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Title: Materials Data on CaUI6 by Materials Project

Abstract

CaUI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with six equivalent UI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ca–I bond lengths are 3.17 Å. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share corners with six equivalent CaI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All U–I bond lengths are 3.02 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one U4+ atom.

Publication Date:
Other Number(s):
mp-1213956
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; CaUI6; Ca-I-U
OSTI Identifier:
1757490
DOI:
https://doi.org/10.17188/1757490

Citation Formats

The Materials Project. Materials Data on CaUI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757490.
The Materials Project. Materials Data on CaUI6 by Materials Project. United States. doi:https://doi.org/10.17188/1757490
The Materials Project. 2020. "Materials Data on CaUI6 by Materials Project". United States. doi:https://doi.org/10.17188/1757490. https://www.osti.gov/servlets/purl/1757490. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757490,
title = {Materials Data on CaUI6 by Materials Project},
author = {The Materials Project},
abstractNote = {CaUI6 is Upper Bainite-derived structured and crystallizes in the trigonal P-31c space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent I1- atoms to form CaI6 octahedra that share corners with six equivalent UI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ca–I bond lengths are 3.17 Å. U4+ is bonded to six equivalent I1- atoms to form UI6 octahedra that share corners with six equivalent CaI6 octahedra. The corner-sharing octahedral tilt angles are 48°. All U–I bond lengths are 3.02 Å. I1- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and one U4+ atom.},
doi = {10.17188/1757490},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}