The compound described by Li2Co3BiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Bi(1) is bonded to six equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Co(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 one Li(1), two equivalent Co(1), and one Bi(1) atom. In the second O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted corner-sharing OLiCo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.081
_cell_length_c   6.081
_cell_angle_alpha   56.915
_cell_angle_beta   56.915
_cell_angle_gamma   56.915
_symmetry_Int_Tables_number   1
_cell_volume   147.723
_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  0.119  0.119  0.119  1.0
  Li  Li1  1  0.881  0.881  0.881  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.246  0.714  0.246  1.0
  O  O7  1  0.714  0.246  0.246  1.0
  O  O8  1  0.733  0.733  0.733  1.0
  O  O9  1  0.246  0.246  0.714  1.0
  O  O10  1  0.754  0.754  0.286  1.0
  O  O11  1  0.267  0.267  0.267  1.0
  O  O12  1  0.286  0.754  0.754  1.0
  O  O13  1  0.754  0.286  0.754  1.0
[/CIF]
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The compound described by Li2Co3BiO8 is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent Bi(1)O6 octahedra and corners with nine equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-67°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Bi(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. Bi(1) is bonded to six equivalent O(1) atoms to form distorted BiO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra and edges with six equivalent Co(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 one Li(1), two equivalent Co(1), and one Bi(1) atom. In the second O site, O(2) is bonded to one Li(1) and three equivalent Co(1) atoms to form distorted corner-sharing OLiCo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co3BiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.081
_cell_length_b   6.081
_cell_length_c   6.081
_cell_angle_alpha   56.915
_cell_angle_beta   56.915
_cell_angle_gamma   56.915
_symmetry_Int_Tables_number   1
_cell_volume   147.723
_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  0.119  0.119  0.119  1.0
  Li  Li1  1  0.881  0.881  0.881  1.0
  Co  Co2  1  0.000  0.500  0.500  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  Co  Co4  1  0.500  0.500  0.000  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  O  O6  1  0.246  0.714  0.246  1.0
  O  O7  1  0.714  0.246  0.246  1.0
  O  O8  1  0.733  0.733  0.733  1.0
  O  O9  1  0.246  0.246  0.714  1.0
  O  O10  1  0.754  0.754  0.286  1.0
  O  O11  1  0.267  0.267  0.267  1.0
  O  O12  1  0.286  0.754  0.754  1.0
  O  O13  1  0.754  0.286  0.754  1.0
[/CIF]
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