The structure described by CsSb(PO4)2 crystallizes in the trigonal P-3 space group. Cs(1) is bonded to six equivalent O(1) atoms to form distorted CsO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with six equivalent Cs(1)O6 octahedra. Sb(1) is bonded to six equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Cs(1)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CsSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.914
_cell_length_c   9.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   196.333
_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  0.000  1.0
  Sb  Sb1  1  0.000  0.000  0.500  1.0
  P  P2  1  0.333  0.667  0.688  1.0
  P  P3  1  0.667  0.333  0.312  1.0
  O  O4  1  0.667  0.333  0.153  1.0
  O  O5  1  0.650  0.944  0.626  1.0
  O  O6  1  0.294  0.350  0.626  1.0
  O  O7  1  0.333  0.667  0.847  1.0
  O  O8  1  0.706  0.650  0.374  1.0
  O  O9  1  0.350  0.056  0.374  1.0
  O  O10  1  0.944  0.294  0.374  1.0
  O  O11  1  0.056  0.706  0.626  1.0
[/CIF]
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The structure described by CsSb(PO4)2 crystallizes in the trigonal P-3 space group. Cs(1) is bonded to six equivalent O(1) atoms to form distorted CsO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with six equivalent Cs(1)O6 octahedra. Sb(1) is bonded to six equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with three equivalent Cs(1)O6 octahedra and corners with three equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-63°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to three equivalent Cs(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Sb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CsSb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.914
_cell_length_b   4.914
_cell_length_c   9.387
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   196.333
_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  0.000  1.0
  Sb  Sb1  1  0.000  0.000  0.500  1.0
  P  P2  1  0.333  0.667  0.688  1.0
  P  P3  1  0.667  0.333  0.312  1.0
  O  O4  1  0.667  0.333  0.153  1.0
  O  O5  1  0.650  0.944  0.626  1.0
  O  O6  1  0.294  0.350  0.626  1.0
  O  O7  1  0.333  0.667  0.847  1.0
  O  O8  1  0.706  0.650  0.374  1.0
  O  O9  1  0.350  0.056  0.374  1.0
  O  O10  1  0.944  0.294  0.374  1.0
  O  O11  1  0.056  0.706  0.626  1.0
[/CIF]
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