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DOE OSTI · 1687099

Materials Data on GaSnSe2 by Materials Project

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Abstract

GaSnSe2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two GaSnSe2 sheets oriented in the (0, 0, 1) direction. Ga2+ is bonded in a distorted T-shaped geometry to three Se2- atoms. There are one shorter (2.55 Å) and two longer (2.58 Å) Ga–Se bond lengths. Sn2+ is bonded in a 6-coordinate geometry to three Se2- atoms. There are two shorter (2.80 Å) and one longer (2.90 Å) Sn–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to one Ga2+ and two equivalent Sn2+ atoms. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two equivalent Ga2+ and one Sn2+ atom.

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36 MATERIALS SCIENCEcrystal structureGa-Se-SnGaSnSe2

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2020-05-02. Materials Data on GaSnSe2 by Materials Project. https://doi.org/10.17188/1687099

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