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DOE OSTI2020

Materials Data on SnAs3 by Materials Project

SnAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn4+ is bonded in a body-centered cubic geometry to eight equivalent As+1.33- atoms. All Sn–As bond lengths are 3.01 Å. There are two inequivalent As+1.33- sites. In the first As+1.33- site, As+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Sn4+ and four equivalent As+1.33- atoms. All As–As bond lengths are 3.01 Å. In the second As+1.33- site, As+1.33- is bonded in a body-centered cubic geometry to eight equivalent As+1.33- atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on SnAs3 by Materials Project

SnAs(As)2 is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two As sheets oriented in the (0, 0, 1) direction and two SnAs sheets oriented in the (0, 0, 1) direction. In each As sheet, As+1.33- is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All As–As bond lengths are 2.80 Å. In each SnAs sheet, Sn4+ is bonded in a square co-planar geometry to four equivalent As+1.33- atoms. All Sn–As bond lengths are 2.80 Å. As+1.33- is bonded in a square co-planar geometry to four equivalent Sn4+ atoms.

36 MATERIALS SCIENCE↗