Materials Data on Ca3Sn2S7 by Materials Project

Kristin Persson
Ca3Sn2S7 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are four inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to twelve S2- atoms to form distorted CaS12 cuboctahedra that share corners with four equivalent CaS12 cuboctahedra, faces with four equivalent CaS12 cuboctahedra, and faces with eight equivalent SnS6 octahedra. There are a spread of Ca–S bond distances ranging from 3.27–3.54 Å. In the second Ca2+ site, Ca2+ is...
This data repository is not currently reporting usage information. For information on how your repository can submit usage information, please see our documentation.