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DOE OSTI · 1757155

Materials Data on Gd2Se3 by Materials Project

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Abstract

Gd2Se3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded to seven Se2- atoms to form a mixture of distorted corner and edge-sharing GdSe7 pentagonal bipyramids. There are a spread of Gd–Se bond distances ranging from 2.91–2.97 Å. In the second Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Gd–Se bond distances ranging from 2.99–3.51 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Gd3+ atoms to form a mixture of distorted corner and edge-sharing SeGd5 trigonal bipyramids. In the second Se2- site, Se2- is bonded to five Gd3+ atoms to form a mixture of distorted corner and edge-sharing SeGd5 square pyramids. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to five Gd3+ atoms.

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36 MATERIALS SCIENCEcrystal structureGd-SeGd2Se3

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2020-09-03. Materials Data on Gd2Se3 by Materials Project. https://doi.org/10.17188/1757155

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