The crystal structure described by Li4Co3Sb5O16 is beta indium sulfide-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 O(2), one O(8), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra, corners with three equivalent Sb(3)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(12) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(6), and two equivalent O(9) atoms. In the fourth Li site, Li(4) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with four equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Co site, Co(2) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(9) atoms. In the second Sb site, Sb(2) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the third Sb site, Sb(3) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form SbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Sb(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth Sb site, Sb(4) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(4) and two equivalent Sb(4) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sb(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(3), one Co(1), and two equivalent Sb(4) atoms. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Co(2), and one Sb(2) atom to form distorted corner-sharing OLiCo2Sb tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Sb(3), and two equivalent Sb(4) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Co(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded to one Li(4), two equivalent Co(2), and one Sb(2) atom to form distorted corner-sharing OLiCo2Sb trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Co(2), and one Sb(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Sb(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one Sb(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Sb(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Sb(3), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co3Sb5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.191
_cell_length_b   6.217
_cell_length_c   10.389
_cell_angle_alpha   89.595
_cell_angle_beta   89.999
_cell_angle_gamma   119.863
_symmetry_Int_Tables_number   1
_cell_volume   346.801
_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  0.826  0.652  0.790  1.0
  Co  Co1  1  0.668  0.842  0.280  1.0
  Co  Co2  1  0.175  0.842  0.280  1.0
  Li  Li3  1  0.663  0.325  0.100  1.0
  Li  Li4  1  0.990  0.980  0.016  1.0
  Li  Li5  1  0.001  0.001  0.496  1.0
  Li  Li6  1  0.321  0.642  0.621  1.0
  O  O7  1  0.500  1.000  0.692  1.0
  O  O8  1  0.653  0.305  0.899  1.0
  O  O9  1  0.003  0.005  0.687  1.0
  O  O10  1  0.011  0.022  0.188  1.0
  O  O11  1  0.146  0.291  0.903  1.0
  O  O12  1  0.847  0.694  0.395  1.0
  O  O13  1  0.329  0.657  0.378  1.0
  O  O14  1  0.484  0.969  0.148  1.0
  O  O15  1  0.860  0.188  0.386  1.0
  O  O16  1  0.328  0.188  0.386  1.0
  O  O17  1  0.976  0.471  0.690  1.0
  O  O18  1  0.495  0.471  0.690  1.0
  O  O19  1  0.476  0.512  0.149  1.0
  O  O20  1  0.037  0.512  0.149  1.0
  O  O21  1  0.692  0.852  0.904  1.0
  O  O22  1  0.160  0.852  0.904  1.0
  Sb  Sb23  1  0.681  0.361  0.480  1.0
  Sb  Sb24  1  0.174  0.348  0.275  1.0
  Sb  Sb25  1  0.347  0.693  0.022  1.0
  Sb  Sb26  1  0.828  0.161  0.790  1.0
  Sb  Sb27  1  0.333  0.161  0.790  1.0
[/CIF]
.
The crystal structure described by Li4Co3Sb5O16 is beta indium sulfide-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 O(2), one O(8), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with two equivalent Sb(4)O6 octahedra, corners with three equivalent Sb(3)O6 octahedra, and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(12) atoms. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(3), one O(6), and two equivalent O(9) atoms. In the fourth Li site, Li(4) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with four equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-60°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms to form CoO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, and edges with four equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the second Co site, Co(2) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Sb(2)O6 octahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one O(6) and two equivalent O(9) atoms. In the second Sb site, Sb(2) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(3)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. In the third Sb site, Sb(3) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form SbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Sb(4)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Sb(2)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-55°. In the fourth Sb site, Sb(4) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form SbO6 octahedra that share corners with two equivalent Sb(3)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Sb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(4) and two equivalent Sb(4) atoms. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), and two equivalent Sb(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal pyramidal geometry to one Li(3), one Co(1), and two equivalent Sb(4) atoms. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Co(2), and one Sb(2) atom to form distorted corner-sharing OLiCo2Sb tetrahedra. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Sb(3), and two equivalent Sb(4) atoms. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Co(2), and one Sb(1) atom. In the seventh O site, O(7) is bonded to one Li(4), two equivalent Co(2), and one Sb(2) atom to form distorted corner-sharing OLiCo2Sb trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Co(2), and one Sb(3) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Co(2), one Sb(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Co(1), and one Sb(4) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(2), one Sb(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Co(1), one Sb(3), and one Sb(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li4Co3Sb5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.191
_cell_length_b   6.217
_cell_length_c   10.389
_cell_angle_alpha   89.595
_cell_angle_beta   89.999
_cell_angle_gamma   119.863
_symmetry_Int_Tables_number   1
_cell_volume   346.801
_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  0.826  0.652  0.790  1.0
  Co  Co1  1  0.668  0.842  0.280  1.0
  Co  Co2  1  0.175  0.842  0.280  1.0
  Li  Li3  1  0.663  0.325  0.100  1.0
  Li  Li4  1  0.990  0.980  0.016  1.0
  Li  Li5  1  0.001  0.001  0.496  1.0
  Li  Li6  1  0.321  0.642  0.621  1.0
  O  O7  1  0.500  1.000  0.692  1.0
  O  O8  1  0.653  0.305  0.899  1.0
  O  O9  1  0.003  0.005  0.687  1.0
  O  O10  1  0.011  0.022  0.188  1.0
  O  O11  1  0.146  0.291  0.903  1.0
  O  O12  1  0.847  0.694  0.395  1.0
  O  O13  1  0.329  0.657  0.378  1.0
  O  O14  1  0.484  0.969  0.148  1.0
  O  O15  1  0.860  0.188  0.386  1.0
  O  O16  1  0.328  0.188  0.386  1.0
  O  O17  1  0.976  0.471  0.690  1.0
  O  O18  1  0.495  0.471  0.690  1.0
  O  O19  1  0.476  0.512  0.149  1.0
  O  O20  1  0.037  0.512  0.149  1.0
  O  O21  1  0.692  0.852  0.904  1.0
  O  O22  1  0.160  0.852  0.904  1.0
  Sb  Sb23  1  0.681  0.361  0.480  1.0
  Sb  Sb24  1  0.174  0.348  0.275  1.0
  Sb  Sb25  1  0.347  0.693  0.022  1.0
  Sb  Sb26  1  0.828  0.161  0.790  1.0
  Sb  Sb27  1  0.333  0.161  0.790  1.0
[/CIF]
.