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W3Re crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. W is bonded in a 6-coordinate geometry to two equivalent W and four equivalent Re atoms. Both W–W bond lengths are 2.53 Å. All W–Re bond lengths are 2.83 Å. Re is bonded to twelve equivalent W atoms to form a mixture of edge and face-sharing ReW12 cuboctahedra.
W3Re crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent W sites. In the first W site, W is bonded in a 8-coordinate geometry to two equivalent W and two equivalent Re atoms. Both W–W bond lengths are 2.75 Å. Both W–Re bond lengths are 2.74 Å. In the second W site, W is bonded in a distorted body-centered cubic geometry to eight W atoms. All W–W bond lengths are 2.74 Å. Re is bonded in a 4-coordinate geometry to four equivalent W atoms.