LiBa2HoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. Ho(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form HoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Ho(1), and one Ru(1) atom to form a mixture of distorted edge and corner-sharing OBa4HoRu octahedra. The corner-sharing octahedral tilt angles range from 0-20°.
LiBa2HoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Both Li(1)-Ba(1) bond lengths are 2.60 Å. All Li(1)-O(1) bond lengths are 2.03 Å. Ba(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. All Ba(1)-O(1) bond lengths are 2.85 Å. There are two shorter (2.97 Å) and two longer (3.03 Å) Ba(1)-O(2) bond lengths. Ho(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form HoO6 octahedra that share corners with six equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Ho(1)-O(2) bond lengths are 2.37 Å. All Ho(1)-O(1) bond lengths are 2.18 Å. Ru(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form RuO6 octahedra that share corners with six equivalent Ho(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Both Ru(1)-O(2) bond lengths are 2.08 Å. All Ru(1)-O(1) bond lengths are 2.02 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ba(1), one Ho(1), and one Ru(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Ho(1), and one Ru(1) atom to form a mixture of distorted edge and corner-sharing OBa4HoRu octahedra. The corner-sharing octahedral tilt angles range from 0-20°.