Materials Data on Ca2SnS4 by Materials Project

Kristin Persson
Ca2SnS4 is Spinel-like structured and crystallizes in the tetragonal P4_122 space group. The structure is three-dimensional. there are two inequivalent Ca2+ sites. In the first Ca2+ site, Ca2+ is bonded to six S2- atoms to form CaS6 octahedra that share corners with six equivalent CaS4 tetrahedra, edges with two equivalent CaS6 octahedra, and edges with four equivalent SnS6 octahedra. There are a spread of Ca–S bond distances ranging from 2.82–2.87 Å. In the second Ca2+...
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