The material structure described by Li4Co2OF7 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), one F(4), and one F(5) atom to form LiF4 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(6), and one F(7) atom to form LiOF3 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the third Li site, Li(3) is bonded to one O(1), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form LiOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Co(1)OF5 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the fourth Li site, Li(4) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(7) atom to form LiF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Co(1)OF5 octahedra, and edges with two equivalent Co(2)OF5 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(2), one F(3), one F(5), and one F(7) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Co(1)OF5 octahedra. O(1) is bonded to one Li(2), one Li(3), one Co(1), and one Co(2) atom to form distorted OLi2Co2 trigonal pyramids that share corners with two equivalent F(4)Li3Co trigonal pyramids. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one Co(2) atom. In the second F site, F(4) is bonded to one Li(1), one Li(3), one Li(4), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share corners with two equivalent O(1)Li2Co2 trigonal pyramids. In the third F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Co(2) atom. In the fourth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Co(1) atom. In the fifth F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Co(2) atom. In the sixth F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(1), and one Co(2) atom. In the seventh F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Li4Co2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.904
_cell_length_b   6.043
_cell_length_c   5.975
_cell_angle_alpha   120.373
_cell_angle_beta   119.191
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   151.717
_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
  Co  Co0  1  0.359  0.613  0.750  1.0
  Co  Co1  1  0.359  0.137  0.750  1.0
  F  F2  1  0.629  0.381  0.762  1.0
  F  F3  1  0.128  0.870  0.740  1.0
  F  F4  1  0.590  0.874  0.747  1.0
  F  F5  1  0.144  0.873  0.277  1.0
  F  F6  1  0.143  0.405  0.277  1.0
  F  F7  1  0.618  0.848  0.224  1.0
  F  F8  1  0.618  0.376  0.224  1.0
  Li  Li9  1  0.000  0.010  0.020  1.0
  Li  Li10  1  0.749  0.241  0.481  1.0
  Li  Li11  1  0.378  0.626  0.253  1.0
  Li  Li12  1  0.876  0.621  0.243  1.0
  O  O13  1  0.160  0.376  0.752  1.0
[/CIF]
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The material structure described by Li4Co2OF7 is Spinel-derived structured and crystallizes in the monoclinic Cc space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), one F(4), and one F(5) atom to form LiF4 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. In the second Li site, Li(2) is bonded to one O(1), one F(1), one F(6), and one F(7) atom to form LiOF3 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, corners with three equivalent Co(1)OF5 octahedra, and corners with three equivalent Co(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 53-61°. In the third Li site, Li(3) is bonded to one O(1), one F(3), one F(4), one F(5), one F(6), and one F(7) atom to form LiOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Co(1)OF5 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the fourth Li site, Li(4) is bonded to one F(1), one F(2), one F(4), one F(5), one F(6), and one F(7) atom to form LiF6 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(3)OF5 octahedra, edges with two equivalent Co(1)OF5 octahedra, and edges with two equivalent Co(2)OF5 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one F(1), one F(2), one F(3), one F(4), and one F(6) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Co(2)OF5 octahedra. In the second Co site, Co(2) is bonded to one O(1), one F(1), one F(2), one F(3), one F(5), and one F(7) atom to form CoOF5 octahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)OF3 tetrahedra, edges with two equivalent Li(4)F6 octahedra, edges with two equivalent Li(3)OF5 octahedra, and edges with two equivalent Co(1)OF5 octahedra. O(1) is bonded to one Li(2), one Li(3), one Co(1), and one Co(2) atom to form distorted OLi2Co2 trigonal pyramids that share corners with two equivalent F(4)Li3Co trigonal pyramids. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Co(1), and one Co(2) atom. In the second F site, F(4) is bonded to one Li(1), one Li(3), one Li(4), and one Co(1) atom to form distorted FLi3Co trigonal pyramids that share corners with two equivalent O(1)Li2Co2 trigonal pyramids. In the third F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Co(2) atom. In the fourth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Co(1) atom. In the fifth F site, F(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Co(2) atom. In the sixth F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(4), one Co(1), and one Co(2) atom. In the seventh F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(4), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_Li4Co2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.904
_cell_length_b   6.043
_cell_length_c   5.975
_cell_angle_alpha   120.373
_cell_angle_beta   119.191
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   151.717
_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
  Co  Co0  1  0.359  0.613  0.750  1.0
  Co  Co1  1  0.359  0.137  0.750  1.0
  F  F2  1  0.629  0.381  0.762  1.0
  F  F3  1  0.128  0.870  0.740  1.0
  F  F4  1  0.590  0.874  0.747  1.0
  F  F5  1  0.144  0.873  0.277  1.0
  F  F6  1  0.143  0.405  0.277  1.0
  F  F7  1  0.618  0.848  0.224  1.0
  F  F8  1  0.618  0.376  0.224  1.0
  Li  Li9  1  0.000  0.010  0.020  1.0
  Li  Li10  1  0.749  0.241  0.481  1.0
  Li  Li11  1  0.378  0.626  0.253  1.0
  Li  Li12  1  0.876  0.621  0.243  1.0
  O  O13  1  0.160  0.376  0.752  1.0
[/CIF]
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