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NbWMo2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbWMo2 ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent Mo atoms. Both Nb–Mo bond lengths are 2.30 Å. W is bonded in a linear geometry to two equivalent Mo atoms. Both W–Mo bond lengths are 2.30 Å. Mo is bonded in a linear geometry to one Nb and one W atom.
MoNbW crystallizes in the orthorhombic Fmm2 space group. The structure is two-dimensional and consists of two MoNbW sheets oriented in the (0, 1, 0) direction. Nb is bonded in a 4-coordinate geometry to two equivalent W and two equivalent Mo atoms. Both Nb–W bond lengths are 2.82 Å. Both Nb–Mo bond lengths are 2.81 Å. W is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent Mo atoms. Both W–Mo bond lengths are 2.72 Å. Mo is bonded in a 4-coordinate geometry to two equivalent Nb and two equivalent W atoms.