The crystal structure described by Li17(CoO4)4 crystallizes in the monoclinic Pm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(12) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Co(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(7) atoms. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(9) and two equivalent O(6) atoms. In the eighth Li site, Li(8) is bonded to one O(10), one O(11), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Co(3)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(8), and two equivalent O(6) atoms. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Co(4)O4 tetrahedra. In the eleventh Li site, Li(11) is bonded in a 3-coordinate geometry to one O(10) and two equivalent O(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids, and edges with two equivalent Li(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(3), one O(5), and two equivalent O(6) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Li(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(10), one O(8), and two equivalent O(7) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids, and edges with two equivalent Li(8)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(9), and two equivalent O(12) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(10)O4 trigonal pyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(5), two equivalent Li(1), two equivalent Li(4), and one Co(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(4), and one Co(2) atom to form distorted corner-sharing OLi5Co trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(5), two equivalent Li(3), two equivalent Li(6), and one Co(1) atom to form distorted OLi5Co trigonal pyramids that share corners with two equivalent O(8)Li5Co octahedra and edges with two equivalent O(7)Li4Co trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(3), two equivalent Li(6), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(4), one Li(6), one Li(7), one Li(8), one Li(9), and one Co(2) atom. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), and one Co(3) atom to form distorted OLi4Co trigonal bipyramids that share corners with two equivalent O(7)Li4Co trigonal bipyramids,  a cornercorner with one O(3)Li5Co trigonal pyramid,  an edgeedge with one O(8)Li5Co octahedra, and  an edgeedge with one O(4)Li5Co trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(9), two equivalent Li(10), two equivalent Li(6), and one Co(3) atom to form distorted OLi5Co octahedra that share corners with two equivalent O(4)Li5Co trigonal pyramids and edges with two equivalent O(7)Li4Co trigonal bipyramids. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(7), two equivalent Li(10), two equivalent Li(6), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(11), one Li(9), two equivalent Li(1), two equivalent Li(8), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(8), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(3), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17(CoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   7.442
_cell_length_c   7.893
_cell_angle_alpha   88.768
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.151
_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
  Li  Li0  1  0.248  0.502  0.985  1.0
  Li  Li1  1  0.752  0.502  0.985  1.0
  Li  Li2  1  0.500  0.766  0.067  1.0
  Li  Li3  1  0.245  0.984  0.160  1.0
  Li  Li4  1  0.755  0.984  0.160  1.0
  Li  Li5  1  0.256  0.467  0.338  1.0
  Li  Li6  1  0.744  0.467  0.338  1.0
  Li  Li7  1  0.000  0.242  0.454  1.0
  Li  Li8  1  0.725  0.007  0.509  1.0
  Li  Li9  1  0.275  0.007  0.509  1.0
  Li  Li10  1  0.000  0.753  0.537  1.0
  Li  Li11  1  0.235  0.495  0.669  1.0
  Li  Li12  1  0.765  0.495  0.669  1.0
  Li  Li13  1  0.500  0.753  0.722  1.0
  Li  Li14  1  0.759  0.037  0.826  1.0
  Li  Li15  1  0.241  0.037  0.826  1.0
  Li  Li16  1  0.500  0.252  0.949  1.0
  Co  Co17  1  0.000  0.237  0.122  1.0
  Co  Co18  1  0.500  0.727  0.383  1.0
  Co  Co19  1  0.500  0.271  0.621  1.0
  Co  Co20  1  0.000  0.774  0.873  1.0
  O  O21  1  0.231  0.212  0.009  1.0
  O  O22  1  0.769  0.212  0.009  1.0
  O  O23  1  0.000  0.450  0.222  1.0
  O  O24  1  0.500  0.557  0.220  1.0
  O  O25  1  0.000  0.053  0.284  1.0
  O  O26  1  0.500  0.943  0.279  1.0
  O  O27  1  0.279  0.704  0.512  1.0
  O  O28  1  0.721  0.704  0.512  1.0
  O  O29  1  0.257  0.289  0.523  1.0
  O  O30  1  0.743  0.289  0.523  1.0
  O  O31  1  0.500  0.026  0.705  1.0
  O  O32  1  0.000  0.945  0.702  1.0
  O  O33  1  0.500  0.465  0.796  1.0
  O  O34  1  0.000  0.548  0.801  1.0
  O  O35  1  0.239  0.801  0.976  1.0
  O  O36  1  0.761  0.801  0.976  1.0
[/CIF]
.
The crystal structure described by Li17(CoO4)4 crystallizes in the monoclinic Pm space group. There are eleven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(12) atoms to form distorted LiO4 trigonal pyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Co(4)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Co(2)O4 tetrahedra, and edges with two equivalent Li(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(1), one O(12), one O(4), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra,  an edgeedge with one Co(1)O4 tetrahedra,  an edgeedge with one Li(10)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the fourth Li site, Li(4) is bonded to one O(2), one O(3), one O(6), and one O(7) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Li(8)O4 tetrahedra, and  an edgeedge with one Co(2)O4 tetrahedra. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(2), one O(4), and two equivalent O(7) atoms. In the sixth Li site, Li(6) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one O(9) and two equivalent O(6) atoms. In the eighth Li site, Li(8) is bonded to one O(10), one O(11), one O(6), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra,  an edgeedge with one Li(4)O4 tetrahedra, and  an edgeedge with one Co(3)O4 tetrahedra. In the ninth Li site, Li(9) is bonded in a distorted rectangular see-saw-like geometry to one O(10), one O(8), and two equivalent O(6) atoms. In the tenth Li site, Li(10) is bonded to one O(1), one O(12), one O(8), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Co(1)O4 tetrahedra,  a cornercorner with one Co(3)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid, corners with two equivalent Li(10)O4 trigonal pyramids,  an edgeedge with one Li(3)O4 tetrahedra, and  an edgeedge with one Co(4)O4 tetrahedra. In the eleventh Li site, Li(11) is bonded in a 3-coordinate geometry to one O(10) and two equivalent O(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), and two equivalent O(1) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids, and edges with two equivalent Li(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(3), one O(5), and two equivalent O(6) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Li(4)O4 tetrahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the third Co site, Co(3) is bonded to one O(10), one O(8), and two equivalent O(7) atoms to form distorted CoO4 tetrahedra that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(10)O4 trigonal pyramids, and edges with two equivalent Li(8)O4 tetrahedra. In the fourth Co site, Co(4) is bonded to one O(11), one O(9), and two equivalent O(12) atoms to form CoO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(2)O4 trigonal pyramids, and edges with two equivalent Li(10)O4 trigonal pyramids. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(11), one Li(3), and one Co(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(5), two equivalent Li(1), two equivalent Li(4), and one Co(1) atom. In the third O site, O(3) is bonded to one Li(2), two equivalent Li(1), two equivalent Li(4), and one Co(2) atom to form distorted corner-sharing OLi5Co trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(5), two equivalent Li(3), two equivalent Li(6), and one Co(1) atom to form distorted OLi5Co trigonal pyramids that share corners with two equivalent O(8)Li5Co octahedra and edges with two equivalent O(7)Li4Co trigonal bipyramids. The corner-sharing octahedral tilt angles are 12°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Li(3), two equivalent Li(6), and one Co(2) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Li(4), one Li(6), one Li(7), one Li(8), one Li(9), and one Co(2) atom. In the seventh O site, O(7) is bonded to one Li(4), one Li(5), one Li(6), one Li(8), and one Co(3) atom to form distorted OLi4Co trigonal bipyramids that share corners with two equivalent O(7)Li4Co trigonal bipyramids,  a cornercorner with one O(3)Li5Co trigonal pyramid,  an edgeedge with one O(8)Li5Co octahedra, and  an edgeedge with one O(4)Li5Co trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(9), two equivalent Li(10), two equivalent Li(6), and one Co(3) atom to form distorted OLi5Co octahedra that share corners with two equivalent O(4)Li5Co trigonal pyramids and edges with two equivalent O(7)Li4Co trigonal bipyramids. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Li(7), two equivalent Li(10), two equivalent Li(6), and one Co(4) atom. In the tenth O site, O(10) is bonded in a 7-coordinate geometry to one Li(11), one Li(9), two equivalent Li(1), two equivalent Li(8), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(8), and one Co(4) atom. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Li(10), one Li(2), one Li(3), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li17(CoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.661
_cell_length_b   7.442
_cell_length_c   7.893
_cell_angle_alpha   88.768
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   391.151
_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
  Li  Li0  1  0.248  0.502  0.985  1.0
  Li  Li1  1  0.752  0.502  0.985  1.0
  Li  Li2  1  0.500  0.766  0.067  1.0
  Li  Li3  1  0.245  0.984  0.160  1.0
  Li  Li4  1  0.755  0.984  0.160  1.0
  Li  Li5  1  0.256  0.467  0.338  1.0
  Li  Li6  1  0.744  0.467  0.338  1.0
  Li  Li7  1  0.000  0.242  0.454  1.0
  Li  Li8  1  0.725  0.007  0.509  1.0
  Li  Li9  1  0.275  0.007  0.509  1.0
  Li  Li10  1  0.000  0.753  0.537  1.0
  Li  Li11  1  0.235  0.495  0.669  1.0
  Li  Li12  1  0.765  0.495  0.669  1.0
  Li  Li13  1  0.500  0.753  0.722  1.0
  Li  Li14  1  0.759  0.037  0.826  1.0
  Li  Li15  1  0.241  0.037  0.826  1.0
  Li  Li16  1  0.500  0.252  0.949  1.0
  Co  Co17  1  0.000  0.237  0.122  1.0
  Co  Co18  1  0.500  0.727  0.383  1.0
  Co  Co19  1  0.500  0.271  0.621  1.0
  Co  Co20  1  0.000  0.774  0.873  1.0
  O  O21  1  0.231  0.212  0.009  1.0
  O  O22  1  0.769  0.212  0.009  1.0
  O  O23  1  0.000  0.450  0.222  1.0
  O  O24  1  0.500  0.557  0.220  1.0
  O  O25  1  0.000  0.053  0.284  1.0
  O  O26  1  0.500  0.943  0.279  1.0
  O  O27  1  0.279  0.704  0.512  1.0
  O  O28  1  0.721  0.704  0.512  1.0
  O  O29  1  0.257  0.289  0.523  1.0
  O  O30  1  0.743  0.289  0.523  1.0
  O  O31  1  0.500  0.026  0.705  1.0
  O  O32  1  0.000  0.945  0.702  1.0
  O  O33  1  0.500  0.465  0.796  1.0
  O  O34  1  0.000  0.548  0.801  1.0
  O  O35  1  0.239  0.801  0.976  1.0
  O  O36  1  0.761  0.801  0.976  1.0
[/CIF]
.