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DOE OSTI · 1281120

Materials Data on Ce10Se19 by Materials Project

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Abstract

Ce10Se19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ce+3.80+ sites. In the first Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.13 Å. In the second Ce+3.80+ site, Ce+3.80+ is bonded in a 8-coordinate geometry to eight Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.01–3.09 Å. In the third Ce+3.80+ site, Ce+3.80+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Ce–Se bond distances ranging from 3.04–3.18 Å. There are six inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to four equivalent Ce+3.80+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce+3.80+ atoms. In the fourth Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Ce+3.80+ atoms. In the sixth Se2- site, Se2- is bonded to five Ce+3.80+ atoms to form a mixture of distorted edge and corner-sharing SeCe5 trigonal bipyramids.

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36 MATERIALS SCIENCECe-SeCe10Se19crystal structure

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2020-05-01. Materials Data on Ce10Se19 by Materials Project. https://doi.org/10.17188/1281120

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