LiCrSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2Si trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one Si(1) atom.
LiCrSi2O6 is Esseneite structured and crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Both Li(1)-O(1) bond lengths are 2.52 Å. Both Li(1)-O(2) bond lengths are 2.07 Å. Both Li(1)-O(3) bond lengths are 2.17 Å. Cr(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. Both Cr(1)-O(3) bond lengths are 1.96 Å. There are two shorter (2.04 Å) and two longer (2.10 Å) Cr(1)-O(2) bond lengths. Si(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-59°. The Si(1)-O(2) bond length is 1.66 Å. The Si(1)-O(3) bond length is 1.61 Å. Both Si(1)-O(1) bond lengths are 1.64 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Li(1) and two equivalent Si(1) atoms. In the second O site, O(2) is bonded to one Li(1), two equivalent Cr(1), and one Si(1) atom to form a mixture of distorted corner and edge-sharing OLiCr2Si trigonal pyramids. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Cr(1), and one Si(1) atom.