The crystal structure described by Li4Co2OF7 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 F(2), one F(3), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, and corners with six equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded to one O(1), one F(1), and two equivalent F(5) atoms to form LiOF3 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, and corners with six equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(1), one F(3), two equivalent F(4), and two equivalent F(5) atoms 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, and edges with four equivalent Co(1)OF5 octahedra. In the fourth Li site, Li(4) is bonded to one F(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms 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, and edges with four equivalent Co(1)OF5 octahedra. Co(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 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 in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent Co(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 Co(1) atoms. In the second F site, F(2) is bonded to one Li(1), one Li(4), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Co2 trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Li(3), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Co2 trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Co(1) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li4Co2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.969
_cell_length_c   5.975
_cell_angle_alpha   119.806
_cell_angle_beta   90.015
_cell_angle_gamma   119.546
_symmetry_Int_Tables_number   1
_cell_volume   149.900
_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  0.600  0.750  0.362  1.0
  Co  Co1  1  0.149  0.750  0.363  1.0
  F  F2  1  0.382  0.763  0.635  1.0
  F  F3  1  0.870  0.740  0.133  1.0
  F  F4  1  0.873  0.745  0.583  1.0
  F  F5  1  0.881  0.281  0.145  1.0
  F  F6  1  0.400  0.281  0.145  1.0
  F  F7  1  0.844  0.221  0.618  1.0
  F  F8  1  0.377  0.221  0.618  1.0
  Li  Li9  1  0.002  0.004  0.995  1.0
  Li  Li10  1  0.240  0.480  0.750  1.0
  Li  Li11  1  0.625  0.249  0.370  1.0
  Li  Li12  1  0.628  0.256  0.884  1.0
  O  O13  1  0.380  0.759  0.147  1.0
[/CIF]
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The crystal structure described by Li4Co2OF7 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 F(2), one F(3), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, and corners with six equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the second Li site, Li(2) is bonded to one O(1), one F(1), and two equivalent F(5) atoms to form LiOF3 tetrahedra that share corners with three equivalent Li(4)F6 octahedra, corners with three equivalent Li(3)OF5 octahedra, and corners with six equivalent Co(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. In the third Li site, Li(3) is bonded to one O(1), one F(3), two equivalent F(4), and two equivalent F(5) atoms 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, and edges with four equivalent Co(1)OF5 octahedra. In the fourth Li site, Li(4) is bonded to one F(1), one F(2), two equivalent F(4), and two equivalent F(5) atoms 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, and edges with four equivalent Co(1)OF5 octahedra. Co(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 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 in a rectangular see-saw-like geometry to one Li(2), one Li(3), and two equivalent Co(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 Co(1) atoms. In the second F site, F(2) is bonded to one Li(1), one Li(4), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Co2 trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Li(3), and two equivalent Co(1) atoms to form a mixture of distorted corner and edge-sharing FLi2Co2 trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(3), one Li(4), and one Co(1) atom. In the fifth F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Li(3), one Li(4), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li4Co2OF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.888
_cell_length_b   5.969
_cell_length_c   5.975
_cell_angle_alpha   119.806
_cell_angle_beta   90.015
_cell_angle_gamma   119.546
_symmetry_Int_Tables_number   1
_cell_volume   149.900
_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  0.600  0.750  0.362  1.0
  Co  Co1  1  0.149  0.750  0.363  1.0
  F  F2  1  0.382  0.763  0.635  1.0
  F  F3  1  0.870  0.740  0.133  1.0
  F  F4  1  0.873  0.745  0.583  1.0
  F  F5  1  0.881  0.281  0.145  1.0
  F  F6  1  0.400  0.281  0.145  1.0
  F  F7  1  0.844  0.221  0.618  1.0
  F  F8  1  0.377  0.221  0.618  1.0
  Li  Li9  1  0.002  0.004  0.995  1.0
  Li  Li10  1  0.240  0.480  0.750  1.0
  Li  Li11  1  0.625  0.249  0.370  1.0
  Li  Li12  1  0.628  0.256  0.884  1.0
  O  O13  1  0.380  0.759  0.147  1.0
[/CIF]
.