The material structure described by Li3Co3SbO8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form distorted OLi3Co3 octahedra that share corners with six equivalent O(1)Li3Co3 octahedra, edges with four equivalent O(2)Li2Co2Sb square pyramids, edges with four equivalent O(3)Li2Co2Sb square pyramids, and edges with four equivalent O(4)Li2Co2Sb square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Co(2), one Co(3), and one Sb(1) atom to form OLi2Co2Sb square pyramids that share corners with two equivalent O(3)Li2Co2Sb square pyramids, corners with two equivalent O(4)Li2Co2Sb square pyramids, corners with five equivalent O(2)Li2Co2Sb square pyramids, edges with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li2Co2Sb square pyramids, and edges with two equivalent O(4)Li2Co2Sb square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Co(1), one Co(3), and one Sb(1) atom to form OLi2Co2Sb square pyramids that share corners with two equivalent O(2)Li2Co2Sb square pyramids, corners with two equivalent O(4)Li2Co2Sb square pyramids, corners with five equivalent O(3)Li2Co2Sb square pyramids, edges with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li2Co2Sb square pyramids, and edges with two equivalent O(4)Li2Co2Sb square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Sb(1) atom to form OLi2Co2Sb square pyramids that share corners with two equivalent O(2)Li2Co2Sb square pyramids, corners with two equivalent O(3)Li2Co2Sb square pyramids, corners with five equivalent O(4)Li2Co2Sb square pyramids, edges with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li2Co2Sb square pyramids, and edges with two equivalent O(3)Li2Co2Sb square pyramids. is represented by the CIF file [CIF]
data_Li3Co3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.513
_cell_length_b   10.500
_cell_length_c   14.828
_cell_angle_alpha   19.375
_cell_angle_beta   19.513
_cell_angle_gamma   33.606
_symmetry_Int_Tables_number   1
_cell_volume   156.209
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.013  0.969  0.282  1.0
  O  O8  1  0.935  0.500  0.299  1.0
  O  O9  1  0.528  0.045  0.215  1.0
  O  O10  1  0.987  0.031  0.718  1.0
  O  O11  1  0.470  0.449  0.307  1.0
  O  O12  1  0.065  0.500  0.701  1.0
  O  O13  1  0.472  0.955  0.785  1.0
  O  O14  1  0.530  0.551  0.693  1.0
[/CIF]
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The material structure described by Li3Co3SbO8 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Li site, Li(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form LiO6 octahedra that share corners with six equivalent Co(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Li site, Li(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with six equivalent Co(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. In the third Co site, Co(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CoO6 octahedra that share corners with six equivalent Li(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. Sb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SbO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Li(3), one Co(1), one Co(2), and one Co(3) atom to form distorted OLi3Co3 octahedra that share corners with six equivalent O(1)Li3Co3 octahedra, edges with four equivalent O(2)Li2Co2Sb square pyramids, edges with four equivalent O(3)Li2Co2Sb square pyramids, and edges with four equivalent O(4)Li2Co2Sb square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Co(2), one Co(3), and one Sb(1) atom to form OLi2Co2Sb square pyramids that share corners with two equivalent O(3)Li2Co2Sb square pyramids, corners with two equivalent O(4)Li2Co2Sb square pyramids, corners with five equivalent O(2)Li2Co2Sb square pyramids, edges with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(3)Li2Co2Sb square pyramids, and edges with two equivalent O(4)Li2Co2Sb square pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Co(1), one Co(3), and one Sb(1) atom to form OLi2Co2Sb square pyramids that share corners with two equivalent O(2)Li2Co2Sb square pyramids, corners with two equivalent O(4)Li2Co2Sb square pyramids, corners with five equivalent O(3)Li2Co2Sb square pyramids, edges with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li2Co2Sb square pyramids, and edges with two equivalent O(4)Li2Co2Sb square pyramids. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Co(1), one Co(2), and one Sb(1) atom to form OLi2Co2Sb square pyramids that share corners with two equivalent O(2)Li2Co2Sb square pyramids, corners with two equivalent O(3)Li2Co2Sb square pyramids, corners with five equivalent O(4)Li2Co2Sb square pyramids, edges with four equivalent O(1)Li3Co3 octahedra, edges with two equivalent O(2)Li2Co2Sb square pyramids, and edges with two equivalent O(3)Li2Co2Sb square pyramids. is represented by the CIF file [CIF]
data_Li3Co3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.513
_cell_length_b   10.500
_cell_length_c   14.828
_cell_angle_alpha   19.375
_cell_angle_beta   19.513
_cell_angle_gamma   33.606
_symmetry_Int_Tables_number   1
_cell_volume   156.209
_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  0.000  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.500  1.0
  Li  Li2  1  0.500  0.500  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.500  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  Sb  Sb6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.013  0.969  0.282  1.0
  O  O8  1  0.935  0.500  0.299  1.0
  O  O9  1  0.528  0.045  0.215  1.0
  O  O10  1  0.987  0.031  0.718  1.0
  O  O11  1  0.470  0.449  0.307  1.0
  O  O12  1  0.065  0.500  0.701  1.0
  O  O13  1  0.472  0.955  0.785  1.0
  O  O14  1  0.530  0.551  0.693  1.0
[/CIF]
.