The material structure described by CsK2Yb(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 Yb(1)O6 octahedra. K(1) is bonded in a 7-coordinate geometry to one O(1) and six equivalent O(2) atoms. Yb(1) is bonded to six equivalent O(2) atoms to form YbO6 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(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Yb(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 distorted single-bond geometry to three equivalent Cs(1), one K(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent K(1), one Yb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsK2Yb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.826
_cell_length_b   5.826
_cell_length_c   7.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   229.663
_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  0.667  0.333  0.790  1.0
  K  K2  1  0.333  0.667  0.210  1.0
  Yb  Yb3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.333  0.667  0.765  1.0
  P  P5  1  0.667  0.333  0.235  1.0
  O  O6  1  0.667  0.333  0.433  1.0
  O  O7  1  0.333  0.667  0.567  1.0
  O  O8  1  0.812  0.188  0.168  1.0
  O  O9  1  0.812  0.624  0.168  1.0
  O  O10  1  0.376  0.188  0.168  1.0
  O  O11  1  0.624  0.812  0.832  1.0
  O  O12  1  0.188  0.812  0.832  1.0
  O  O13  1  0.188  0.376  0.832  1.0
[/CIF]
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The material structure described by CsK2Yb(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 Yb(1)O6 octahedra. K(1) is bonded in a 7-coordinate geometry to one O(1) and six equivalent O(2) atoms. Yb(1) is bonded to six equivalent O(2) atoms to form YbO6 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(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Yb(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 distorted single-bond geometry to three equivalent Cs(1), one K(1), and one P(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(1), two equivalent K(1), one Yb(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsK2Yb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.826
_cell_length_b   5.826
_cell_length_c   7.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   229.663
_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  0.667  0.333  0.790  1.0
  K  K2  1  0.333  0.667  0.210  1.0
  Yb  Yb3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.333  0.667  0.765  1.0
  P  P5  1  0.667  0.333  0.235  1.0
  O  O6  1  0.667  0.333  0.433  1.0
  O  O7  1  0.333  0.667  0.567  1.0
  O  O8  1  0.812  0.188  0.168  1.0
  O  O9  1  0.812  0.624  0.168  1.0
  O  O10  1  0.376  0.188  0.168  1.0
  O  O11  1  0.624  0.812  0.832  1.0
  O  O12  1  0.188  0.812  0.832  1.0
  O  O13  1  0.188  0.376  0.832  1.0
[/CIF]
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