NbWB is half-Heusler structured and crystallizes in the cubic F-43m space group. Nb(1) is bonded in a body-centered cubic geometry to four equivalent W(1) and four equivalent B(1) atoms. W(1) is bonded to four equivalent Nb(1) and six equivalent B(1) atoms to form distorted WNb4B6 tetrahedra that share corners with four equivalent B(1)Nb4W6 tetrahedra, corners with six equivalent W(1)Nb4B6 tetrahedra, edges with six equivalent B(1)Nb4W6 tetrahedra, and faces with twelve equivalent W(1)Nb4B6 tetrahedra. B(1) is bonded to four equivalent Nb(1) and six equivalent W(1) atoms to form distorted BNb4W6 tetrahedra that share corners with four equivalent W(1)Nb4B6 tetrahedra, corners with six equivalent B(1)Nb4W6 tetrahedra, edges with six equivalent W(1)Nb4B6 tetrahedra, and faces with twelve equivalent B(1)Nb4W6 tetrahedra.
NbWB is half-Heusler structured and crystallizes in the cubic F-43m space group. Nb(1) is bonded in a body-centered cubic geometry to four equivalent W(1) and four equivalent B(1) atoms. All Nb(1)-W(1) bond lengths are 2.55 Å. All Nb(1)-B(1) bond lengths are 2.55 Å. W(1) is bonded to four equivalent Nb(1) and six equivalent B(1) atoms to form distorted WNb4B6 tetrahedra that share corners with four equivalent B(1)Nb4W6 tetrahedra, corners with six equivalent W(1)Nb4B6 tetrahedra, edges with six equivalent B(1)Nb4W6 tetrahedra, and faces with twelve equivalent W(1)Nb4B6 tetrahedra. All W(1)-B(1) bond lengths are 2.95 Å. B(1) is bonded to four equivalent Nb(1) and six equivalent W(1) atoms to form distorted BNb4W6 tetrahedra that share corners with four equivalent W(1)Nb4B6 tetrahedra, corners with six equivalent B(1)Nb4W6 tetrahedra, edges with six equivalent W(1)Nb4B6 tetrahedra, and faces with twelve equivalent B(1)Nb4W6 tetrahedra.