The structure described by Li3Cu4SbO8 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Sb(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share edges with two equivalent Cu(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cu(2), and one Sb(1) atom to form distorted OLi2Cu2Sb square pyramids that share corners with four equivalent O(2)Li2Cu3Sb octahedra, corners with five equivalent O(1)Li2Cu2Sb square pyramids, edges with four equivalent O(2)Li2Cu3Sb octahedra, and edges with four equivalent O(3)Li2Cu3 square pyramids. The corner-sharing octahedral tilt angles range from 79-82°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form distorted OLi2Cu3Sb octahedra that share corners with six equivalent O(2)Li2Cu3Sb octahedra, corners with two equivalent O(1)Li2Cu2Sb square pyramids, corners with two equivalent O(3)Li2Cu3 square pyramids, edges with four equivalent O(2)Li2Cu3Sb octahedra, edges with two equivalent O(1)Li2Cu2Sb square pyramids, and edges with two equivalent O(3)Li2Cu3 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted OLi2Cu3 square pyramids that share corners with four equivalent O(2)Li2Cu3Sb octahedra, corners with five equivalent O(3)Li2Cu3 square pyramids, edges with four equivalent O(2)Li2Cu3Sb octahedra, and edges with four equivalent O(1)Li2Cu2Sb square pyramids. The corner-sharing octahedral tilt angles range from 80-84°. is represented by the CIF file [CIF]
data_Li3Cu4SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   6.203
_cell_length_c   5.836
_cell_angle_alpha   63.451
_cell_angle_beta   63.451
_cell_angle_gamma   56.881
_symmetry_Int_Tables_number   1
_cell_volume   161.960
_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
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.717  0.717  0.764  1.0
  O  O9  1  0.292  0.752  0.235  1.0
  O  O10  1  0.752  0.292  0.235  1.0
  O  O11  1  0.283  0.283  0.236  1.0
  O  O12  1  0.209  0.209  0.759  1.0
  O  O13  1  0.708  0.248  0.765  1.0
  O  O14  1  0.248  0.708  0.765  1.0
  O  O15  1  0.791  0.791  0.241  1.0
[/CIF]
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The structure described by Li3Cu4SbO8 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 edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with two equivalent Sb(1)O6 octahedra. In the second Li site, Li(2) is bonded in a distorted square co-planar geometry to four equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CuO6 octahedra that share edges with two equivalent Sb(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. In the second Cu site, Cu(2) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Cu site, Cu(3) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share edges with two equivalent Cu(1)O6 octahedra and edges with four equivalent Li(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cu(2), and one Sb(1) atom to form distorted OLi2Cu2Sb square pyramids that share corners with four equivalent O(2)Li2Cu3Sb octahedra, corners with five equivalent O(1)Li2Cu2Sb square pyramids, edges with four equivalent O(2)Li2Cu3Sb octahedra, and edges with four equivalent O(3)Li2Cu3 square pyramids. The corner-sharing octahedral tilt angles range from 79-82°. In the second O site, O(2) is bonded to one Li(1), one Li(2), one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form distorted OLi2Cu3Sb octahedra that share corners with six equivalent O(2)Li2Cu3Sb octahedra, corners with two equivalent O(1)Li2Cu2Sb square pyramids, corners with two equivalent O(3)Li2Cu3 square pyramids, edges with four equivalent O(2)Li2Cu3Sb octahedra, edges with two equivalent O(1)Li2Cu2Sb square pyramids, and edges with two equivalent O(3)Li2Cu3 square pyramids. The corner-sharing octahedra are not tilted. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(1), and two equivalent Cu(2) atoms to form distorted OLi2Cu3 square pyramids that share corners with four equivalent O(2)Li2Cu3Sb octahedra, corners with five equivalent O(3)Li2Cu3 square pyramids, edges with four equivalent O(2)Li2Cu3Sb octahedra, and edges with four equivalent O(1)Li2Cu2Sb square pyramids. The corner-sharing octahedral tilt angles range from 80-84°. is represented by the CIF file [CIF]
data_Li3Cu4SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   6.203
_cell_length_c   5.836
_cell_angle_alpha   63.451
_cell_angle_beta   63.451
_cell_angle_gamma   56.881
_symmetry_Int_Tables_number   1
_cell_volume   161.960
_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
  Cu  Cu3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.000  0.500  1.0
  Cu  Cu5  1  0.000  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Sb  Sb7  1  0.500  0.500  0.000  1.0
  O  O8  1  0.717  0.717  0.764  1.0
  O  O9  1  0.292  0.752  0.235  1.0
  O  O10  1  0.752  0.292  0.235  1.0
  O  O11  1  0.283  0.283  0.236  1.0
  O  O12  1  0.209  0.209  0.759  1.0
  O  O13  1  0.708  0.248  0.765  1.0
  O  O14  1  0.248  0.708  0.765  1.0
  O  O15  1  0.791  0.791  0.241  1.0
[/CIF]
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