LiRu2O4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the second Ru site, Ru(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ru(2) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Ru(2) atoms to form a mixture of distorted corner and edge-sharing OLi2Ru3 trigonal bipyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ru(1) and two equivalent Ru(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1) and three equivalent Ru(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Ru3 trigonal bipyramids.
LiRu2O4 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(4) atoms. Both Li(1)-O(2) bond lengths are 2.19 Å. Both Li(1)-O(4) bond lengths are 2.14 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(3), two equivalent O(1), and three equivalent O(4) atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Ru(1)-O(3) bond length is 2.04 Å. Both Ru(1)-O(1) bond lengths are 1.98 Å. There is one shorter (2.07 Å) and two longer (2.09 Å) Ru(1)-O(4) bond lengths. In the second Ru site, Ru(2) is bonded to one O(1), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of corner and edge-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. The Ru(2)-O(1) bond length is 1.95 Å. Both Ru(2)-O(3) bond lengths are 2.03 Å. There is one shorter (2.05 Å) and two longer (2.08 Å) Ru(2)-O(2) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ru(2) and two equivalent Ru(1) atoms. In the second O site, O(2) is bonded to two equivalent Li(1) and three equivalent Ru(2) atoms to form a mixture of distorted corner and edge-sharing OLi2Ru3 trigonal bipyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ru(1) and two equivalent Ru(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Li(1) and three equivalent Ru(1) atoms to form a mixture of distorted corner and edge-sharing OLi2Ru3 trigonal bipyramids.