Materials Data on NbSiAs by Materials Project
NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Nb–Si bond lengths are 2.68 Å. There are four shorter (2.71 Å) and one longer (2.85 Å) Nb–As bond lengths. Si4- is bonded to four equivalent Nb5+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiNb4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.
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