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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1305755
- Report Number(s):
- mp-778759
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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