The crystal structure described by NpNi(OF2)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Np site, Np(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms. Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one F(2), one F(3), one F(5), and one F(6) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Np(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Np(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Np(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Np(1) and one Ni(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Np(1) and one Ni(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Np(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Np(2) and one Ni(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Np(2) and one Ni(1) atom. is represented by the CIF card [CIF]
data_NpNi(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.733
_cell_length_c   8.447
_cell_angle_alpha   81.071
_cell_angle_beta   81.071
_cell_angle_gamma   60.106
_symmetry_Int_Tables_number   1
_cell_volume   326.586
_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  0.289  0.711  0.000  1.0
  Np  Np1  1  0.466  0.534  0.500  1.0
  Ni  Ni2  1  0.378  0.122  0.249  1.0
  Ni  Ni3  1  0.878  0.622  0.751  1.0
  O  O4  1  0.072  0.301  0.208  1.0
  O  O5  1  0.699  0.928  0.792  1.0
  O  O6  1  0.685  0.933  0.283  1.0
  O  O7  1  0.067  0.315  0.717  1.0
  O  O8  1  0.021  0.979  0.000  1.0
  O  O9  1  0.734  0.266  0.500  1.0
  F  F10  1  0.589  0.557  0.262  1.0
  F  F11  1  0.443  0.411  0.738  1.0
  F  F12  1  0.411  0.928  0.065  1.0
  F  F13  1  0.072  0.589  0.935  1.0
  F  F14  1  0.454  0.346  0.080  1.0
  F  F15  1  0.654  0.546  0.920  1.0
  F  F16  1  0.170  0.691  0.239  1.0
  F  F17  1  0.309  0.830  0.761  1.0
  F  F18  1  0.302  0.901  0.422  1.0
  F  F19  1  0.099  0.698  0.578  1.0
  F  F20  1  0.347  0.316  0.431  1.0
  F  F21  1  0.684  0.653  0.569  1.0
[/CIF]
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The crystal structure described by NpNi(OF2)3 crystallizes in the monoclinic C2 space group. There are two inequivalent Np sites. In the first Np site, Np(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent F(2), two equivalent F(3), and two equivalent F(4) atoms. In the second Np site, Np(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent F(1), two equivalent F(5), and two equivalent F(6) atoms. Ni(1) is bonded in an octahedral geometry to one O(1), one O(2), one F(2), one F(3), one F(5), and one F(6) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Np(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Np(2) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Np(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Np(1) and one Ni(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Np(1) and one Ni(1) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Np(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Np(2) and one Ni(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Np(2) and one Ni(1) atom. is represented by the CIF card [CIF]
data_NpNi(OF2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.733
_cell_length_b   6.733
_cell_length_c   8.447
_cell_angle_alpha   81.071
_cell_angle_beta   81.071
_cell_angle_gamma   60.106
_symmetry_Int_Tables_number   1
_cell_volume   326.586
_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  0.289  0.711  0.000  1.0
  Np  Np1  1  0.466  0.534  0.500  1.0
  Ni  Ni2  1  0.378  0.122  0.249  1.0
  Ni  Ni3  1  0.878  0.622  0.751  1.0
  O  O4  1  0.072  0.301  0.208  1.0
  O  O5  1  0.699  0.928  0.792  1.0
  O  O6  1  0.685  0.933  0.283  1.0
  O  O7  1  0.067  0.315  0.717  1.0
  O  O8  1  0.021  0.979  0.000  1.0
  O  O9  1  0.734  0.266  0.500  1.0
  F  F10  1  0.589  0.557  0.262  1.0
  F  F11  1  0.443  0.411  0.738  1.0
  F  F12  1  0.411  0.928  0.065  1.0
  F  F13  1  0.072  0.589  0.935  1.0
  F  F14  1  0.454  0.346  0.080  1.0
  F  F15  1  0.654  0.546  0.920  1.0
  F  F16  1  0.170  0.691  0.239  1.0
  F  F17  1  0.309  0.830  0.761  1.0
  F  F18  1  0.302  0.901  0.422  1.0
  F  F19  1  0.099  0.698  0.578  1.0
  F  F20  1  0.347  0.316  0.431  1.0
  F  F21  1  0.684  0.653  0.569  1.0
[/CIF]
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