The material structure described by LiCrSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. Cr(1) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the third Si site, Si(3) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_LiCrSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.843
_cell_length_b   7.126
_cell_length_c   7.142
_cell_angle_alpha   79.350
_cell_angle_beta   107.318
_cell_angle_gamma   61.155
_symmetry_Int_Tables_number   1
_cell_volume   306.968
_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  0.809  0.825  0.807  1.0
  Li  Li1  1  0.191  0.175  0.193  1.0
  Cr  Cr2  1  0.212  0.738  0.134  1.0
  Cr  Cr3  1  0.788  0.262  0.866  1.0
  Si  Si4  1  0.211  0.548  0.737  1.0
  Si  Si5  1  0.454  0.728  0.619  1.0
  Si  Si6  1  0.177  0.140  0.741  1.0
  Si  Si7  1  0.823  0.860  0.259  1.0
  Si  Si8  1  0.546  0.272  0.381  1.0
  Si  Si9  1  0.789  0.452  0.263  1.0
  O  O10  1  0.117  0.685  0.874  1.0
  O  O11  1  0.370  0.924  0.722  1.0
  O  O12  1  0.036  0.701  0.488  1.0
  O  O13  1  0.306  0.842  0.365  1.0
  O  O14  1  0.111  0.066  0.928  1.0
  O  O15  1  0.443  0.514  0.755  1.0
  O  O16  1  0.273  0.285  0.815  1.0
  O  O17  1  0.716  0.579  0.707  1.0
  O  O18  1  0.284  0.421  0.293  1.0
  O  O19  1  0.727  0.715  0.185  1.0
  O  O20  1  0.557  0.486  0.245  1.0
  O  O21  1  0.889  0.934  0.072  1.0
  O  O22  1  0.694  0.158  0.635  1.0
  O  O23  1  0.964  0.299  0.512  1.0
  O  O24  1  0.630  0.076  0.278  1.0
  O  O25  1  0.883  0.315  0.126  1.0
[/CIF]
.
The material structure described by LiCrSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a distorted rectangular see-saw-like geometry to one O(1), one O(4), one O(5), and one O(8) atom. Cr(1) is bonded to one O(1), one O(4), one O(6), one O(8), and two equivalent O(5) atoms to form CrO6 octahedra that share  a cornercorner with one Si(2)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, corners with two equivalent Si(3)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one Si(2)O4 tetrahedra. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(6), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 36-39°. In the second Si site, Si(2) is bonded to one O(2), one O(4), one O(6), and one O(8) atom to form SiO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Si(1)O4 tetrahedra,  a cornercorner with one Si(3)O4 tetrahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles are 42°. In the third Si site, Si(3) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form SiO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Si(2)O4 tetrahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Si(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a linear geometry to one Si(1) and one Si(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Cr(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one Si(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Si(1), and one Si(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Si(1) and one Si(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cr(1), and one Si(2) atom. is represented by the CIF file [CIF]
data_LiCrSi3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.843
_cell_length_b   7.126
_cell_length_c   7.142
_cell_angle_alpha   79.350
_cell_angle_beta   107.318
_cell_angle_gamma   61.155
_symmetry_Int_Tables_number   1
_cell_volume   306.968
_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  0.809  0.825  0.807  1.0
  Li  Li1  1  0.191  0.175  0.193  1.0
  Cr  Cr2  1  0.212  0.738  0.134  1.0
  Cr  Cr3  1  0.788  0.262  0.866  1.0
  Si  Si4  1  0.211  0.548  0.737  1.0
  Si  Si5  1  0.454  0.728  0.619  1.0
  Si  Si6  1  0.177  0.140  0.741  1.0
  Si  Si7  1  0.823  0.860  0.259  1.0
  Si  Si8  1  0.546  0.272  0.381  1.0
  Si  Si9  1  0.789  0.452  0.263  1.0
  O  O10  1  0.117  0.685  0.874  1.0
  O  O11  1  0.370  0.924  0.722  1.0
  O  O12  1  0.036  0.701  0.488  1.0
  O  O13  1  0.306  0.842  0.365  1.0
  O  O14  1  0.111  0.066  0.928  1.0
  O  O15  1  0.443  0.514  0.755  1.0
  O  O16  1  0.273  0.285  0.815  1.0
  O  O17  1  0.716  0.579  0.707  1.0
  O  O18  1  0.284  0.421  0.293  1.0
  O  O19  1  0.727  0.715  0.185  1.0
  O  O20  1  0.557  0.486  0.245  1.0
  O  O21  1  0.889  0.934  0.072  1.0
  O  O22  1  0.694  0.158  0.635  1.0
  O  O23  1  0.964  0.299  0.512  1.0
  O  O24  1  0.630  0.076  0.278  1.0
  O  O25  1  0.883  0.315  0.126  1.0
[/CIF]
.