ZrCrO3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted ZrO6 pentagonal pyramids that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Zr(1)O6 pentagonal pyramids, edges with four equivalent Cr(1)O6 octahedra, and edges with two equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 54-79°. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with four equivalent Zr(1)O6 pentagonal pyramids, and edges with four equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 52-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Cr2 trigonal pyramids.
ZrCrO3 is Hausmannite-derived structured and crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted ZrO6 pentagonal pyramids that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent Zr(1)O6 pentagonal pyramids, edges with four equivalent Cr(1)O6 octahedra, and edges with two equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 54-79°. There is one shorter (2.02 Å) and one longer (2.11 Å) Zr(1)-O(1) bond length. There are two shorter (2.15 Å) and two longer (2.23 Å) Zr(1)-O(2) bond lengths. Cr(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted CrO6 octahedra that share corners with six equivalent Cr(1)O6 octahedra, corners with four equivalent Zr(1)O6 pentagonal pyramids, and edges with four equivalent Zr(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 52-56°. Both Cr(1)-O(1) bond lengths are 2.60 Å. There are two shorter (2.07 Å) and two longer (2.08 Å) Cr(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Zr(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded to two equivalent Zr(1) and two equivalent Cr(1) atoms to form a mixture of distorted corner and edge-sharing OZr2Cr2 trigonal pyramids.