NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nb(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent As(1) atoms. Si(1) is bonded to four equivalent Nb(1) and four equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing SiNb4Si4 hexagonal bipyramids. As(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms.
NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. Nb(1) is bonded in a 9-coordinate geometry to four equivalent Si(1) and five equivalent As(1) atoms. All Nb(1)-Si(1) bond lengths are 2.67 Å. There are four shorter (2.70 Å) and one longer (2.86 Å) Nb(1)-As(1) bond length. Si(1) is bonded to four equivalent Nb(1) and four equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing SiNb4Si4 hexagonal bipyramids. All Si(1)-Si(1) bond lengths are 2.48 Å. As(1) is bonded in a 5-coordinate geometry to five equivalent Nb(1) atoms.