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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce(IO3)4 by Materials Project

Ce(IO3)4 crystallizes in the tetragonal P4_2/n space group. The structure is one-dimensional and consists of two Ce(IO3)4 ribbons oriented in the (0, 0, 1) direction. Ce4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.41 Å) Ce–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.86 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ce4+ and one I5+ atom. The O–I bond length is 1.85 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one I5+ atom. The O–I bond length is 1.81 Å. I5+ is bonded in a 3-coordinate geometry to three O2- atoms. The I–O bond length is 1.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(IO3)2 by Materials Project

Ce(O3I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ce is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Ce–O bond distances ranging from 2.09–2.64 Å. There are six inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to two equivalent Ce and one I atom. The O–I bond length is 1.90 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Ce and one I atom. The O–I bond length is 1.83 Å. In the third O site, O is bonded in a 1-coordinate geometry to one Ce and one I atom. The O–I bond length is 1.87 Å. In the fourth O site, O is bonded in a distorted trigonal planar geometry to one Ce and two I atoms. There are one shorter (1.87 Å) and one longer (2.64 Å) O–I bond lengths. In the fifth O site, O is bonded in a water-like geometry to two equivalent Ce atoms. In the sixth O site, O is bonded in a distorted trigonal planar geometry to one Ce and two I atoms. There are one shorter (1.93 Å) and one longer (2.51 Å) O–I bond lengths. There are two inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to four O atoms. In the second I site, I is bonded in a 2-coordinate geometry to three O atoms.

36 MATERIALS SCIENCE↗