Materials Data on MoAs2 by Materials Project

MoAs2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mo6+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are a spread of Mo–As bond distances ranging from 2.59–2.75 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 6-coordinate geometry to three equivalent Mo6+ and three equivalent As3- atoms. There are one shorter (2.47 Å) and two longer (2.75 Å) As–As bond lengths. In the second As3- site, As3- is bonded in a 8-coordinate geometry to five equivalent Mo6+ and three equivalent As3- atoms. All As–As bond lengths are 2.97 Å.