CaHoV2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ho(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ho(1), one V(1), and one V(2) atom.
CaHoV2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(1) bond length is 2.42 Å. The Ca(1)-O(4) bond length is 2.36 Å. The Ca(1)-O(5) bond length is 2.35 Å. The Ca(1)-O(6) bond length is 2.33 Å. There is one shorter (2.59 Å) and one longer (2.72 Å) Ca(1)-O(2) bond length. There is one shorter (2.59 Å) and one longer (2.66 Å) Ca(1)-O(3) bond length. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms. The Ho(1)-O(1) bond length is 2.26 Å. The Ho(1)-O(2) bond length is 2.27 Å. The Ho(1)-O(3) bond length is 2.29 Å. The Ho(1)-O(6) bond length is 2.31 Å. There is one shorter (2.45 Å) and one longer (2.70 Å) Ho(1)-O(4) bond length. There is one shorter (2.45 Å) and one longer (2.75 Å) Ho(1)-O(5) bond length. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. The V(1)-O(1) bond length is 1.92 Å. The V(1)-O(2) bond length is 2.01 Å. The V(1)-O(3) bond length is 1.99 Å. The V(1)-O(4) bond length is 2.01 Å. The V(1)-O(5) bond length is 2.01 Å. The V(1)-O(6) bond length is 1.89 Å. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form corner-sharing VO6 octahedra. The corner-sharing octahedral tilt angles range from 29-36°. The V(2)-O(1) bond length is 2.09 Å. The V(2)-O(2) bond length is 2.02 Å. The V(2)-O(3) bond length is 2.02 Å. The V(2)-O(4) bond length is 2.02 Å. The V(2)-O(5) bond length is 2.01 Å. The V(2)-O(6) bond length is 2.07 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Ca(1), one Ho(1), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), one V(1), and one V(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one V(1), and one V(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded in a distorted tetrahedral geometry to one Ca(1), one Ho(1), one V(1), and one V(2) atom.