The material described by Ni6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(8) atoms to form NiF6 octahedra that share corners with two equivalent Ni(3)F6 octahedra, corners with two equivalent Ni(6)F6 octahedra, corners with four equivalent Ni(2)OF5 octahedra, and edges with two equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Ni site, Ni(2) is bonded to one O(1), one F(5), and four equivalent F(2) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(5)F6 octahedra, corners with two equivalent Ni(4)O2F4 octahedra, corners with four equivalent Ni(1)F6 octahedra, and edges with two equivalent Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Ni site, Ni(3) is bonded to one F(1), one F(6), and four equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with two equivalent Ni(4)O2F4 octahedra, corners with four equivalent Ni(5)F6 octahedra, and edges with two equivalent Ni(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(6) atoms to form NiO2F4 octahedra that share corners with two equivalent Ni(3)F6 octahedra, corners with two equivalent Ni(2)OF5 octahedra, corners with four equivalent Ni(6)F6 octahedra, and edges with two equivalent Ni(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Ni site, Ni(5) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms to form NiF6 octahedra that share corners with two equivalent Ni(6)F6 octahedra, corners with two equivalent Ni(2)OF5 octahedra, corners with four equivalent Ni(3)F6 octahedra, and edges with two equivalent Ni(5)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Ni site, Ni(6) is bonded to one F(7), one F(8), and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with two equivalent Ni(5)F6 octahedra, corners with four equivalent Ni(4)O2F4 octahedra, and edges with two equivalent Ni(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. O(1) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(4) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(6) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ni(5) and two equivalent Ni(3) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(5) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent Ni(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ni(6) and two equivalent Ni(5) atoms. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ni(6) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Ni6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.496
_cell_length_b   10.496
_cell_length_c   3.085
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.992
_symmetry_Int_Tables_number   1
_cell_volume   204.562
_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  0.001  0.999  0.000  1.0
  Ni  Ni1  1  0.498  0.502  0.500  1.0
  Ni  Ni2  1  0.168  0.832  0.500  1.0
  Ni  Ni3  1  0.337  0.663  0.000  1.0
  Ni  Ni4  1  0.665  0.335  0.000  1.0
  Ni  Ni5  1  0.833  0.167  0.500  1.0
  O  O6  1  0.398  0.602  0.500  1.0
  F  F7  1  0.066  0.934  0.500  1.0
  F  F8  1  0.698  0.699  0.000  1.0
  F  F9  1  0.638  0.971  0.000  1.0
  F  F10  1  0.301  0.302  0.000  1.0
  F  F11  1  0.970  0.636  0.000  1.0
  F  F12  1  0.599  0.401  0.500  1.0
  F  F13  1  0.269  0.731  0.500  1.0
  F  F14  1  0.731  0.269  0.500  1.0
  F  F15  1  0.029  0.362  0.000  1.0
  F  F16  1  0.364  0.030  0.000  1.0
  F  F17  1  0.934  0.066  0.500  1.0
[/CIF]
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The material described by Ni6OF11 is Hydrophilite-derived structured and crystallizes in the orthorhombic Amm2 space group. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(8) atoms to form NiF6 octahedra that share corners with two equivalent Ni(3)F6 octahedra, corners with two equivalent Ni(6)F6 octahedra, corners with four equivalent Ni(2)OF5 octahedra, and edges with two equivalent Ni(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Ni site, Ni(2) is bonded to one O(1), one F(5), and four equivalent F(2) atoms to form NiOF5 octahedra that share corners with two equivalent Ni(5)F6 octahedra, corners with two equivalent Ni(4)O2F4 octahedra, corners with four equivalent Ni(1)F6 octahedra, and edges with two equivalent Ni(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Ni site, Ni(3) is bonded to one F(1), one F(6), and four equivalent F(4) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with two equivalent Ni(4)O2F4 octahedra, corners with four equivalent Ni(5)F6 octahedra, and edges with two equivalent Ni(3)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(1), two equivalent F(3), and two equivalent F(6) atoms to form NiO2F4 octahedra that share corners with two equivalent Ni(3)F6 octahedra, corners with two equivalent Ni(2)OF5 octahedra, corners with four equivalent Ni(6)F6 octahedra, and edges with two equivalent Ni(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the fifth Ni site, Ni(5) is bonded to two equivalent F(4), two equivalent F(5), and two equivalent F(7) atoms to form NiF6 octahedra that share corners with two equivalent Ni(6)F6 octahedra, corners with two equivalent Ni(2)OF5 octahedra, corners with four equivalent Ni(3)F6 octahedra, and edges with two equivalent Ni(5)F6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Ni site, Ni(6) is bonded to one F(7), one F(8), and four equivalent F(3) atoms to form NiF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra, corners with two equivalent Ni(5)F6 octahedra, corners with four equivalent Ni(4)O2F4 octahedra, and edges with two equivalent Ni(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. O(1) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(4) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Ni(3) and two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Ni(4) and two equivalent Ni(6) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to one Ni(5) and two equivalent Ni(3) atoms. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(5) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ni(3) and two equivalent Ni(4) atoms. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ni(6) and two equivalent Ni(5) atoms. In the eighth F site, F(8) is bonded in a distorted trigonal planar geometry to one Ni(6) and two equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Ni6OF11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.496
_cell_length_b   10.496
_cell_length_c   3.085
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   142.992
_symmetry_Int_Tables_number   1
_cell_volume   204.562
_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  0.001  0.999  0.000  1.0
  Ni  Ni1  1  0.498  0.502  0.500  1.0
  Ni  Ni2  1  0.168  0.832  0.500  1.0
  Ni  Ni3  1  0.337  0.663  0.000  1.0
  Ni  Ni4  1  0.665  0.335  0.000  1.0
  Ni  Ni5  1  0.833  0.167  0.500  1.0
  O  O6  1  0.398  0.602  0.500  1.0
  F  F7  1  0.066  0.934  0.500  1.0
  F  F8  1  0.698  0.699  0.000  1.0
  F  F9  1  0.638  0.971  0.000  1.0
  F  F10  1  0.301  0.302  0.000  1.0
  F  F11  1  0.970  0.636  0.000  1.0
  F  F12  1  0.599  0.401  0.500  1.0
  F  F13  1  0.269  0.731  0.500  1.0
  F  F14  1  0.731  0.269  0.500  1.0
  F  F15  1  0.029  0.362  0.000  1.0
  F  F16  1  0.364  0.030  0.000  1.0
  F  F17  1  0.934  0.066  0.500  1.0
[/CIF]
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