The compound described by Li4Cu3SbO8 is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. 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 Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Sb(1) is bonded to six equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2) and three equivalent Cu(1) atoms to form OLi3Cu3 octahedra that share corners with six equivalent O(1)Li3Cu3 octahedra and edges with twelve equivalent O(2)Li3Cu2Sb octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Cu(1), and one Sb(1) atom to form OLi3Cu2Sb octahedra that share corners with six equivalent O(2)Li3Cu2Sb octahedra, edges with four equivalent O(1)Li3Cu3 octahedra, and edges with eight equivalent O(2)Li3Cu2Sb octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Cu3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   5.979
_cell_length_c   5.979
_cell_angle_alpha   60.565
_cell_angle_beta   60.565
_cell_angle_gamma   60.565
_symmetry_Int_Tables_number   1
_cell_volume   153.086
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.733  0.733  0.733  1.0
  O  O9  1  0.769  0.237  0.237  1.0
  O  O10  1  0.237  0.237  0.769  1.0
  O  O11  1  0.267  0.267  0.267  1.0
  O  O12  1  0.237  0.769  0.237  1.0
  O  O13  1  0.231  0.763  0.763  1.0
  O  O14  1  0.763  0.763  0.231  1.0
  O  O15  1  0.763  0.231  0.763  1.0
[/CIF]
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The compound described by Li4Cu3SbO8 is Caswellsilverite-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Sb(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. 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 Cu(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Cu(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CuO6 octahedra that share corners with six equivalent Li(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. Sb(1) is bonded to six equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(2)O6 octahedra, and edges with six equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(2) and three equivalent Cu(1) atoms to form OLi3Cu3 octahedra that share corners with six equivalent O(1)Li3Cu3 octahedra and edges with twelve equivalent O(2)Li3Cu2Sb octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), two equivalent Cu(1), and one Sb(1) atom to form OLi3Cu2Sb octahedra that share corners with six equivalent O(2)Li3Cu2Sb octahedra, edges with four equivalent O(1)Li3Cu3 octahedra, and edges with eight equivalent O(2)Li3Cu2Sb octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_Li4Cu3SbO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.979
_cell_length_b   5.979
_cell_length_c   5.979
_cell_angle_alpha   60.565
_cell_angle_beta   60.565
_cell_angle_gamma   60.565
_symmetry_Int_Tables_number   1
_cell_volume   153.086
_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  0.500  0.500  0.500  1.0
  Li  Li1  1  0.500  0.000  0.000  1.0
  Li  Li2  1  0.000  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.000  1.0
  Cu  Cu4  1  0.000  0.500  0.500  1.0
  Cu  Cu5  1  0.500  0.500  0.000  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.733  0.733  0.733  1.0
  O  O9  1  0.769  0.237  0.237  1.0
  O  O10  1  0.237  0.237  0.769  1.0
  O  O11  1  0.267  0.267  0.267  1.0
  O  O12  1  0.237  0.769  0.237  1.0
  O  O13  1  0.231  0.763  0.763  1.0
  O  O14  1  0.763  0.763  0.231  1.0
  O  O15  1  0.763  0.231  0.763  1.0
[/CIF]
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