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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce2(SO6)3 by Materials Project

Ce2(SO6)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.10–2.90 Å. There are two inequivalent S sites. In the first S site, S is bonded in a distorted tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.43–1.89 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. All S–O bond lengths are 1.49 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one Ce and one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Ce atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Ce and one O atom. The O–O bond length is 1.32 Å. In the sixth O site, O is bonded in a 3-coordinate geometry to one Ce, one S, and one O atom. In the seventh O site, O is bonded in a water-like geometry to two equivalent Ce atoms. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Ce and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce2(SO6)3 by Materials Project

Ce2(SO6)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ce is bonded in a 1-coordinate geometry to six O atoms. There are a spread of Ce–O bond distances ranging from 1.88–2.42 Å. There are two inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.45 Å) and two longer (1.52 Å) S–O bond length. There are nine inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ce and one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a distorted linear geometry to one Ce and one S atom. In the fourth O site, O is bonded in a water-like geometry to one Ce and one O atom. The O–O bond length is 1.81 Å. In the fifth O site, O is bonded in a single-bond geometry to one Ce atom. In the sixth O site, O is bonded in a distorted linear geometry to one Ce and one S atom. In the seventh O site, O is bonded in a 2-coordinate geometry to two O atoms. The O–O bond length is 1.26 Å. In the eighth O site, O is bonded in a distorted bent 120 degrees geometry to one Ce and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom.

36 MATERIALS SCIENCE↗