LiSm2Cr2O8 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sm(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sm(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sm(1), and one Cr(1) atom.
LiSm2Cr2O8 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. Both Li(1)-O(1) bond lengths are 2.58 Å. Both Li(1)-O(2) bond lengths are 1.95 Å. Both Li(1)-O(4) bond lengths are 2.12 Å. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There is one shorter (2.39 Å) and one longer (2.47 Å) Sm(1)-O(1) bond length. There is one shorter (2.45 Å) and one longer (2.48 Å) Sm(1)-O(2) bond length. There is one shorter (2.34 Å) and one longer (2.46 Å) Sm(1)-O(3) bond length. There is one shorter (2.44 Å) and one longer (2.60 Å) Sm(1)-O(4) bond length. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Cr(1)-O(1) bond length is 1.77 Å. The Cr(1)-O(2) bond length is 1.79 Å. The Cr(1)-O(3) bond length is 1.75 Å. The Cr(1)-O(4) bond length is 1.76 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sm(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sm(1), and one Cr(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sm(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Sm(1), and one Cr(1) atom.