The crystal structure described by LiCoSbO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. 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 Co(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(1), one Co(1), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OLiCoSb2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCoSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   6.138
_cell_length_c   8.588
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.458
_cell_formula_units_Z   4
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  0.209  0.000  1.0
  Li  Li1  1  0.000  0.791  0.500  1.0
  Li  Li2  1  0.209  0.000  0.250  1.0
  Li  Li3  1  0.791  0.000  0.750  1.0
  Co  Co4  1  0.748  0.252  0.375  1.0
  Co  Co5  1  0.748  0.748  0.125  1.0
  Co  Co6  1  0.252  0.252  0.625  1.0
  Co  Co7  1  0.252  0.748  0.875  1.0
  Sb  Sb8  1  0.227  0.500  0.250  1.0
  Sb  Sb9  1  0.500  0.227  1.000  1.0
  Sb  Sb10  1  0.500  0.773  0.500  1.0
  Sb  Sb11  1  0.773  0.500  0.750  1.0
  O  O12  1  0.017  0.262  0.252  1.0
  O  O13  1  0.017  0.738  0.248  1.0
  O  O14  1  0.262  0.017  0.998  1.0
  O  O15  1  0.262  0.983  0.502  1.0
  O  O16  1  0.738  0.017  0.002  1.0
  O  O17  1  0.738  0.983  0.498  1.0
  O  O18  1  0.983  0.262  0.748  1.0
  O  O19  1  0.983  0.738  0.752  1.0
  O  O20  1  0.268  0.477  0.014  1.0
  O  O21  1  0.268  0.523  0.486  1.0
  O  O22  1  0.477  0.268  0.236  1.0
  O  O23  1  0.477  0.732  0.264  1.0
  O  O24  1  0.523  0.268  0.764  1.0
  O  O25  1  0.523  0.732  0.736  1.0
  O  O26  1  0.732  0.523  0.514  1.0
  O  O27  1  0.732  0.477  0.986  1.0
[/CIF]
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The crystal structure described by LiCoSbO4 is Spinel-derived structured and crystallizes in the tetragonal P4_322 space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted LiO6 octahedra that share corners with six equivalent Co(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Sb(1)O6 octahedra. Co(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form CoO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-62°. 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 Co(1)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Co(1), and one Sb(1) atom. In the second O site, O(2) is bonded to one Li(1), one Co(1), and two equivalent Sb(1) atoms to form a mixture of distorted corner and edge-sharing OLiCoSb2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCoSbO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.136
_cell_length_b   6.138
_cell_length_c   8.588
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.458
_cell_formula_units_Z   4
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  0.209  0.000  1.0
  Li  Li1  1  0.000  0.791  0.500  1.0
  Li  Li2  1  0.209  0.000  0.250  1.0
  Li  Li3  1  0.791  0.000  0.750  1.0
  Co  Co4  1  0.748  0.252  0.375  1.0
  Co  Co5  1  0.748  0.748  0.125  1.0
  Co  Co6  1  0.252  0.252  0.625  1.0
  Co  Co7  1  0.252  0.748  0.875  1.0
  Sb  Sb8  1  0.227  0.500  0.250  1.0
  Sb  Sb9  1  0.500  0.227  1.000  1.0
  Sb  Sb10  1  0.500  0.773  0.500  1.0
  Sb  Sb11  1  0.773  0.500  0.750  1.0
  O  O12  1  0.017  0.262  0.252  1.0
  O  O13  1  0.017  0.738  0.248  1.0
  O  O14  1  0.262  0.017  0.998  1.0
  O  O15  1  0.262  0.983  0.502  1.0
  O  O16  1  0.738  0.017  0.002  1.0
  O  O17  1  0.738  0.983  0.498  1.0
  O  O18  1  0.983  0.262  0.748  1.0
  O  O19  1  0.983  0.738  0.752  1.0
  O  O20  1  0.268  0.477  0.014  1.0
  O  O21  1  0.268  0.523  0.486  1.0
  O  O22  1  0.477  0.268  0.236  1.0
  O  O23  1  0.477  0.732  0.264  1.0
  O  O24  1  0.523  0.268  0.764  1.0
  O  O25  1  0.523  0.732  0.736  1.0
  O  O26  1  0.732  0.523  0.514  1.0
  O  O27  1  0.732  0.477  0.986  1.0
[/CIF]
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