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DOE OSTI · 1742474

Materials Data on Yb(GaSe2)2 by Materials Project

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Abstract

Yb(GaSe2)2 crystallizes in the orthorhombic Cccm space group. The structure is three-dimensional. Yb2+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are four shorter (3.13 Å) and four longer (3.18 Å) Yb–Se bond lengths. Ga3+ is bonded to four Se2- atoms to form edge-sharing GaSe4 tetrahedra. There are a spread of Ga–Se bond distances ranging from 2.43–2.48 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Yb2+ and two equivalent Ga3+ atoms. In the second Se2- site, Se2- is bonded to two equivalent Yb2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SeYb2Ga2 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureGa-Se-YbYb(GaSe2)2

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2020-05-03. Materials Data on Yb(GaSe2)2 by Materials Project. https://doi.org/10.17188/1742474

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