The material structure described by Ni6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with eight equivalent Ni(4)F6 octahedra and edges with two equivalent Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Ni site, Ni(2) is bonded to one O(1), one F(1), one F(4), one F(5), and two equivalent F(2) atoms to form NiOF5 octahedra that share corners with four equivalent Ni(4)F6 octahedra, corners with four equivalent Ni(3)OF5 octahedra,  an edgeedge with one Ni(1)F6 octahedra, and  an edgeedge with one Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Ni site, Ni(3) is bonded to one O(1), one F(5), and four equivalent F(2) atoms to form NiOF5 octahedra that share corners with eight equivalent Ni(2)OF5 octahedra and edges with two equivalent Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fourth Ni site, Ni(4) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form NiF6 octahedra that share corners with four equivalent Ni(1)F6 octahedra, corners with four equivalent Ni(2)OF5 octahedra,  an edgeedge with one Ni(4)F6 octahedra, and  an edgeedge with one Ni(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. O(1) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(2) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Ni(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Ni6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.696
_cell_length_b   4.696
_cell_length_c   9.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.432
_symmetry_Int_Tables_number   1
_cell_volume   205.832
_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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.005  0.005  0.163  1.0
  Ni  Ni2  1  0.005  0.005  0.837  1.0
  Ni  Ni3  1  0.487  0.487  0.000  1.0
  Ni  Ni4  1  0.503  0.503  0.667  1.0
  Ni  Ni5  1  0.503  0.503  0.333  1.0
  O  O6  1  0.193  0.193  0.000  1.0
  F  F7  1  0.198  0.198  0.667  1.0
  F  F8  1  0.198  0.198  0.333  1.0
  F  F9  1  0.303  0.695  0.833  1.0
  F  F10  1  0.303  0.695  0.167  1.0
  F  F11  1  0.305  0.698  0.500  1.0
  F  F12  1  0.695  0.303  0.833  1.0
  F  F13  1  0.695  0.303  0.167  1.0
  F  F14  1  0.698  0.305  0.500  1.0
  F  F15  1  0.808  0.808  0.670  1.0
  F  F16  1  0.794  0.794  0.000  1.0
  F  F17  1  0.808  0.808  0.330  1.0
[/CIF]
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The material structure described by Ni6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form NiF6 octahedra that share corners with eight equivalent Ni(4)F6 octahedra and edges with two equivalent Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 50-52°. In the second Ni site, Ni(2) is bonded to one O(1), one F(1), one F(4), one F(5), and two equivalent F(2) atoms to form NiOF5 octahedra that share corners with four equivalent Ni(4)F6 octahedra, corners with four equivalent Ni(3)OF5 octahedra,  an edgeedge with one Ni(1)F6 octahedra, and  an edgeedge with one Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the third Ni site, Ni(3) is bonded to one O(1), one F(5), and four equivalent F(2) atoms to form NiOF5 octahedra that share corners with eight equivalent Ni(2)OF5 octahedra and edges with two equivalent Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fourth Ni site, Ni(4) is bonded to one F(1), one F(4), two equivalent F(2), and two equivalent F(3) atoms to form NiF6 octahedra that share corners with four equivalent Ni(1)F6 octahedra, corners with four equivalent Ni(2)OF5 octahedra,  an edgeedge with one Ni(4)F6 octahedra, and  an edgeedge with one Ni(3)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. O(1) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(2) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Ni(2), one Ni(3), and one Ni(4) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(4) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ni(1), one Ni(2), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Ni6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.696
_cell_length_b   4.696
_cell_length_c   9.334
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.432
_symmetry_Int_Tables_number   1
_cell_volume   205.832
_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
  Ni  Ni0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.005  0.005  0.163  1.0
  Ni  Ni2  1  0.005  0.005  0.837  1.0
  Ni  Ni3  1  0.487  0.487  0.000  1.0
  Ni  Ni4  1  0.503  0.503  0.667  1.0
  Ni  Ni5  1  0.503  0.503  0.333  1.0
  O  O6  1  0.193  0.193  0.000  1.0
  F  F7  1  0.198  0.198  0.667  1.0
  F  F8  1  0.198  0.198  0.333  1.0
  F  F9  1  0.303  0.695  0.833  1.0
  F  F10  1  0.303  0.695  0.167  1.0
  F  F11  1  0.305  0.698  0.500  1.0
  F  F12  1  0.695  0.303  0.833  1.0
  F  F13  1  0.695  0.303  0.167  1.0
  F  F14  1  0.698  0.305  0.500  1.0
  F  F15  1  0.808  0.808  0.670  1.0
  F  F16  1  0.794  0.794  0.000  1.0
  F  F17  1  0.808  0.808  0.330  1.0
[/CIF]
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