivalent Sc(1)F6 octahedra, corners with three equivalent Sc(2)F7 pentagonal bipyramids, edges with four equivalent Cs(1)F12 cuboctahedra, and  an edgeedge with one Sc(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 32°. There are five inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Cs(1) and two equivalent Sc(2) atoms to form a mixture of distorted edge and corner-sharing FCs2Sc2 tetrahedra. In the second F site, F(2) is bonded in a linear geometry to two equivalent Sc(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Sc(1), and one Sc(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Sc(2) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSc3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.063
_cell_length_b   6.831
_cell_length_c   7.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.748
_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
  Cs  Cs0  1  1.000  1.000  0.500  1.0
  F  F1  1  0.500  0.328  0.500  1.0
  F  F2  1  0.500  0.672  0.500  1.0
  F  F3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.500  0.200  0.195  1.0
  F  F5  1  0.500  0.800  0.805  1.0
  F  F6  1  0.500  0.800  0.195  1.0
  F  F7  1  0.500  0.200  0.805  1.0
  F  F8  1  0.000  0.500  0.276  1.0
  F  F9  1  0.000  0.500  0.724  1.0
  F  F10  1  1.000  0.000  0.000  1.0
  Sc  Sc11  1  0.500  0.000  1.000  1.0
  Sc  Sc12  1  0.500  0.500  0.731  1.0
  Sc  Sc13  1  0.500  0.500  0.269  1.0
[/CIF]
.
The compound described by CsSc3F10 crystallizes in the orthorhombic Pmma space group. Cs(1) is bonded to four equivalent F(1) and eight equivalent F(3) atoms to form distorted CsF12 cuboctahedra that share edges with four equivalent Sc(1)F6 octahedra, edges with eight equivalent Sc(2)F7 pentagonal bipyramids, and faces with two equivalent Cs(1)F12 cuboctahedra. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to two equivalent F(5) and four equivalent F(3) atoms to form ScF6 octahedra that share corners with two equivalent Sc(1)F6 octahedra, corners with four equivalent Sc(2)F7 pentagonal bipyramids, and edges with four equivalent Cs(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles are 4°. In the second Sc site, Sc(2) is bonded to one F(2), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form ScF7 pentagonal bipyramids that share corners with two equivalent Sc(1)F6 octahedra, corners with three equivalent Sc(2)F7 pentagonal bipyramids, edges with four equivalent Cs(1)F12 cuboctahedra, and  an edgeedge with one Sc(2)F7 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 32°. There are five inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Cs(1) and two equivalent Sc(2) atoms to form a mixture of distorted edge and corner-sharing FCs2Sc2 tetrahedra. In the second F site, F(2) is bonded in a linear geometry to two equivalent Sc(2) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one Sc(1), and one Sc(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to two equivalent Sc(2) atoms. In the fifth F site, F(5) is bonded in a linear geometry to two equivalent Sc(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsSc3F10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.063
_cell_length_b   6.831
_cell_length_c   7.593
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.748
_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
  Cs  Cs0  1  1.000  1.000  0.500  1.0
  F  F1  1  0.500  0.328  0.500  1.0
  F  F2  1  0.500  0.672  0.500  1.0
  F  F3  1  0.500  0.500  0.000  1.0
  F  F4  1  0.500  0.200  0.195  1.0
  F  F5  1  0.500  0.800  0.805  1.0
  F  F6  1  0.500  0.800  0.195  1.0
  F  F7  1  0.500  0.200  0.805  1.0
  F  F8  1  0.000  0.500  0.276  1.0
  F  F9  1  0.000  0.500  0.724  1.0
  F  F10  1  1.000  0.000  0.000  1.0
  Sc  Sc11  1  0.500  0.000  1.000  1.0
  Sc  Sc12  1  0.500  0.500  0.731  1.0
  Sc  Sc13  1  0.500  0.500  0.269  1.0
[/CIF]
.