The compound described by K2NpO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. Np(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent K(1) and two equivalent Np(1) atoms to form distorted OK4Np2 octahedra that share corners with two equivalent O(2)K4Np2 octahedra, corners with twelve equivalent O(1)K5Np octahedra, edges with two equivalent O(2)K4Np2 octahedra, faces with four equivalent O(2)K4Np2 octahedra, and faces with four equivalent O(1)K5Np octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(1) is bonded to five equivalent K(1) and one Np(1) atom to form distorted OK5Np octahedra that share corners with five equivalent O(1)K5Np octahedra, corners with twelve equivalent O(2)K4Np2 octahedra, edges with eight equivalent O(1)K5Np octahedra, and faces with four equivalent O(2)K4Np2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_K2NpO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.292
_cell_length_b   4.292
_cell_length_c   7.252
_cell_angle_alpha   107.206
_cell_angle_beta   107.211
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.326
_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  0.349  0.349  0.698  1.0
  K  K1  1  0.651  0.651  0.302  1.0
  Np  Np2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.145  0.145  0.291  1.0
  O  O4  1  0.855  0.855  0.709  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by K2NpO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded in a 9-coordinate geometry to four equivalent O(2) and five equivalent O(1) atoms. Np(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form corner-sharing NpO6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(2) is bonded to four equivalent K(1) and two equivalent Np(1) atoms to form distorted OK4Np2 octahedra that share corners with two equivalent O(2)K4Np2 octahedra, corners with twelve equivalent O(1)K5Np octahedra, edges with two equivalent O(2)K4Np2 octahedra, faces with four equivalent O(2)K4Np2 octahedra, and faces with four equivalent O(1)K5Np octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(1) is bonded to five equivalent K(1) and one Np(1) atom to form distorted OK5Np octahedra that share corners with five equivalent O(1)K5Np octahedra, corners with twelve equivalent O(2)K4Np2 octahedra, edges with eight equivalent O(1)K5Np octahedra, and faces with four equivalent O(2)K4Np2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. is represented by the CIF card [CIF]
data_K2NpO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.292
_cell_length_b   4.292
_cell_length_c   7.252
_cell_angle_alpha   107.206
_cell_angle_beta   107.211
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   121.326
_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  0.349  0.349  0.698  1.0
  K  K1  1  0.651  0.651  0.302  1.0
  Np  Np2  1  0.000  0.000  0.000  1.0
  O  O3  1  0.145  0.145  0.291  1.0
  O  O4  1  0.855  0.855  0.709  1.0
  O  O5  1  0.000  0.500  0.000  1.0
  O  O6  1  0.500  0.000  0.000  1.0
[/CIF]
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