Materials Data on SnPSe3 by Materials Project

Kristin Persson
SnPSe3 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a distorted square pyramidal geometry to five Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.91–3.21 Å. In the second Sn2+ site, Sn2+ is bonded in a 5-coordinate geometry to five Se2- atoms. There are a spread of Sn–Se bond distances ranging from 2.90–3.17...
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