The material described by K3NpO2F5 crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form KF6 octahedra that share corners with six equivalent Np(1)O2F5 pentagonal bipyramids. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third K site, K(3) is bonded to four equivalent O(1) and four equivalent F(1) atoms to form distorted KO4F4 hexagonal bipyramids that share corners with four equivalent Np(1)O2F5 pentagonal bipyramids and edges with two equivalent Np(1)O2F5 pentagonal bipyramids. Np(1) is bonded to two equivalent O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form NpO2F5 pentagonal bipyramids that share corners with two equivalent K(3)O4F4 hexagonal bipyramids, corners with three equivalent K(1)F6 octahedra, and  an edgeedge with one K(3)O4F4 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-29°. O(1) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one Np(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded to one K(3), two equivalent K(2), and one Np(1) atom to form FK3Np tetrahedra that share corners with three equivalent F(3)K5Np octahedra, corners with four equivalent F(1)K3Np tetrahedra,  an edgeedge with one F(3)K5Np octahedra, and  an edgeedge with one F(1)K3Np tetrahedra. The corner-sharing octahedral tilt angles range from 13-37°. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one K(1), two equivalent K(2), and one Np(1) atom. In the third F site, F(3) is bonded to one K(1), four equivalent K(2), and one Np(1) atom to form distorted FK5Np octahedra that share  a cornercorner with one F(3)K5Np octahedra, corners with six equivalent F(1)K3Np tetrahedra, edges with two equivalent F(3)K5Np octahedra, and edges with two equivalent F(1)K3Np tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_K3NpO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.325
_cell_length_b   11.325
_cell_length_c   11.325
_cell_angle_alpha   131.347
_cell_angle_beta   131.347
_cell_angle_gamma   71.263
_symmetry_Int_Tables_number   1
_cell_volume   801.315
_cell_formula_units_Z   4
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  0.750  0.250  0.500  1.0
  K  K1  1  0.375  0.917  0.042  1.0
  K  K2  1  0.375  0.333  0.458  1.0
  K  K3  1  0.875  0.917  0.542  1.0
  K  K4  1  0.875  0.333  0.958  1.0
  K  K5  1  0.500  0.500  0.000  1.0
  K  K6  1  0.083  0.125  0.458  1.0
  K  K7  1  0.667  0.625  0.542  1.0
  K  K8  1  0.667  0.125  0.042  1.0
  K  K9  1  0.250  0.750  0.500  1.0
  K  K10  1  0.083  0.625  0.958  1.0
  K  K11  1  0.000  0.000  0.000  1.0
  Np  Np12  1  0.272  0.272  0.000  1.0
  Np  Np13  1  0.478  0.978  0.500  1.0
  Np  Np14  1  0.728  0.728  0.000  1.0
  Np  Np15  1  0.022  0.522  0.500  1.0
  O  O16  1  0.477  0.781  0.304  1.0
  O  O17  1  0.923  0.727  0.196  1.0
  O  O18  1  0.827  0.523  0.304  1.0
  O  O19  1  0.219  0.523  0.696  1.0
  O  O20  1  0.531  0.727  0.804  1.0
  O  O21  1  0.273  0.469  0.196  1.0
  O  O22  1  0.477  0.173  0.696  1.0
  O  O23  1  0.273  0.077  0.804  1.0
  F  F24  1  0.224  0.370  0.854  1.0
  F  F25  1  0.290  0.021  0.269  1.0
  F  F26  1  0.516  0.370  0.146  1.0
  F  F27  1  0.460  0.229  0.231  1.0
  F  F28  1  0.146  0.146  0.000  1.0
  F  F29  1  0.979  0.710  0.731  1.0
  F  F30  1  0.630  0.776  0.146  1.0
  F  F31  1  0.604  0.104  0.500  1.0
  F  F32  1  0.771  0.540  0.769  1.0
  F  F33  1  0.771  0.001  0.231  1.0
  F  F34  1  0.526  0.880  0.646  1.0
  F  F35  1  0.120  0.474  0.354  1.0
  F  F36  1  0.854  0.854  0.000  1.0
  F  F37  1  0.234  0.880  0.354  1.0
  F  F38  1  0.896  0.396  0.500  1.0
  F  F39  1  0.751  0.021  0.731  1.0
  F  F40  1  0.999  0.229  0.769  1.0
  F  F41  1  0.630  0.484  0.854  1.0
  F  F42  1  0.120  0.766  0.646  1.0
  F  F43  1  0.979  0.249  0.269  1.0
[/CIF]
.
The material described by K3NpO2F5 crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent K sites. In the first K site, K(1) is bonded to two equivalent F(3) and four equivalent F(2) atoms to form KF6 octahedra that share corners with six equivalent Np(1)O2F5 pentagonal bipyramids. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third K site, K(3) is bonded to four equivalent O(1) and four equivalent F(1) atoms to form distorted KO4F4 hexagonal bipyramids that share corners with four equivalent Np(1)O2F5 pentagonal bipyramids and edges with two equivalent Np(1)O2F5 pentagonal bipyramids. Np(1) is bonded to two equivalent O(1), one F(3), two equivalent F(1), and two equivalent F(2) atoms to form NpO2F5 pentagonal bipyramids that share corners with two equivalent K(3)O4F4 hexagonal bipyramids, corners with three equivalent K(1)F6 octahedra, and  an edgeedge with one K(3)O4F4 hexagonal bipyramid. The corner-sharing octahedral tilt angles range from 0-29°. O(1) is bonded in a distorted single-bond geometry to one K(3), two equivalent K(2), and one Np(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded to one K(3), two equivalent K(2), and one Np(1) atom to form FK3Np tetrahedra that share corners with three equivalent F(3)K5Np octahedra, corners with four equivalent F(1)K3Np tetrahedra,  an edgeedge with one F(3)K5Np octahedra, and  an edgeedge with one F(1)K3Np tetrahedra. The corner-sharing octahedral tilt angles range from 13-37°. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one K(1), two equivalent K(2), and one Np(1) atom. In the third F site, F(3) is bonded to one K(1), four equivalent K(2), and one Np(1) atom to form distorted FK5Np octahedra that share  a cornercorner with one F(3)K5Np octahedra, corners with six equivalent F(1)K3Np tetrahedra, edges with two equivalent F(3)K5Np octahedra, and edges with two equivalent F(1)K3Np tetrahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_K3NpO2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.325
_cell_length_b   11.325
_cell_length_c   11.325
_cell_angle_alpha   131.347
_cell_angle_beta   131.347
_cell_angle_gamma   71.263
_symmetry_Int_Tables_number   1
_cell_volume   801.315
_cell_formula_units_Z   4
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  0.750  0.250  0.500  1.0
  K  K1  1  0.375  0.917  0.042  1.0
  K  K2  1  0.375  0.333  0.458  1.0
  K  K3  1  0.875  0.917  0.542  1.0
  K  K4  1  0.875  0.333  0.958  1.0
  K  K5  1  0.500  0.500  0.000  1.0
  K  K6  1  0.083  0.125  0.458  1.0
  K  K7  1  0.667  0.625  0.542  1.0
  K  K8  1  0.667  0.125  0.042  1.0
  K  K9  1  0.250  0.750  0.500  1.0
  K  K10  1  0.083  0.625  0.958  1.0
  K  K11  1  0.000  0.000  0.000  1.0
  Np  Np12  1  0.272  0.272  0.000  1.0
  Np  Np13  1  0.478  0.978  0.500  1.0
  Np  Np14  1  0.728  0.728  0.000  1.0
  Np  Np15  1  0.022  0.522  0.500  1.0
  O  O16  1  0.477  0.781  0.304  1.0
  O  O17  1  0.923  0.727  0.196  1.0
  O  O18  1  0.827  0.523  0.304  1.0
  O  O19  1  0.219  0.523  0.696  1.0
  O  O20  1  0.531  0.727  0.804  1.0
  O  O21  1  0.273  0.469  0.196  1.0
  O  O22  1  0.477  0.173  0.696  1.0
  O  O23  1  0.273  0.077  0.804  1.0
  F  F24  1  0.224  0.370  0.854  1.0
  F  F25  1  0.290  0.021  0.269  1.0
  F  F26  1  0.516  0.370  0.146  1.0
  F  F27  1  0.460  0.229  0.231  1.0
  F  F28  1  0.146  0.146  0.000  1.0
  F  F29  1  0.979  0.710  0.731  1.0
  F  F30  1  0.630  0.776  0.146  1.0
  F  F31  1  0.604  0.104  0.500  1.0
  F  F32  1  0.771  0.540  0.769  1.0
  F  F33  1  0.771  0.001  0.231  1.0
  F  F34  1  0.526  0.880  0.646  1.0
  F  F35  1  0.120  0.474  0.354  1.0
  F  F36  1  0.854  0.854  0.000  1.0
  F  F37  1  0.234  0.880  0.354  1.0
  F  F38  1  0.896  0.396  0.500  1.0
  F  F39  1  0.751  0.021  0.731  1.0
  F  F40  1  0.999  0.229  0.769  1.0
  F  F41  1  0.630  0.484  0.854  1.0
  F  F42  1  0.120  0.766  0.646  1.0
  F  F43  1  0.979  0.249  0.269  1.0
[/CIF]
.