The structure described by Li4CuSbO6 crystallizes in the monoclinic C2/c 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(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Li site, Li(2) 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 two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. 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 distorted LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(1), and one Sb(1) atom to form a mixture of corner and edge-sharing OLi4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OLi4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OLi4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-15°. is represented by the CIF card [CIF]
data_Li4CuSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.138
_cell_length_b   5.138
_cell_length_c   9.938
_cell_angle_alpha   87.520
_cell_angle_beta   87.520
_cell_angle_gamma   115.237
_symmetry_Int_Tables_number   1
_cell_volume   236.569
_cell_formula_units_Z   2
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  0.658  0.805  0.503  1.0
  Li  Li1  1  0.342  0.195  0.497  1.0
  Li  Li2  1  0.195  0.342  0.997  1.0
  Li  Li3  1  0.805  0.658  0.003  1.0
  Li  Li4  1  0.582  0.418  0.750  1.0
  Li  Li5  1  0.418  0.582  0.250  1.0
  Li  Li6  1  0.500  0.000  0.000  1.0
  Li  Li7  1  0.000  0.500  0.500  1.0
  Cu  Cu8  1  0.913  0.087  0.750  1.0
  Cu  Cu9  1  0.087  0.913  0.250  1.0
  Sb  Sb10  1  0.254  0.746  0.750  1.0
  Sb  Sb11  1  0.746  0.254  0.250  1.0
  O  O12  1  0.504  0.700  0.884  1.0
  O  O13  1  0.496  0.300  0.116  1.0
  O  O14  1  0.300  0.496  0.616  1.0
  O  O15  1  0.700  0.504  0.384  1.0
  O  O16  1  0.604  0.087  0.650  1.0
  O  O17  1  0.396  0.913  0.350  1.0
  O  O18  1  0.913  0.396  0.850  1.0
  O  O19  1  0.087  0.604  0.150  1.0
  O  O20  1  0.825  0.972  0.137  1.0
  O  O21  1  0.175  0.028  0.863  1.0
  O  O22  1  0.028  0.175  0.363  1.0
  O  O23  1  0.972  0.825  0.637  1.0
[/CIF]
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The structure described by Li4CuSbO6 crystallizes in the monoclinic C2/c 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(2), and two equivalent O(3) atoms to form LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Li(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-16°. In the second Li site, Li(2) 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 two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. 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 distorted LiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CuO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Sb(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. Sb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SbO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, edges with three equivalent Cu(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-14°. There are three inequivalent O sites. In the first O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(1), and one Sb(1) atom to form a mixture of corner and edge-sharing OLi4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-15°. In the second O site, O(1) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OLi4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Cu(1), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing OLi4CuSb octahedra. The corner-sharing octahedral tilt angles range from 0-15°. is represented by the CIF card [CIF]
data_Li4CuSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.138
_cell_length_b   5.138
_cell_length_c   9.938
_cell_angle_alpha   87.520
_cell_angle_beta   87.520
_cell_angle_gamma   115.237
_symmetry_Int_Tables_number   1
_cell_volume   236.569
_cell_formula_units_Z   2
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  0.658  0.805  0.503  1.0
  Li  Li1  1  0.342  0.195  0.497  1.0
  Li  Li2  1  0.195  0.342  0.997  1.0
  Li  Li3  1  0.805  0.658  0.003  1.0
  Li  Li4  1  0.582  0.418  0.750  1.0
  Li  Li5  1  0.418  0.582  0.250  1.0
  Li  Li6  1  0.500  0.000  0.000  1.0
  Li  Li7  1  0.000  0.500  0.500  1.0
  Cu  Cu8  1  0.913  0.087  0.750  1.0
  Cu  Cu9  1  0.087  0.913  0.250  1.0
  Sb  Sb10  1  0.254  0.746  0.750  1.0
  Sb  Sb11  1  0.746  0.254  0.250  1.0
  O  O12  1  0.504  0.700  0.884  1.0
  O  O13  1  0.496  0.300  0.116  1.0
  O  O14  1  0.300  0.496  0.616  1.0
  O  O15  1  0.700  0.504  0.384  1.0
  O  O16  1  0.604  0.087  0.650  1.0
  O  O17  1  0.396  0.913  0.350  1.0
  O  O18  1  0.913  0.396  0.850  1.0
  O  O19  1  0.087  0.604  0.150  1.0
  O  O20  1  0.825  0.972  0.137  1.0
  O  O21  1  0.175  0.028  0.863  1.0
  O  O22  1  0.028  0.175  0.363  1.0
  O  O23  1  0.972  0.825  0.637  1.0
[/CIF]
.