KCrV2O7 crystallizes in the monoclinic P2/c space group. K(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent O(2) atoms. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent K(1), one V(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded to two equivalent V(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OV2Cr2 trigonal pyramids.
KCrV2O7 crystallizes in the monoclinic P2/c space group. K(1) is bonded in a 10-coordinate geometry to four equivalent O(1) and six equivalent O(2) atoms. There are two shorter (3.08 Å) and two longer (3.20 Å) K(1)-O(1) bond lengths. There are a spread of K(1)-O(2) bond distances ranging from 2.87-3.10 Å. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. The V(1)-O(1) bond length is 1.74 Å. The V(1)-O(2) bond length is 1.64 Å. The V(1)-O(4) bond length is 2.09 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) V(1)-O(3) bond length. Cr(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedral tilt angles are 63°. Both Cr(1)-O(1) bond lengths are 1.99 Å. Both Cr(1)-O(3) bond lengths are 2.02 Å. Both Cr(1)-O(4) bond lengths are 2.05 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to two equivalent K(1), one V(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent K(1) and one V(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded to two equivalent V(1) and two equivalent Cr(1) atoms to form distorted corner-sharing OV2Cr2 trigonal pyramids.