LiBa2HoRuO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ru(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra and faces with four equivalent Ho(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. Ho(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form HoO6 octahedra that share faces with four equivalent Ba(1)O12 cuboctahedra. Ru(1) is bonded in a 7-coordinate geometry to one Li(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom.
LiBa2HoRuO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 3-coordinate geometry to one Ba(2), one Ru(1), one O(3), and two equivalent O(2) atoms. The Li(1)-Ba(2) bond length is 2.56 Å. The Li(1)-Ru(1) bond length is 2.24 Å. The Li(1)-O(3) bond length is 1.85 Å. Both Li(1)-O(2) bond lengths are 1.84 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to two equivalent O(3), two equivalent O(4), four equivalent O(1), and four equivalent O(2) atoms to form BaO12 cuboctahedra that share corners with twelve equivalent Ba(1)O12 cuboctahedra and faces with four equivalent Ho(1)O6 octahedra. Both Ba(1)-O(3) bond lengths are 2.95 Å. Both Ba(1)-O(4) bond lengths are 3.16 Å. There are two shorter (3.16 Å) and two longer (3.17 Å) Ba(1)-O(1) bond lengths. There are two shorter (2.94 Å) and two longer (2.95 Å) Ba(1)-O(2) bond lengths. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. The Ba(2)-O(3) bond length is 2.62 Å. Both Ba(2)-O(2) bond lengths are 2.61 Å. Both Ba(2)-O(4) bond lengths are 3.00 Å. All Ba(2)-O(1) bond lengths are 3.00 Å. Ho(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form HoO6 octahedra that share faces with four equivalent Ba(1)O12 cuboctahedra. The Ho(1)-O(3) bond length is 2.33 Å. The Ho(1)-O(4) bond length is 2.20 Å. Both Ho(1)-O(1) bond lengths are 2.19 Å. Both Ho(1)-O(2) bond lengths are 2.33 Å. Ru(1) is bonded in a 7-coordinate geometry to one Li(1), one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Ru(1)-O(3) bond length is 2.14 Å. The Ru(1)-O(4) bond length is 1.97 Å. Both Ru(1)-O(1) bond lengths are 1.98 Å. Both Ru(1)-O(2) bond lengths are 2.15 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(2), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), one Ho(1), and one Ru(1) atom.