The structure described by Li4Ni2OF7 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(3), and two equivalent F(5) atoms to form LiOF3 tetrahedra that share corners with three equivalent Li(3)F6 octahedra, corners with three equivalent Li(4)OF5 octahedra, and corners with six equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Li site, Li(2) is bonded to one F(1), one F(2), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(3)F6 octahedra, corners with three equivalent Li(4)OF5 octahedra, and corners with six equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Li site, Li(3) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form LiF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra, edges with two equivalent Li(4)OF5 octahedra, and edges with four equivalent Ni(1)OF5 octahedra. In the fourth Li site, Li(4) is bonded to one O(1), one F(1), two equivalent F(4), and two equivalent F(5) atoms to form distorted LiOF5 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra, edges with two equivalent Li(3)F6 octahedra, and edges with four equivalent Ni(1)OF5 octahedra. Ni(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form NiOF5 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra, edges with two equivalent Li(3)F6 octahedra, edges with two equivalent Li(4)OF5 octahedra, and edges with two equivalent Ni(1)OF5 octahedra. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), and two equivalent Ni(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), and two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Ni(1) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(4), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing FLi3Ni trigonal pyramids. is represented by the CIF file [CIF]
data_Li4Ni2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.963
_cell_length_c   5.963
_cell_angle_alpha   119.709
_cell_angle_beta   119.159
_cell_angle_gamma   60.843
_symmetry_Int_Tables_number   1
_cell_volume   149.951
_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
  F  F0  1  0.728  0.248  0.752  1.0
  F  F1  1  0.257  0.254  0.746  1.0
  F  F2  1  0.746  0.744  0.256  1.0
  F  F3  1  0.270  0.719  0.745  1.0
  F  F4  1  0.270  0.255  0.281  1.0
  F  F5  1  0.734  0.747  0.719  1.0
  F  F6  1  0.735  0.281  0.254  1.0
  Li  Li7  1  0.852  0.889  0.111  1.0
  Li  Li8  1  0.133  0.114  0.886  1.0
  Li  Li9  1  0.003  0.502  0.498  1.0
  Li  Li10  1  0.528  0.481  0.519  1.0
  Ni  Ni11  1  0.492  0.993  0.495  1.0
  Ni  Ni12  1  0.492  0.505  0.007  1.0
  O  O13  1  0.259  0.769  0.231  1.0
[/CIF]
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The structure described by Li4Ni2OF7 is Spinel-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(3), and two equivalent F(5) atoms to form LiOF3 tetrahedra that share corners with three equivalent Li(3)F6 octahedra, corners with three equivalent Li(4)OF5 octahedra, and corners with six equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the second Li site, Li(2) is bonded to one F(1), one F(2), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(3)F6 octahedra, corners with three equivalent Li(4)OF5 octahedra, and corners with six equivalent Ni(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-60°. In the third Li site, Li(3) is bonded to one F(2), one F(3), two equivalent F(4), and two equivalent F(5) atoms to form LiF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra, edges with two equivalent Li(4)OF5 octahedra, and edges with four equivalent Ni(1)OF5 octahedra. In the fourth Li site, Li(4) is bonded to one O(1), one F(1), two equivalent F(4), and two equivalent F(5) atoms to form distorted LiOF5 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra, edges with two equivalent Li(3)F6 octahedra, and edges with four equivalent Ni(1)OF5 octahedra. Ni(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form NiOF5 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra, edges with two equivalent Li(3)F6 octahedra, edges with two equivalent Li(4)OF5 octahedra, and edges with two equivalent Ni(1)OF5 octahedra. O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), and two equivalent Ni(1) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), and two equivalent Ni(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent Ni(1) atoms. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), and two equivalent Ni(1) atoms. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Ni(1) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(3), one Li(4), and one Ni(1) atom to form a mixture of distorted edge and corner-sharing FLi3Ni trigonal pyramids. is represented by the CIF file [CIF]
data_Li4Ni2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.878
_cell_length_b   5.963
_cell_length_c   5.963
_cell_angle_alpha   119.709
_cell_angle_beta   119.159
_cell_angle_gamma   60.843
_symmetry_Int_Tables_number   1
_cell_volume   149.951
_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
  F  F0  1  0.728  0.248  0.752  1.0
  F  F1  1  0.257  0.254  0.746  1.0
  F  F2  1  0.746  0.744  0.256  1.0
  F  F3  1  0.270  0.719  0.745  1.0
  F  F4  1  0.270  0.255  0.281  1.0
  F  F5  1  0.734  0.747  0.719  1.0
  F  F6  1  0.735  0.281  0.254  1.0
  Li  Li7  1  0.852  0.889  0.111  1.0
  Li  Li8  1  0.133  0.114  0.886  1.0
  Li  Li9  1  0.003  0.502  0.498  1.0
  Li  Li10  1  0.528  0.481  0.519  1.0
  Ni  Ni11  1  0.492  0.993  0.495  1.0
  Ni  Ni12  1  0.492  0.505  0.007  1.0
  O  O13  1  0.259  0.769  0.231  1.0
[/CIF]
.