Materials Data on K2Na4ZnSn2 by Materials Project

Abstract

K2Na4ZnSn2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 4-coordinate geometry to four Sn atoms. There are a spread of K–Sn bond distances ranging from 3.67–3.88 Å. In the second K site, K is bonded in a 2-coordinate geometry to one Zn and four Sn atoms. The K–Zn bond length is 3.43 Å. There are a spread of K–Sn bond distances ranging from 3.70–4.09 Å. There are four inequivalent Na sites. In the first Na site, Na is bonded in a 3-coordinate geometry to one Zn and three Sn atoms. The Na–Zn bond length is 3.09 Å. There are a spread of Na–Sn bond distances ranging from 3.31–3.75 Å. In the second Na site, Na is bonded in a 4-coordinate geometry to one Zn and three Sn atoms. The Na–Zn bond length is 3.24 Å. There are a spread of Na–Sn bond distances ranging from 3.34–3.54 Å. In the third Na site, Na is bonded in a 3-coordinate geometry to three Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.32–3.44 Å. In the fourth Na site, Na is bonded in a 3-coordinate geometry to one Zn and three Sn atoms. The Na–Zn bond length is 3.14 Å. There are a spread of Na–Sn bond distances ranging from 3.32–3.43 Å. Zn is bonded in a 6-coordinate geometry to one K, three Na, and two Sn atoms. There are one shorter (2.59 Å) and one longer (2.61 Å) Zn–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 10-coordinate geometry to three K, six Na, and one Zn atom. In the second Sn site, Sn is bonded in a 1-coordinate geometry to five K, six Na, and one Zn atom.