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DOE OSTI · 1203627

Materials Data on GeAsSe by Materials Project

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Abstract

GeAsSe crystallizes in the orthorhombic Pnna space group. The structure is two-dimensional and consists of two GeAsSe sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.51 Å. Both Ge–Se bond lengths are 2.39 Å. In the second Ge4+ site, Ge4+ is bonded to two equivalent As2- and two equivalent Se2- atoms to form corner-sharing GeAs2Se2 tetrahedra. Both Ge–As bond lengths are 2.50 Å. Both Ge–Se bond lengths are 2.41 Å. As2- is bonded in a distorted trigonal non-coplanar geometry to two Ge4+ and one As2- atom. The As–As bond length is 2.49 Å. Se2- is bonded in an L-shaped geometry to two Ge4+ atoms.

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36 MATERIALS SCIENCEAs-Ge-Secrystal structureGeAsSe

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2020-07-23. Materials Data on GeAsSe by Materials Project. https://doi.org/10.17188/1203627

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