FeRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the second Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom.
FeRe2O6 is beta Vanadium nitride-derived structured and crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Both Re(1)-O(1) bond lengths are 1.97 Å. There are two shorter (2.00 Å) and two longer (2.05 Å) Re(1)-O(2,2) bond lengths. In the second Re site, Re(1) is bonded to two equivalent O(1) and four O(2,2) atoms to form ReO6 octahedra that share corners with four equivalent Re(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra,  an edgeedge with one Re(1)O6 octahedra, and  an edgeedge with one Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Both Re(1)-O(1) bond lengths are 1.97 Å. There are two shorter (2.00 Å) and two longer (2.04 Å) Re(1)-O(2,2) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Both Fe(1)-O(1) bond lengths are 1.90 Å. All Fe(1)-O(2) bond lengths are 2.04 Å. In the second Fe site, Fe(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form FeO6 octahedra that share corners with eight equivalent Re(1)O6 octahedra and edges with two equivalent Re(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. Both Fe(1)-O(1) bond lengths are 1.90 Å. All Fe(1)-O(2) bond lengths are 2.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the second O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Re(1) and one Fe(1) atom. In the third O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom. In the fourth O site, O(2) is bonded in a distorted T-shaped geometry to two Re(1,1) and one Fe(1) atom.