The material described by LiCuSbO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cu(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CuO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cu(1), and one Sb(1) atom to form a mixture of corner and edge-sharing OLiCu2Sb tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_LiCuSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   6.231
_cell_length_c   6.231
_cell_angle_alpha   123.921
_cell_angle_beta   121.353
_cell_angle_gamma   85.506
_symmetry_Int_Tables_number   1
_cell_volume   163.617
_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  0.900  0.150  0.750  1.0
  Li  Li1  1  0.100  0.850  0.250  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Sb  Sb4  1  0.000  0.500  0.500  1.0
  Sb  Sb5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.752  0.282  0.470  1.0
  O  O7  1  0.764  0.285  0.021  1.0
  O  O8  1  0.764  0.744  0.479  1.0
  O  O9  1  0.311  0.282  0.030  1.0
  O  O10  1  0.689  0.718  0.970  1.0
  O  O11  1  0.236  0.715  0.979  1.0
  O  O12  1  0.236  0.256  0.521  1.0
  O  O13  1  0.248  0.718  0.530  1.0
[/CIF]
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The material described by LiCuSbO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cu(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. Cu(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CuO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cu(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Sb(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SbO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Cu(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Cu(1), and one Sb(1) atom to form a mixture of corner and edge-sharing OLiCu2Sb tetrahedra. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cu(1), and two equivalent Sb(1) atoms. is represented by the CIF file [CIF]
data_LiCuSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.231
_cell_length_b   6.231
_cell_length_c   6.231
_cell_angle_alpha   123.921
_cell_angle_beta   121.353
_cell_angle_gamma   85.506
_symmetry_Int_Tables_number   1
_cell_volume   163.617
_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  0.900  0.150  0.750  1.0
  Li  Li1  1  0.100  0.850  0.250  1.0
  Cu  Cu2  1  0.500  0.000  0.000  1.0
  Cu  Cu3  1  0.500  0.500  0.500  1.0
  Sb  Sb4  1  0.000  0.500  0.500  1.0
  Sb  Sb5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.752  0.282  0.470  1.0
  O  O7  1  0.764  0.285  0.021  1.0
  O  O8  1  0.764  0.744  0.479  1.0
  O  O9  1  0.311  0.282  0.030  1.0
  O  O10  1  0.689  0.718  0.970  1.0
  O  O11  1  0.236  0.715  0.979  1.0
  O  O12  1  0.236  0.256  0.521  1.0
  O  O13  1  0.248  0.718  0.530  1.0
[/CIF]
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