CrReO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form ReO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form ReO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(2), one Re(1), and one Re(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Re(1), and one Re(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(2), one Re(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Re(1), and one Re(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Re(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Re(2) atom.
CrReO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-45°. The Cr(1)-O(2) bond length is 1.94 Å. The Cr(1)-O(4) bond length is 1.94 Å. Both Cr(1)-O(5) bond lengths are 2.02 Å. Both Cr(1)-O(6) bond lengths are 2.01 Å. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Re(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. The Cr(2)-O(1) bond length is 2.18 Å. The Cr(2)-O(3) bond length is 2.17 Å. Both Cr(2)-O(5) bond lengths are 1.95 Å. Both Cr(2)-O(6) bond lengths are 1.95 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form ReO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent Re(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-51°. The Re(1)-O(1) bond length is 2.02 Å. The Re(1)-O(2) bond length is 2.01 Å. The Re(1)-O(3) bond length is 2.02 Å. The Re(1)-O(4) bond length is 1.99 Å. Both Re(1)-O(5) bond lengths are 1.92 Å. In the second Re site, Re(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(6) atoms to form ReO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-51°. The Re(2)-O(1) bond length is 2.04 Å. The Re(2)-O(2) bond length is 1.97 Å. The Re(2)-O(3) bond length is 2.03 Å. The Re(2)-O(4) bond length is 1.99 Å. Both Re(2)-O(6) bond lengths are 1.93 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Cr(2), one Re(1), and one Re(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Re(1), and one Re(2) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Cr(2), one Re(1), and one Re(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(1), one Re(1), and one Re(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Re(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Cr(1), one Cr(2), and one Re(2) atom.