CaHoCr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), and four equivalent O(2) atoms. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OCaHoCr2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ho(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OCaHoCr2 tetrahedra.
CaHoCr2O6 is Orthorhombic Perovskite-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(3), and four equivalent O(2) atoms. The Ca(1)-O(1) bond length is 2.40 Å. The Ca(1)-O(4) bond length is 2.29 Å. Both Ca(1)-O(3) bond lengths are 2.33 Å. There are two shorter (2.56 Å) and two longer (2.68 Å) Ca(1)-O(2) bond lengths. Ho(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), two equivalent O(2), and four equivalent O(3) atoms. The Ho(1)-O(1) bond length is 2.25 Å. The Ho(1)-O(4) bond length is 2.28 Å. Both Ho(1)-O(2) bond lengths are 2.28 Å. There are two shorter (2.44 Å) and two longer (2.69 Å) Ho(1)-O(3) bond lengths. Cr(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. The Cr(1)-O(1) bond length is 1.98 Å. The Cr(1)-O(4) bond length is 1.97 Å. There is one shorter (1.95 Å) and one longer (2.02 Å) Cr(1)-O(2) bond length. There is one shorter (1.98 Å) and one longer (2.02 Å) Cr(1)-O(3) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Ho(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OCaHoCr2 tetrahedra. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ca(1), one Ho(1), and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Ca(1), two equivalent Ho(1), and two equivalent Cr(1) atoms. In the fourth O site, O(4) is bonded to one Ca(1), one Ho(1), and two equivalent Cr(1) atoms to form distorted corner-sharing OCaHoCr2 tetrahedra.