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DOE OSTI · 1711799

Materials Data on SnGeSe2 by Materials Project

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Abstract

SnGeSe2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two SnGeSe2 sheets oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.80 Å) and one longer (2.82 Å) Sn–Se bond lengths. Ge2+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are one shorter (2.57 Å) and two longer (2.63 Å) Ge–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sn2+ and one Ge2+ atom. In the second Se2- site, Se2- is bonded in a distorted trigonal non-coplanar geometry to one Sn2+ and two equivalent Ge2+ atoms.

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36 MATERIALS SCIENCEcrystal structureGe-Se-SnSnGeSe2

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2020-05-03. Materials Data on SnGeSe2 by Materials Project. https://doi.org/10.17188/1711799

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