The crystal structure described by K4U(PO5)2 crystallizes in the tetragonal P4_2/nmc space group. K(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. U(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form UO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three 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 4-coordinate geometry to two equivalent K(1), one U(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one U(1) atom. is represented by the CIF file [CIF]
data_K4U(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.957
_cell_length_b   6.957
_cell_length_c   12.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.827
_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  0.000  0.251  0.671  1.0
  K  K1  1  0.500  0.249  0.829  1.0
  K  K2  1  0.000  0.749  0.671  1.0
  K  K3  1  0.251  0.000  0.329  1.0
  K  K4  1  0.500  0.751  0.829  1.0
  K  K5  1  0.749  0.000  0.329  1.0
  K  K6  1  0.249  0.500  0.171  1.0
  K  K7  1  0.751  0.500  0.171  1.0
  U  U8  1  0.000  0.000  0.000  1.0
  U  U9  1  0.500  0.500  0.500  1.0
  P  P10  1  0.000  0.500  0.417  1.0
  P  P11  1  0.500  0.000  0.583  1.0
  P  P12  1  0.500  0.000  0.083  1.0
  P  P13  1  0.000  0.500  0.917  1.0
  O  O14  1  0.816  0.500  0.847  1.0
  O  O15  1  0.000  0.324  0.001  1.0
  O  O16  1  0.176  0.500  0.501  1.0
  O  O17  1  0.000  0.676  0.001  1.0
  O  O18  1  0.684  0.000  0.653  1.0
  O  O19  1  0.000  0.000  0.153  1.0
  O  O20  1  0.500  0.824  0.499  1.0
  O  O21  1  0.500  0.500  0.347  1.0
  O  O22  1  0.824  0.500  0.501  1.0
  O  O23  1  0.500  0.184  0.153  1.0
  O  O24  1  0.184  0.500  0.847  1.0
  O  O25  1  0.676  0.000  0.999  1.0
  O  O26  1  0.500  0.176  0.499  1.0
  O  O27  1  0.324  0.000  0.999  1.0
  O  O28  1  0.500  0.816  0.153  1.0
  O  O29  1  0.316  0.000  0.653  1.0
  O  O30  1  0.500  0.500  0.653  1.0
  O  O31  1  0.000  0.000  0.847  1.0
  O  O32  1  0.000  0.316  0.347  1.0
  O  O33  1  0.000  0.684  0.347  1.0
[/CIF]
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The crystal structure described by K4U(PO5)2 crystallizes in the tetragonal P4_2/nmc space group. K(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(2), and four equivalent O(1) atoms. U(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form UO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are three 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 4-coordinate geometry to two equivalent K(1), one U(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one U(1) atom. is represented by the CIF file [CIF]
data_K4U(PO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.957
_cell_length_b   6.957
_cell_length_c   12.082
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   584.827
_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  0.000  0.251  0.671  1.0
  K  K1  1  0.500  0.249  0.829  1.0
  K  K2  1  0.000  0.749  0.671  1.0
  K  K3  1  0.251  0.000  0.329  1.0
  K  K4  1  0.500  0.751  0.829  1.0
  K  K5  1  0.749  0.000  0.329  1.0
  K  K6  1  0.249  0.500  0.171  1.0
  K  K7  1  0.751  0.500  0.171  1.0
  U  U8  1  0.000  0.000  0.000  1.0
  U  U9  1  0.500  0.500  0.500  1.0
  P  P10  1  0.000  0.500  0.417  1.0
  P  P11  1  0.500  0.000  0.583  1.0
  P  P12  1  0.500  0.000  0.083  1.0
  P  P13  1  0.000  0.500  0.917  1.0
  O  O14  1  0.816  0.500  0.847  1.0
  O  O15  1  0.000  0.324  0.001  1.0
  O  O16  1  0.176  0.500  0.501  1.0
  O  O17  1  0.000  0.676  0.001  1.0
  O  O18  1  0.684  0.000  0.653  1.0
  O  O19  1  0.000  0.000  0.153  1.0
  O  O20  1  0.500  0.824  0.499  1.0
  O  O21  1  0.500  0.500  0.347  1.0
  O  O22  1  0.824  0.500  0.501  1.0
  O  O23  1  0.500  0.184  0.153  1.0
  O  O24  1  0.184  0.500  0.847  1.0
  O  O25  1  0.676  0.000  0.999  1.0
  O  O26  1  0.500  0.176  0.499  1.0
  O  O27  1  0.324  0.000  0.999  1.0
  O  O28  1  0.500  0.816  0.153  1.0
  O  O29  1  0.316  0.000  0.653  1.0
  O  O30  1  0.500  0.500  0.653  1.0
  O  O31  1  0.000  0.000  0.847  1.0
  O  O32  1  0.000  0.316  0.347  1.0
  O  O33  1  0.000  0.684  0.347  1.0
[/CIF]
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