The compound described by K3PO5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1) and four equivalent K(2) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), three equivalent K(2), and one P(1) atom. is represented by the CIF card [CIF]
data_K3PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   7.730
_cell_length_c   7.730
_cell_angle_alpha   122.750
_cell_angle_beta   122.750
_cell_angle_gamma   85.300
_symmetry_Int_Tables_number   1
_cell_volume   311.847
_cell_formula_units_Z   2
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  0.250  0.250  0.000  1.0
  K  K1  1  0.750  0.750  0.000  1.0
  K  K2  1  0.694  0.194  0.888  1.0
  K  K3  1  0.306  0.806  0.112  1.0
  K  K4  1  0.194  0.306  0.500  1.0
  K  K5  1  0.806  0.694  0.500  1.0
  P  P6  1  0.750  0.250  0.500  1.0
  P  P7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.287  0.787  0.738  1.0
  O  O11  1  0.713  0.213  0.262  1.0
  O  O12  1  0.049  0.549  0.262  1.0
  O  O13  1  0.787  0.049  0.500  1.0
  O  O14  1  0.451  0.713  0.500  1.0
  O  O15  1  0.951  0.451  0.738  1.0
  O  O16  1  0.213  0.951  0.500  1.0
  O  O17  1  0.549  0.287  0.500  1.0
[/CIF]
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The compound described by K3PO5 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1) and four equivalent K(2) atoms to form corner-sharing OK6 octahedra. The corner-sharing octahedral tilt angles range from 0-25°. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), three equivalent K(2), and one P(1) atom. is represented by the CIF card [CIF]
data_K3PO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   7.730
_cell_length_c   7.730
_cell_angle_alpha   122.750
_cell_angle_beta   122.750
_cell_angle_gamma   85.300
_symmetry_Int_Tables_number   1
_cell_volume   311.847
_cell_formula_units_Z   2
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  0.250  0.250  0.000  1.0
  K  K1  1  0.750  0.750  0.000  1.0
  K  K2  1  0.694  0.194  0.888  1.0
  K  K3  1  0.306  0.806  0.112  1.0
  K  K4  1  0.194  0.306  0.500  1.0
  K  K5  1  0.806  0.694  0.500  1.0
  P  P6  1  0.750  0.250  0.500  1.0
  P  P7  1  0.250  0.750  0.500  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.500  0.500  0.000  1.0
  O  O10  1  0.287  0.787  0.738  1.0
  O  O11  1  0.713  0.213  0.262  1.0
  O  O12  1  0.049  0.549  0.262  1.0
  O  O13  1  0.787  0.049  0.500  1.0
  O  O14  1  0.451  0.713  0.500  1.0
  O  O15  1  0.951  0.451  0.738  1.0
  O  O16  1  0.213  0.951  0.500  1.0
  O  O17  1  0.549  0.287  0.500  1.0
[/CIF]
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