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NbV2Os crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NbV2Os ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to two equivalent V atoms. Both Nb–V bond lengths are 2.26 Å. V is bonded in a linear geometry to one Nb and one Os atom. The V–Os bond length is 2.21 Å. Os is bonded in a linear geometry to two equivalent V atoms.
Nb2VOs crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Nb2VOs ribbons oriented in the (1, 0, 0) direction. Nb is bonded in a linear geometry to one V and one Os atom. The Nb–V bond length is 2.16 Å. The Nb–Os bond length is 2.27 Å. V is bonded in a linear geometry to two equivalent Nb atoms. Os is bonded in a linear geometry to two equivalent Nb atoms.