Materials Data on In3AsSe3 by Materials Project

Kristin Persson
In3Se3As crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are three inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Se2- atoms to form corner-sharing InSe4 tetrahedra. There are a spread of In–Se bond distances ranging from 2.56–2.69 Å. In the second In3+ site, In3+ is bonded to one As3- and three Se2- atoms to form corner-sharing InAsSe3 tetrahedra. The In–As bond length is 2.67 Å. There...
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