The crystal structure described by NpZn(OF2)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to one O(4), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form distorted NpOF6 pentagonal bipyramids that share corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Np site, Np(2) is bonded to one O(1), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted NpOF6 pentagonal bipyramids that share corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. Zn(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(6) atom to form distorted ZnO2F4 octahedra that share corners with two equivalent Np(1)OF6 pentagonal bipyramids and corners with two equivalent Np(2)OF6 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Np(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Zn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Np(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Np(2) and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Np(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Np(2) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Np(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Np(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Np(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_NpZn(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.883
_cell_length_c   9.174
_cell_angle_alpha   79.621
_cell_angle_beta   79.621
_cell_angle_gamma   62.846
_symmetry_Int_Tables_number   1
_cell_volume   378.035
_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
  Np  Np0  1  0.267  0.733  0.000  1.0
  Np  Np1  1  0.481  0.519  0.500  1.0
  Zn  Zn2  1  0.380  0.144  0.246  1.0
  Zn  Zn3  1  0.856  0.620  0.754  1.0
  O  O4  1  0.733  0.267  0.500  1.0
  O  O5  1  0.075  0.272  0.231  1.0
  O  O6  1  0.728  0.925  0.769  1.0
  O  O7  1  0.675  0.947  0.262  1.0
  O  O8  1  0.053  0.325  0.738  1.0
  O  O9  1  0.014  0.986  0.000  1.0
  F  F10  1  0.343  0.858  0.435  1.0
  F  F11  1  0.142  0.657  0.565  1.0
  F  F12  1  0.417  0.386  0.075  1.0
  F  F13  1  0.614  0.583  0.925  1.0
  F  F14  1  0.366  0.317  0.417  1.0
  F  F15  1  0.683  0.634  0.583  1.0
  F  F16  1  0.594  0.554  0.278  1.0
  F  F17  1  0.446  0.406  0.722  1.0
  F  F18  1  0.161  0.702  0.223  1.0
  F  F19  1  0.298  0.839  0.777  1.0
  F  F20  1  0.391  0.928  0.069  1.0
  F  F21  1  0.072  0.609  0.931  1.0
[/CIF]
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The crystal structure described by NpZn(OF2)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded to one O(4), two equivalent F(2), two equivalent F(5), and two equivalent F(6) atoms to form distorted NpOF6 pentagonal bipyramids that share corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-38°. In the second Np site, Np(2) is bonded to one O(1), two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form distorted NpOF6 pentagonal bipyramids that share corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. Zn(1) is bonded to one O(2), one O(3), one F(1), one F(2), one F(3), and one F(6) atom to form distorted ZnO2F4 octahedra that share corners with two equivalent Np(1)OF6 pentagonal bipyramids and corners with two equivalent Np(2)OF6 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Np(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Zn(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Zn(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Np(1) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Np(2) and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Np(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Np(2) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Np(2) atom. In the fifth F site, F(5) is bonded in a single-bond geometry to one Np(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Np(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_NpZn(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.883
_cell_length_b   6.883
_cell_length_c   9.174
_cell_angle_alpha   79.621
_cell_angle_beta   79.621
_cell_angle_gamma   62.846
_symmetry_Int_Tables_number   1
_cell_volume   378.035
_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
  Np  Np0  1  0.267  0.733  0.000  1.0
  Np  Np1  1  0.481  0.519  0.500  1.0
  Zn  Zn2  1  0.380  0.144  0.246  1.0
  Zn  Zn3  1  0.856  0.620  0.754  1.0
  O  O4  1  0.733  0.267  0.500  1.0
  O  O5  1  0.075  0.272  0.231  1.0
  O  O6  1  0.728  0.925  0.769  1.0
  O  O7  1  0.675  0.947  0.262  1.0
  O  O8  1  0.053  0.325  0.738  1.0
  O  O9  1  0.014  0.986  0.000  1.0
  F  F10  1  0.343  0.858  0.435  1.0
  F  F11  1  0.142  0.657  0.565  1.0
  F  F12  1  0.417  0.386  0.075  1.0
  F  F13  1  0.614  0.583  0.925  1.0
  F  F14  1  0.366  0.317  0.417  1.0
  F  F15  1  0.683  0.634  0.583  1.0
  F  F16  1  0.594  0.554  0.278  1.0
  F  F17  1  0.446  0.406  0.722  1.0
  F  F18  1  0.161  0.702  0.223  1.0
  F  F19  1  0.298  0.839  0.777  1.0
  F  F20  1  0.391  0.928  0.069  1.0
  F  F21  1  0.072  0.609  0.931  1.0
[/CIF]
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