The material structure described by Li8FeCo3O8 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a trigonal non-coplanar geometry to one O(4), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Co(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Co(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing CoO4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(8), one Fe(1), and one Co(2) atom to form distorted OLi3FeCo trigonal bipyramids that share corners with two equivalent O(7)Li3Co2 trigonal bipyramids and corners with two equivalent O(6)Li3FeCo trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(5), one Co(1), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share corners with two equivalent O(7)Li3Co2 trigonal bipyramids and corners with two equivalent O(6)Li3FeCo trigonal bipyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Li(7), one Fe(1), and one Co(2) atom to form distorted OLi3FeCo trigonal bipyramids that share corners with two equivalent O(3)Li3Co2 trigonal bipyramids and corners with two equivalent O(2)Li3FeCo trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one Li(8), one Co(1), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share corners with two equivalent O(3)Li3Co2 trigonal bipyramids and corners with two equivalent O(2)Li3FeCo trigonal bipyramids. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Fe(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li8FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.513
_cell_length_c   6.998
_cell_angle_alpha   89.832
_cell_angle_beta   89.434
_cell_angle_gamma   89.174
_symmetry_Int_Tables_number   1
_cell_volume   207.073
_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  0.817  0.952  0.407  1.0
  Li  Li1  1  0.643  0.711  0.749  1.0
  Li  Li2  1  0.158  0.783  0.247  1.0
  Li  Li3  1  0.305  0.527  0.907  1.0
  Li  Li4  1  0.818  0.468  0.096  1.0
  Li  Li5  1  0.655  0.217  0.750  1.0
  Li  Li6  1  0.155  0.281  0.258  1.0
  Li  Li7  1  0.318  0.046  0.593  1.0
  Fe  Fe8  1  0.553  0.055  0.105  1.0
  Co  Co9  1  0.048  0.948  0.885  1.0
  Co  Co10  1  0.552  0.555  0.390  1.0
  Co  Co11  1  0.050  0.449  0.612  1.0
  O  O12  1  0.427  0.943  0.857  1.0
  O  O13  1  0.455  0.902  0.367  1.0
  O  O14  1  0.948  0.597  0.862  1.0
  O  O15  1  0.934  0.561  0.361  1.0
  O  O16  1  0.430  0.439  0.641  1.0
  O  O17  1  0.456  0.411  0.138  1.0
  O  O18  1  0.954  0.098  0.634  1.0
  O  O19  1  0.941  0.059  0.142  1.0
[/CIF]
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The material structure described by Li8FeCo3O8 crystallizes in the triclinic P1 space group. There are eight inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(3), and one O(5) atom. In the third Li site, Li(3) is bonded in a trigonal non-coplanar geometry to one O(2), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(6), and one O(8) atom. In the sixth Li site, Li(6) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(7) atom. In the seventh Li site, Li(7) is bonded in a trigonal non-coplanar geometry to one O(4), one O(6), and one O(8) atom. In the eighth Li site, Li(8) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(5), and one O(7) atom. Fe(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Co(1)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form CoO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Co(3)O4 tetrahedra. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO4 tetrahedra that share corners with two equivalent Fe(1)O4 tetrahedra and corners with two equivalent Co(3)O4 tetrahedra. In the third Co site, Co(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing CoO4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), one Fe(1), and one Co(1) atom. In the second O site, O(2) is bonded to one Li(1), one Li(3), one Li(8), one Fe(1), and one Co(2) atom to form distorted OLi3FeCo trigonal bipyramids that share corners with two equivalent O(7)Li3Co2 trigonal bipyramids and corners with two equivalent O(6)Li3FeCo trigonal bipyramids. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Li(5), one Co(1), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share corners with two equivalent O(7)Li3Co2 trigonal bipyramids and corners with two equivalent O(6)Li3FeCo trigonal bipyramids. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(4), one Li(6), one Li(8), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded to one Li(4), one Li(5), one Li(7), one Fe(1), and one Co(2) atom to form distorted OLi3FeCo trigonal bipyramids that share corners with two equivalent O(3)Li3Co2 trigonal bipyramids and corners with two equivalent O(2)Li3FeCo trigonal bipyramids. In the seventh O site, O(7) is bonded to one Li(1), one Li(6), one Li(8), one Co(1), and one Co(3) atom to form distorted OLi3Co2 trigonal bipyramids that share corners with two equivalent O(3)Li3Co2 trigonal bipyramids and corners with two equivalent O(2)Li3FeCo trigonal bipyramids. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(5), one Li(7), one Fe(1), and one Co(1) atom. is represented by the CIF card [CIF]
data_Li8FeCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.369
_cell_length_b   5.513
_cell_length_c   6.998
_cell_angle_alpha   89.832
_cell_angle_beta   89.434
_cell_angle_gamma   89.174
_symmetry_Int_Tables_number   1
_cell_volume   207.073
_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  0.817  0.952  0.407  1.0
  Li  Li1  1  0.643  0.711  0.749  1.0
  Li  Li2  1  0.158  0.783  0.247  1.0
  Li  Li3  1  0.305  0.527  0.907  1.0
  Li  Li4  1  0.818  0.468  0.096  1.0
  Li  Li5  1  0.655  0.217  0.750  1.0
  Li  Li6  1  0.155  0.281  0.258  1.0
  Li  Li7  1  0.318  0.046  0.593  1.0
  Fe  Fe8  1  0.553  0.055  0.105  1.0
  Co  Co9  1  0.048  0.948  0.885  1.0
  Co  Co10  1  0.552  0.555  0.390  1.0
  Co  Co11  1  0.050  0.449  0.612  1.0
  O  O12  1  0.427  0.943  0.857  1.0
  O  O13  1  0.455  0.902  0.367  1.0
  O  O14  1  0.948  0.597  0.862  1.0
  O  O15  1  0.934  0.561  0.361  1.0
  O  O16  1  0.430  0.439  0.641  1.0
  O  O17  1  0.456  0.411  0.138  1.0
  O  O18  1  0.954  0.098  0.634  1.0
  O  O19  1  0.941  0.059  0.142  1.0
[/CIF]
.