The compound described by Li2Co2SiO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Si(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 24-74°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Si(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Co(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2Co2Si square pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Co(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co2SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.971
_cell_length_b   4.971
_cell_length_c   9.969
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.611
_symmetry_Int_Tables_number   1
_cell_volume   216.238
_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  0.622  0.122  0.750  1.0
  Li  Li1  1  0.878  0.378  0.250  1.0
  Li  Li2  1  0.122  0.622  0.750  1.0
  Li  Li3  1  0.378  0.878  0.250  1.0
  Co  Co4  1  0.336  0.664  0.000  1.0
  Co  Co5  1  0.836  0.164  0.500  1.0
  Co  Co6  1  0.664  0.336  0.000  1.0
  Co  Co7  1  0.164  0.836  0.500  1.0
  Si  Si8  1  0.500  0.500  0.500  1.0
  Si  Si9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.205  0.519  0.394  1.0
  O  O11  1  0.981  0.295  0.894  1.0
  O  O12  1  0.481  0.795  0.606  1.0
  O  O13  1  0.705  0.019  0.106  1.0
  O  O14  1  0.019  0.705  0.106  1.0
  O  O15  1  0.795  0.481  0.606  1.0
  O  O16  1  0.295  0.981  0.894  1.0
  O  O17  1  0.519  0.205  0.394  1.0
  O  O18  1  0.301  0.301  0.092  1.0
  O  O19  1  0.199  0.199  0.592  1.0
  O  O20  1  0.699  0.699  0.908  1.0
  O  O21  1  0.801  0.801  0.408  1.0
[/CIF]
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The compound described by Li2Co2SiO6 crystallizes in the orthorhombic Cmce space group. Li(1) is bonded to four equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent Co(1)O6 octahedra, corners with four equivalent Si(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 24-74°. Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted CoO6 octahedra that share corners with four equivalent Li(1)O4 trigonal pyramids, edges with three equivalent Co(1)O6 octahedra, edges with three equivalent Si(1)O6 octahedra, and edges with two equivalent Li(1)O4 trigonal pyramids. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with eight equivalent Li(1)O4 trigonal pyramids and edges with six equivalent Co(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Co(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLi2Co2Si square pyramids. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Co(1) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Co2SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.971
_cell_length_b   4.971
_cell_length_c   9.969
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   118.611
_symmetry_Int_Tables_number   1
_cell_volume   216.238
_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  0.622  0.122  0.750  1.0
  Li  Li1  1  0.878  0.378  0.250  1.0
  Li  Li2  1  0.122  0.622  0.750  1.0
  Li  Li3  1  0.378  0.878  0.250  1.0
  Co  Co4  1  0.336  0.664  0.000  1.0
  Co  Co5  1  0.836  0.164  0.500  1.0
  Co  Co6  1  0.664  0.336  0.000  1.0
  Co  Co7  1  0.164  0.836  0.500  1.0
  Si  Si8  1  0.500  0.500  0.500  1.0
  Si  Si9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.205  0.519  0.394  1.0
  O  O11  1  0.981  0.295  0.894  1.0
  O  O12  1  0.481  0.795  0.606  1.0
  O  O13  1  0.705  0.019  0.106  1.0
  O  O14  1  0.019  0.705  0.106  1.0
  O  O15  1  0.795  0.481  0.606  1.0
  O  O16  1  0.295  0.981  0.894  1.0
  O  O17  1  0.519  0.205  0.394  1.0
  O  O18  1  0.301  0.301  0.092  1.0
  O  O19  1  0.199  0.199  0.592  1.0
  O  O20  1  0.699  0.699  0.908  1.0
  O  O21  1  0.801  0.801  0.408  1.0
[/CIF]
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