The crystal structure described by Li2Cr3SnO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Sn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2Sn trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Cr(1), one Cr(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2Sn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   5.949
_cell_length_c   6.116
_cell_angle_alpha   61.073
_cell_angle_beta   61.068
_cell_angle_gamma   60.708
_symmetry_Int_Tables_number   1
_cell_volume   156.315
_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
  Cr  Cr0  1  0.000  0.500  1.000  1.0
  Cr  Cr1  1  0.500  0.500  0.000  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.123  0.123  0.638  1.0
  Li  Li4  1  0.877  0.877  0.362  1.0
  O  O5  1  0.274  0.274  0.201  1.0
  O  O6  1  0.726  0.726  0.799  1.0
  O  O7  1  0.258  0.258  0.769  1.0
  O  O8  1  0.716  0.262  0.773  1.0
  O  O9  1  0.262  0.716  0.773  1.0
  O  O10  1  0.738  0.284  0.227  1.0
  O  O11  1  0.284  0.738  0.227  1.0
  O  O12  1  0.742  0.742  0.231  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Li2Cr3SnO8 is Spinel-derived structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form LiO4 tetrahedra that share corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Sn(1)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Sn(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. Sn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(2), and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2Sn trigonal pyramids. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Cr(1), one Cr(2), and one Sn(1) atom. In the fourth O site, O(4) is bonded to one Li(1), one Cr(1), one Cr(2), and one Sn(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2Sn trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2Cr3SnO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.949
_cell_length_b   5.949
_cell_length_c   6.116
_cell_angle_alpha   61.073
_cell_angle_beta   61.068
_cell_angle_gamma   60.708
_symmetry_Int_Tables_number   1
_cell_volume   156.315
_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
  Cr  Cr0  1  0.000  0.500  1.000  1.0
  Cr  Cr1  1  0.500  0.500  0.000  1.0
  Cr  Cr2  1  0.500  0.000  0.000  1.0
  Li  Li3  1  0.123  0.123  0.638  1.0
  Li  Li4  1  0.877  0.877  0.362  1.0
  O  O5  1  0.274  0.274  0.201  1.0
  O  O6  1  0.726  0.726  0.799  1.0
  O  O7  1  0.258  0.258  0.769  1.0
  O  O8  1  0.716  0.262  0.773  1.0
  O  O9  1  0.262  0.716  0.773  1.0
  O  O10  1  0.738  0.284  0.227  1.0
  O  O11  1  0.284  0.738  0.227  1.0
  O  O12  1  0.742  0.742  0.231  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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