The structure described by LiCrSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. Cr(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are four 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 distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiCrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.735
_cell_length_b   6.150
_cell_length_c   10.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.212
_cell_formula_units_Z   4
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  0.018  0.005  0.215  1.0
  Li  Li1  1  0.482  0.005  0.715  1.0
  Li  Li2  1  0.518  0.505  0.285  1.0
  Li  Li3  1  0.982  0.505  0.785  1.0
  Cr  Cr4  1  0.000  0.257  0.500  1.0
  Cr  Cr5  1  0.500  0.257  0.000  1.0
  Cr  Cr6  1  0.500  0.757  1.000  1.0
  Cr  Cr7  1  1.000  0.757  0.500  1.0
  Si  Si8  1  0.081  0.507  0.090  1.0
  Si  Si9  1  0.419  0.507  0.590  1.0
  Si  Si10  1  0.581  0.007  0.409  1.0
  Si  Si11  1  0.919  0.007  0.909  1.0
  O  O12  1  0.250  0.506  0.943  1.0
  O  O13  1  0.222  0.285  0.150  1.0
  O  O14  1  0.221  0.729  0.150  1.0
  O  O15  1  0.234  0.007  0.419  1.0
  O  O16  1  0.266  0.007  0.919  1.0
  O  O17  1  0.279  0.729  0.650  1.0
  O  O18  1  0.278  0.285  0.650  1.0
  O  O19  1  0.250  0.506  0.443  1.0
  O  O20  1  0.750  0.006  0.557  1.0
  O  O21  1  0.722  0.785  0.350  1.0
  O  O22  1  0.721  0.229  0.350  1.0
  O  O23  1  0.734  0.507  0.081  1.0
  O  O24  1  0.766  0.507  0.581  1.0
  O  O25  1  0.779  0.229  0.850  1.0
  O  O26  1  0.778  0.785  0.850  1.0
  O  O27  1  0.750  0.006  0.057  1.0
[/CIF]
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The structure described by LiCrSiO4 is Hausmannite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form distorted LiO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Si(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and  an edgeedge with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. Cr(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Li(1)O6 octahedra, corners with two equivalent Si(1)O4 tetrahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-62°. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are four 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 distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Cr(1), and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Si(1) atom. is represented by the CIF card [CIF]
data_LiCrSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.735
_cell_length_b   6.150
_cell_length_c   10.276
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   299.212
_cell_formula_units_Z   4
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  0.018  0.005  0.215  1.0
  Li  Li1  1  0.482  0.005  0.715  1.0
  Li  Li2  1  0.518  0.505  0.285  1.0
  Li  Li3  1  0.982  0.505  0.785  1.0
  Cr  Cr4  1  0.000  0.257  0.500  1.0
  Cr  Cr5  1  0.500  0.257  0.000  1.0
  Cr  Cr6  1  0.500  0.757  1.000  1.0
  Cr  Cr7  1  1.000  0.757  0.500  1.0
  Si  Si8  1  0.081  0.507  0.090  1.0
  Si  Si9  1  0.419  0.507  0.590  1.0
  Si  Si10  1  0.581  0.007  0.409  1.0
  Si  Si11  1  0.919  0.007  0.909  1.0
  O  O12  1  0.250  0.506  0.943  1.0
  O  O13  1  0.222  0.285  0.150  1.0
  O  O14  1  0.221  0.729  0.150  1.0
  O  O15  1  0.234  0.007  0.419  1.0
  O  O16  1  0.266  0.007  0.919  1.0
  O  O17  1  0.279  0.729  0.650  1.0
  O  O18  1  0.278  0.285  0.650  1.0
  O  O19  1  0.250  0.506  0.443  1.0
  O  O20  1  0.750  0.006  0.557  1.0
  O  O21  1  0.722  0.785  0.350  1.0
  O  O22  1  0.721  0.229  0.350  1.0
  O  O23  1  0.734  0.507  0.081  1.0
  O  O24  1  0.766  0.507  0.581  1.0
  O  O25  1  0.779  0.229  0.850  1.0
  O  O26  1  0.778  0.785  0.850  1.0
  O  O27  1  0.750  0.006  0.057  1.0
[/CIF]
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