Materials Data on Mo2As3P by Materials Project
Mo2As3P crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mo2+ sites. In the first Mo2+ site, Mo2+ is bonded to seven As3- atoms to form a mixture of distorted face and corner-sharing MoAs7 pentagonal bipyramids. There are a spread of Mo–As bond distances ranging from 2.59–2.77 Å. In the second Mo2+ site, Mo2+ is bonded in a 6-coordinate geometry to six As3- atoms. There are a spread of Mo–As bond distances ranging from 2.58–2.79 Å. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. There are two shorter (2.92 Å) and one longer (2.97 Å) As–As bond lengths. In the second As3- site, As3- is bonded in a 8-coordinate geometry to five Mo2+ and three equivalent As3- atoms. In the third As3- site, As3- is bonded in a 6-coordinate geometry to three Mo2+ and three equivalent P5+ atoms. There are one shorter (2.38 Å) and two longer (2.73 Å) As–P bond lengths. P5+ is bonded in a 1-coordinate geometry to three equivalent As3- atoms.