The compound described by Li3WCo4O8 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)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. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent W(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)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. The corner-sharing octahedral tilt angles range from 5-6°. In the third Co site, Co(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one W(1), and two equivalent Co(2) atoms to form OLi3Co2W octahedra that share corners with six equivalent O(1)Li3Co2W octahedra, edges with four equivalent O(3)Li2Co4 octahedra, and edges with eight equivalent O(2)Li2Co3W octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one W(1), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3W octahedra that share corners with six equivalent O(2)Li2Co3W octahedra, edges with four equivalent O(2)Li2Co3W octahedra, edges with four equivalent O(3)Li2Co4 octahedra, and edges with four equivalent O(1)Li3Co2W octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Co(3), and two equivalent Co(2) atoms to form OLi2Co4 octahedra that share corners with six equivalent O(3)Li2Co4 octahedra, edges with four equivalent O(1)Li3Co2W octahedra, and edges with eight equivalent O(2)Li2Co3W octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li3Co4WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.015
_cell_length_c   6.175
_cell_angle_alpha   59.280
_cell_angle_beta   59.280
_cell_angle_gamma   61.564
_symmetry_Int_Tables_number   1
_cell_volume   157.959
_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  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.735  0.735  0.769  1.0
  O  O9  1  0.266  0.741  0.235  1.0
  O  O10  1  0.741  0.266  0.235  1.0
  O  O11  1  0.265  0.265  0.231  1.0
  O  O12  1  0.250  0.250  0.728  1.0
  O  O13  1  0.734  0.259  0.765  1.0
  O  O14  1  0.259  0.734  0.765  1.0
  O  O15  1  0.750  0.750  0.272  1.0
[/CIF]
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The compound described by Li3WCo4O8 is beta Polonium-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) 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(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)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. The corner-sharing octahedral tilt angles range from 5-6°. In the second Li site, Li(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent W(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. W(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form WO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)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. The corner-sharing octahedral tilt angles range from 5-6°. In the third Co site, Co(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent W(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-8°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), two equivalent Li(1), one W(1), and two equivalent Co(2) atoms to form OLi3Co2W octahedra that share corners with six equivalent O(1)Li3Co2W octahedra, edges with four equivalent O(3)Li2Co4 octahedra, and edges with eight equivalent O(2)Li2Co3W octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), one Li(2), one W(1), one Co(1), one Co(2), and one Co(3) atom to form OLi2Co3W octahedra that share corners with six equivalent O(2)Li2Co3W octahedra, edges with four equivalent O(2)Li2Co3W octahedra, edges with four equivalent O(3)Li2Co4 octahedra, and edges with four equivalent O(1)Li3Co2W octahedra. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(1), one Co(1), one Co(3), and two equivalent Co(2) atoms to form OLi2Co4 octahedra that share corners with six equivalent O(3)Li2Co4 octahedra, edges with four equivalent O(1)Li3Co2W octahedra, and edges with eight equivalent O(2)Li2Co3W octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_Li3Co4WO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.015
_cell_length_b   6.015
_cell_length_c   6.175
_cell_angle_alpha   59.280
_cell_angle_beta   59.280
_cell_angle_gamma   61.564
_symmetry_Int_Tables_number   1
_cell_volume   157.959
_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  0.000  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Co  Co3  1  0.000  0.000  0.000  1.0
  Co  Co4  1  0.500  0.000  0.500  1.0
  Co  Co5  1  0.000  0.500  0.500  1.0
  Co  Co6  1  0.500  0.500  0.500  1.0
  W  W7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.735  0.735  0.769  1.0
  O  O9  1  0.266  0.741  0.235  1.0
  O  O10  1  0.741  0.266  0.235  1.0
  O  O11  1  0.265  0.265  0.231  1.0
  O  O12  1  0.250  0.250  0.728  1.0
  O  O13  1  0.734  0.259  0.765  1.0
  O  O14  1  0.259  0.734  0.765  1.0
  O  O15  1  0.750  0.750  0.272  1.0
[/CIF]
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