Materials Data on K3Ag3As2 by Materials Project
K3Ag3As2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent As3- atoms to form a mixture of distorted edge and corner-sharing KAs4 trigonal pyramids. There are one shorter (3.32 Å) and three longer (3.52 Å) K–As bond lengths. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As3- atoms. All K–As bond lengths are 3.91 Å. Ag1+ is bonded in a linear geometry to two equivalent As3- atoms. Both Ag–As bond lengths are 2.58 Å. As3- is bonded in a 7-coordinate geometry to seven K1+ and three equivalent Ag1+ atoms.
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