The compound described by CsK2Sc(PO4)2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with six equivalent P(1)O4 tetrahedra, and faces with two equivalent Sc(1)O6 octahedra. K(1) is bonded in a 7-coordinate geometry to one O(2) and six equivalent O(1) atoms. Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Cs(1)O12 cuboctahedra. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent K(1), one Sc(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1), one K(1), and one P(1) atom. is represented by the CIF card [CIF]
data_CsK2Sc(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.558
_cell_length_c   8.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.925
_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  0.000  0.000  0.500  1.0
  K  K1  1  0.333  0.667  0.248  1.0
  K  K2  1  0.667  0.333  0.752  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.333  0.667  0.783  1.0
  P  P5  1  0.667  0.333  0.217  1.0
  O  O6  1  0.361  0.181  0.151  1.0
  O  O7  1  0.819  0.639  0.151  1.0
  O  O8  1  0.819  0.181  0.151  1.0
  O  O9  1  0.639  0.819  0.849  1.0
  O  O10  1  0.181  0.361  0.849  1.0
  O  O11  1  0.181  0.819  0.849  1.0
  O  O12  1  0.667  0.333  0.408  1.0
  O  O13  1  0.333  0.667  0.592  1.0
[/CIF]
.
The compound described by CsK2Sc(PO4)2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form CsO12 cuboctahedra that share edges with six equivalent Cs(1)O12 cuboctahedra, edges with six equivalent P(1)O4 tetrahedra, and faces with two equivalent Sc(1)O6 octahedra. K(1) is bonded in a 7-coordinate geometry to one O(2) and six equivalent O(1) atoms. Sc(1) is bonded to six equivalent O(1) atoms to form ScO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Cs(1)O12 cuboctahedra. P(1) is bonded to one O(2) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Sc(1)O6 octahedra and edges with three equivalent Cs(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 15°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent K(1), one Sc(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Cs(1), one K(1), and one P(1) atom. is represented by the CIF card [CIF]
data_CsK2Sc(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.558
_cell_length_b   5.558
_cell_length_c   8.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   214.925
_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  0.000  0.000  0.500  1.0
  K  K1  1  0.333  0.667  0.248  1.0
  K  K2  1  0.667  0.333  0.752  1.0
  Sc  Sc3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.333  0.667  0.783  1.0
  P  P5  1  0.667  0.333  0.217  1.0
  O  O6  1  0.361  0.181  0.151  1.0
  O  O7  1  0.819  0.639  0.151  1.0
  O  O8  1  0.819  0.181  0.151  1.0
  O  O9  1  0.639  0.819  0.849  1.0
  O  O10  1  0.181  0.361  0.849  1.0
  O  O11  1  0.181  0.819  0.849  1.0
  O  O12  1  0.667  0.333  0.408  1.0
  O  O13  1  0.333  0.667  0.592  1.0
[/CIF]
.