The material structure described by LiCrSnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 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. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Sn(1) atom. In the second O site, O(2) is bonded to one Li(1), one Cr(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OLiCrSn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCrSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   6.057
_cell_length_c   6.057
_cell_angle_alpha   61.800
_cell_angle_beta   60.654
_cell_angle_gamma   60.654
_symmetry_Int_Tables_number   1
_cell_volume   157.576
_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
  Cr  Cr0  1  0.000  1.000  0.500  1.0
  Cr  Cr1  1  0.500  1.000  0.500  1.0
  Li  Li2  1  0.873  0.377  0.877  1.0
  Li  Li3  1  0.127  0.623  0.123  1.0
  O  O4  1  0.740  0.792  0.727  1.0
  O  O5  1  0.740  0.227  0.292  1.0
  O  O6  1  0.260  0.773  0.708  1.0
  O  O7  1  0.260  0.208  0.273  1.0
  O  O8  1  0.747  0.237  0.737  1.0
  O  O9  1  0.279  0.237  0.737  1.0
  O  O10  1  0.253  0.763  0.263  1.0
  O  O11  1  0.721  0.763  0.263  1.0
  Sn  Sn12  1  0.500  0.000  0.000  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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The material structure described by LiCrSnO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form LiO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. Sn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form SnO6 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. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Sn(1) atom. In the second O site, O(2) is bonded to one Li(1), one Cr(1), and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OLiCrSn2 trigonal pyramids. is represented by the CIF card [CIF]
data_LiCrSnO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.937
_cell_length_b   6.057
_cell_length_c   6.057
_cell_angle_alpha   61.800
_cell_angle_beta   60.654
_cell_angle_gamma   60.654
_symmetry_Int_Tables_number   1
_cell_volume   157.576
_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
  Cr  Cr0  1  0.000  1.000  0.500  1.0
  Cr  Cr1  1  0.500  1.000  0.500  1.0
  Li  Li2  1  0.873  0.377  0.877  1.0
  Li  Li3  1  0.127  0.623  0.123  1.0
  O  O4  1  0.740  0.792  0.727  1.0
  O  O5  1  0.740  0.227  0.292  1.0
  O  O6  1  0.260  0.773  0.708  1.0
  O  O7  1  0.260  0.208  0.273  1.0
  O  O8  1  0.747  0.237  0.737  1.0
  O  O9  1  0.279  0.237  0.737  1.0
  O  O10  1  0.253  0.763  0.263  1.0
  O  O11  1  0.721  0.763  0.263  1.0
  Sn  Sn12  1  0.500  0.000  0.000  1.0
  Sn  Sn13  1  0.500  0.500  0.500  1.0
[/CIF]
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