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Title: Materials Data on Ce(IO3)2 by Materials Project

Abstract

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 shortermore » (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.« less

Publication Date:
Other Number(s):
mp-778759
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ce(IO3)2; Ce-I-O
OSTI Identifier:
1305755
DOI:
10.17188/1305755

Citation Formats

The Materials Project. Materials Data on Ce(IO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1305755.
The Materials Project. Materials Data on Ce(IO3)2 by Materials Project. United States. doi:10.17188/1305755.
The Materials Project. 2020. "Materials Data on Ce(IO3)2 by Materials Project". United States. doi:10.17188/1305755. https://www.osti.gov/servlets/purl/1305755. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1305755,
title = {Materials Data on Ce(IO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1305755},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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