The crystal structure described by Li2Cr2SiO6 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, and edges with five equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Si(1)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-18°. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2Cr2Si square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2Cr2Si square pyramids. is represented by the CIF file [CIF]
data_Li2Cr2SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.429
_cell_length_b   8.946
_cell_length_c   5.114
_cell_angle_alpha   79.113
_cell_angle_beta   68.705
_cell_angle_gamma   32.181
_symmetry_Int_Tables_number   1
_cell_volume   207.878
_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  0.590  0.590  0.910  1.0
  Li  Li1  1  0.910  0.910  0.590  1.0
  Li  Li2  1  0.660  0.660  0.340  1.0
  Li  Li3  1  0.340  0.340  0.660  1.0
  Cr  Cr4  1  0.421  0.421  0.079  1.0
  Cr  Cr5  1  0.079  0.079  0.421  1.0
  Cr  Cr6  1  0.171  0.171  0.829  1.0
  Cr  Cr7  1  0.829  0.829  0.171  1.0
  Si  Si8  1  0.250  0.250  0.250  1.0
  Si  Si9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.872  0.286  0.145  1.0
  O  O11  1  0.145  0.697  0.872  1.0
  O  O12  1  0.038  0.462  0.038  1.0
  O  O13  1  0.105  0.553  0.378  1.0
  O  O14  1  0.553  0.105  0.964  1.0
  O  O15  1  0.212  0.788  0.212  1.0
  O  O16  1  0.964  0.378  0.553  1.0
  O  O17  1  0.788  0.212  0.788  1.0
  O  O18  1  0.378  0.964  0.105  1.0
  O  O19  1  0.697  0.145  0.286  1.0
  O  O20  1  0.462  0.038  0.462  1.0
  O  O21  1  0.286  0.872  0.697  1.0
[/CIF]
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The crystal structure described by Li2Cr2SiO6 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Si(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Si(1)O6 octahedra, and edges with five equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, edges with three equivalent Si(1)O6 octahedra, and edges with five equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-18°. Si(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2Cr2Si square pyramids. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Cr(1), and one Si(1) atom to form a mixture of corner and edge-sharing OLi2Cr2Si square pyramids. is represented by the CIF file [CIF]
data_Li2Cr2SiO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.429
_cell_length_b   8.946
_cell_length_c   5.114
_cell_angle_alpha   79.113
_cell_angle_beta   68.705
_cell_angle_gamma   32.181
_symmetry_Int_Tables_number   1
_cell_volume   207.878
_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  0.590  0.590  0.910  1.0
  Li  Li1  1  0.910  0.910  0.590  1.0
  Li  Li2  1  0.660  0.660  0.340  1.0
  Li  Li3  1  0.340  0.340  0.660  1.0
  Cr  Cr4  1  0.421  0.421  0.079  1.0
  Cr  Cr5  1  0.079  0.079  0.421  1.0
  Cr  Cr6  1  0.171  0.171  0.829  1.0
  Cr  Cr7  1  0.829  0.829  0.171  1.0
  Si  Si8  1  0.250  0.250  0.250  1.0
  Si  Si9  1  0.000  0.000  0.000  1.0
  O  O10  1  0.872  0.286  0.145  1.0
  O  O11  1  0.145  0.697  0.872  1.0
  O  O12  1  0.038  0.462  0.038  1.0
  O  O13  1  0.105  0.553  0.378  1.0
  O  O14  1  0.553  0.105  0.964  1.0
  O  O15  1  0.212  0.788  0.212  1.0
  O  O16  1  0.964  0.378  0.553  1.0
  O  O17  1  0.788  0.212  0.788  1.0
  O  O18  1  0.378  0.964  0.105  1.0
  O  O19  1  0.697  0.145  0.286  1.0
  O  O20  1  0.462  0.038  0.462  1.0
  O  O21  1  0.286  0.872  0.697  1.0
[/CIF]
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