Materials Data on NbAs2 by Materials Project
NbAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nb5+ is bonded in a 8-coordinate geometry to eight As+2.50- atoms. There are a spread of Nb–As bond distances ranging from 2.68–2.76 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded in a 4-coordinate geometry to three equivalent Nb5+ and three equivalent As+2.50- atoms. There are one shorter (2.48 Å) and two longer (2.87 Å) As–As bond lengths. In the second As+2.50- site, As+2.50- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.
36 MATERIALS SCIENCE↗