The material described by Li5CoO4 crystallizes in the orthorhombic Pnnm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Li(3)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with four equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(4)O4 trigonal pyramids, and edges with two equivalent Li(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li5CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.683
_cell_length_b   7.081
_cell_length_c   7.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.243
_cell_formula_units_Z   4
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
  Li  Li0  1  0.757  0.500  0.000  1.0
  Li  Li1  1  0.243  0.500  0.000  1.0
  Li  Li2  1  0.500  0.744  0.098  1.0
  Li  Li3  1  0.745  0.978  0.156  1.0
  Li  Li4  1  0.255  0.978  0.156  1.0
  Li  Li5  1  0.500  0.242  0.204  1.0
  Li  Li6  1  0.000  0.742  0.296  1.0
  Li  Li7  1  0.755  0.478  0.344  1.0
  Li  Li8  1  0.245  0.478  0.344  1.0
  Li  Li9  1  0.000  0.244  0.402  1.0
  Li  Li10  1  0.257  0.000  0.500  1.0
  Li  Li11  1  0.743  0.000  0.500  1.0
  Li  Li12  1  0.000  0.756  0.598  1.0
  Li  Li13  1  0.755  0.522  0.656  1.0
  Li  Li14  1  0.245  0.522  0.656  1.0
  Li  Li15  1  0.000  0.258  0.704  1.0
  Li  Li16  1  0.500  0.758  0.796  1.0
  Li  Li17  1  0.745  0.022  0.844  1.0
  Li  Li18  1  0.255  0.022  0.844  1.0
  Li  Li19  1  0.500  0.256  0.902  1.0
  Co  Co20  1  0.000  0.232  0.103  1.0
  Co  Co21  1  0.500  0.732  0.397  1.0
  Co  Co22  1  0.500  0.268  0.603  1.0
  Co  Co23  1  0.000  0.768  0.897  1.0
  O  O24  1  0.740  0.218  0.024  1.0
  O  O25  1  0.260  0.218  0.024  1.0
  O  O26  1  0.000  0.469  0.216  1.0
  O  O27  1  0.500  0.523  0.237  1.0
  O  O28  1  0.000  0.023  0.263  1.0
  O  O29  1  0.500  0.969  0.284  1.0
  O  O30  1  0.760  0.718  0.476  1.0
  O  O31  1  0.240  0.718  0.476  1.0
  O  O32  1  0.760  0.282  0.524  1.0
  O  O33  1  0.240  0.282  0.524  1.0
  O  O34  1  0.500  0.031  0.716  1.0
  O  O35  1  0.000  0.977  0.737  1.0
  O  O36  1  0.500  0.477  0.763  1.0
  O  O37  1  0.000  0.531  0.784  1.0
  O  O38  1  0.740  0.782  0.976  1.0
  O  O39  1  0.260  0.782  0.976  1.0
[/CIF]
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The material described by Li5CoO4 crystallizes in the orthorhombic Pnnm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. In the third Li site, Li(3) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Co(1)O4 tetrahedra, corners with two equivalent Li(4)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Li(3)O4 tetrahedra, corners with four equivalent Co(1)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. Co(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form distorted CoO4 tetrahedra that share corners with four equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(4)O4 trigonal pyramids, and edges with two equivalent Li(3)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(4), two equivalent Li(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(2), one Li(4), two equivalent Li(1), two equivalent Li(3), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li5CoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.683
_cell_length_b   7.081
_cell_length_c   7.993
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.243
_cell_formula_units_Z   4
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
  Li  Li0  1  0.757  0.500  0.000  1.0
  Li  Li1  1  0.243  0.500  0.000  1.0
  Li  Li2  1  0.500  0.744  0.098  1.0
  Li  Li3  1  0.745  0.978  0.156  1.0
  Li  Li4  1  0.255  0.978  0.156  1.0
  Li  Li5  1  0.500  0.242  0.204  1.0
  Li  Li6  1  0.000  0.742  0.296  1.0
  Li  Li7  1  0.755  0.478  0.344  1.0
  Li  Li8  1  0.245  0.478  0.344  1.0
  Li  Li9  1  0.000  0.244  0.402  1.0
  Li  Li10  1  0.257  0.000  0.500  1.0
  Li  Li11  1  0.743  0.000  0.500  1.0
  Li  Li12  1  0.000  0.756  0.598  1.0
  Li  Li13  1  0.755  0.522  0.656  1.0
  Li  Li14  1  0.245  0.522  0.656  1.0
  Li  Li15  1  0.000  0.258  0.704  1.0
  Li  Li16  1  0.500  0.758  0.796  1.0
  Li  Li17  1  0.745  0.022  0.844  1.0
  Li  Li18  1  0.255  0.022  0.844  1.0
  Li  Li19  1  0.500  0.256  0.902  1.0
  Co  Co20  1  0.000  0.232  0.103  1.0
  Co  Co21  1  0.500  0.732  0.397  1.0
  Co  Co22  1  0.500  0.268  0.603  1.0
  Co  Co23  1  0.000  0.768  0.897  1.0
  O  O24  1  0.740  0.218  0.024  1.0
  O  O25  1  0.260  0.218  0.024  1.0
  O  O26  1  0.000  0.469  0.216  1.0
  O  O27  1  0.500  0.523  0.237  1.0
  O  O28  1  0.000  0.023  0.263  1.0
  O  O29  1  0.500  0.969  0.284  1.0
  O  O30  1  0.760  0.718  0.476  1.0
  O  O31  1  0.240  0.718  0.476  1.0
  O  O32  1  0.760  0.282  0.524  1.0
  O  O33  1  0.240  0.282  0.524  1.0
  O  O34  1  0.500  0.031  0.716  1.0
  O  O35  1  0.000  0.977  0.737  1.0
  O  O36  1  0.500  0.477  0.763  1.0
  O  O37  1  0.000  0.531  0.784  1.0
  O  O38  1  0.740  0.782  0.976  1.0
  O  O39  1  0.260  0.782  0.976  1.0
[/CIF]
.