The material described by Zr(KPO4)2 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Zr(1) is bonded to six equivalent O(2) atoms to form ZrO6 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 Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Zr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K2Zr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.245
_cell_length_c   9.130
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   217.527
_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
  K  K0  1  0.333  0.667  0.650  1.0
  K  K1  1  0.667  0.333  0.350  1.0
  Zr  Zr2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.333  0.667  0.194  1.0
  P  P4  1  0.667  0.333  0.806  1.0
  O  O5  1  0.333  0.667  0.361  1.0
  O  O6  1  0.667  0.333  0.639  1.0
  O  O7  1  0.271  0.909  0.135  1.0
  O  O8  1  0.091  0.361  0.135  1.0
  O  O9  1  0.639  0.729  0.135  1.0
  O  O10  1  0.729  0.091  0.865  1.0
  O  O11  1  0.909  0.639  0.865  1.0
  O  O12  1  0.361  0.271  0.865  1.0
[/CIF]
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The material described by Zr(KPO4)2 crystallizes in the trigonal P-3 space group. K(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Zr(1) is bonded to six equivalent O(2) atoms to form ZrO6 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 Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 34°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to four equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one K(1), one Zr(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K2Zr(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.245
_cell_length_b   5.245
_cell_length_c   9.130
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   217.527
_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
  K  K0  1  0.333  0.667  0.650  1.0
  K  K1  1  0.667  0.333  0.350  1.0
  Zr  Zr2  1  0.000  0.000  0.000  1.0
  P  P3  1  0.333  0.667  0.194  1.0
  P  P4  1  0.667  0.333  0.806  1.0
  O  O5  1  0.333  0.667  0.361  1.0
  O  O6  1  0.667  0.333  0.639  1.0
  O  O7  1  0.271  0.909  0.135  1.0
  O  O8  1  0.091  0.361  0.135  1.0
  O  O9  1  0.639  0.729  0.135  1.0
  O  O10  1  0.729  0.091  0.865  1.0
  O  O11  1  0.909  0.639  0.865  1.0
  O  O12  1  0.361  0.271  0.865  1.0
[/CIF]
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