LiCrSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 1-coordinate geometry to one Cr(1), one O(3), one O(4), one O(7), and one O(8) atom. Cr(1) is bonded in a 9-coordinate geometry to one Li(1), one Si(3), one O(1), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to one O(1), one O(6), and one O(7) atom. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one O(2), one O(6), and one O(8) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one Cr(1), one O(2), one O(5), and one O(7) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one O(8) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to 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 3-coordinate geometry to one Li(1), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Cr(1), one Si(2), and one O(3) atom.
LiCrSi3O8 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 1-coordinate geometry to one Cr(1), one O(3), one O(4), one O(7), and one O(8) atom. The Li(1)-Cr(1) bond length is 3.09 Å. The Li(1)-O(3) bond length is 1.95 Å. The Li(1)-O(4) bond length is 2.40 Å. The Li(1)-O(7) bond length is 2.48 Å. The Li(1)-O(8) bond length is 2.54 Å. Cr(1) is bonded in a 9-coordinate geometry to one Li(1), one Si(3), one O(1), one O(3), one O(4), one O(6), one O(8), and two equivalent O(5) atoms. The Cr(1)-Si(3) bond length is 2.64 Å. The Cr(1)-O(1) bond length is 2.59 Å. The Cr(1)-O(3) bond length is 2.20 Å. The Cr(1)-O(4) bond length is 2.61 Å. The Cr(1)-O(6) bond length is 2.40 Å. The Cr(1)-O(8) bond length is 2.21 Å. There is one shorter (2.47 Å) and one longer (2.64 Å) Cr(1)-O(5) bond length. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 1-coordinate geometry to one O(1), one O(6), and one O(7) atom. The Si(1)-O(1) bond length is 1.07 Å. The Si(1)-O(6) bond length is 2.02 Å. The Si(1)-O(7) bond length is 1.71 Å. In the second Si site, Si(2) is bonded in a distorted bent 120 degrees geometry to one O(2), one O(6), and one O(8) atom. The Si(2)-O(2) bond length is 1.28 Å. The Si(2)-O(6) bond length is 1.67 Å. The Si(2)-O(8) bond length is 2.38 Å. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one Cr(1), one O(2), one O(5), and one O(7) atom. The Si(3)-O(2) bond length is 1.42 Å. The Si(3)-O(5) bond length is 1.29 Å. The Si(3)-O(7) bond length is 1.96 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Cr(1) and one Si(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Si(2) and one Si(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Cr(1), and one O(8) atom. The O(3)-O(8) bond length is 1.85 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Li(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to 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 3-coordinate geometry to one Li(1), one Si(1), and one Si(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Cr(1), one Si(2), and one O(3) atom.