The material structure described by CsNb(PO4)2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.101
_cell_length_c   8.774
_cell_angle_alpha   87.081
_cell_angle_beta   87.081
_cell_angle_gamma   62.087
_symmetry_Int_Tables_number   1
_cell_volume   201.397
_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
  Nb  Nb1  1  0.000  0.000  0.500  1.0
  P  P2  1  0.357  0.357  0.305  1.0
  P  P3  1  0.643  0.643  0.695  1.0
  O  O4  1  0.783  0.314  0.652  1.0
  O  O5  1  0.787  0.787  0.582  1.0
  O  O6  1  0.680  0.680  0.857  1.0
  O  O7  1  0.314  0.783  0.652  1.0
  O  O8  1  0.320  0.320  0.143  1.0
  O  O9  1  0.213  0.213  0.418  1.0
  O  O10  1  0.686  0.217  0.348  1.0
  O  O11  1  0.217  0.686  0.348  1.0
[/CIF]
.
The material structure described by CsNb(PO4)2 crystallizes in the monoclinic C2/m space group. Cs(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent O(3) atoms. Nb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form NbO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-31°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsNb(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.101
_cell_length_b   5.101
_cell_length_c   8.774
_cell_angle_alpha   87.081
_cell_angle_beta   87.081
_cell_angle_gamma   62.087
_symmetry_Int_Tables_number   1
_cell_volume   201.397
_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
  Nb  Nb1  1  0.000  0.000  0.500  1.0
  P  P2  1  0.357  0.357  0.305  1.0
  P  P3  1  0.643  0.643  0.695  1.0
  O  O4  1  0.783  0.314  0.652  1.0
  O  O5  1  0.787  0.787  0.582  1.0
  O  O6  1  0.680  0.680  0.857  1.0
  O  O7  1  0.314  0.783  0.652  1.0
  O  O8  1  0.320  0.320  0.143  1.0
  O  O9  1  0.213  0.213  0.418  1.0
  O  O10  1  0.686  0.217  0.348  1.0
  O  O11  1  0.217  0.686  0.348  1.0
[/CIF]
.