The crystal structure described by LiCrSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. 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 Si(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. 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 Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.674
_cell_length_c   5.674
_cell_angle_alpha   62.011
_cell_angle_beta   60.553
_cell_angle_gamma   60.553
_symmetry_Int_Tables_number   1
_cell_volume   129.912
_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  1.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.500  1.000  1.0
  Li  Li3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.737  0.758  0.258  1.0
  O  O5  1  0.752  0.242  0.742  1.0
  O  O6  1  0.248  0.758  0.258  1.0
  O  O7  1  0.263  0.242  0.742  1.0
  O  O8  1  0.749  0.766  0.736  1.0
  O  O9  1  0.749  0.236  0.266  1.0
  O  O10  1  0.251  0.234  0.264  1.0
  O  O11  1  0.251  0.764  0.734  1.0
  Si  Si12  1  0.635  0.115  0.615  1.0
  Si  Si13  1  0.365  0.885  0.385  1.0
[/CIF]
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The crystal structure described by LiCrSiO4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. 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 Si(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent Li(1)O6 octahedra and corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. 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 Si(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiCrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.579
_cell_length_b   5.674
_cell_length_c   5.674
_cell_angle_alpha   62.011
_cell_angle_beta   60.553
_cell_angle_gamma   60.553
_symmetry_Int_Tables_number   1
_cell_volume   129.912
_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  1.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  Li  Li2  1  0.000  0.500  1.000  1.0
  Li  Li3  1  0.500  0.500  1.000  1.0
  O  O4  1  0.737  0.758  0.258  1.0
  O  O5  1  0.752  0.242  0.742  1.0
  O  O6  1  0.248  0.758  0.258  1.0
  O  O7  1  0.263  0.242  0.742  1.0
  O  O8  1  0.749  0.766  0.736  1.0
  O  O9  1  0.749  0.236  0.266  1.0
  O  O10  1  0.251  0.234  0.264  1.0
  O  O11  1  0.251  0.764  0.734  1.0
  Si  Si12  1  0.635  0.115  0.615  1.0
  Si  Si13  1  0.365  0.885  0.385  1.0
[/CIF]
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