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Title: Materials Data on UCd3O6 by Materials Project

Abstract

UCd3O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are four shorter (2.07 Å) and two longer (2.18 Å) U–O bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of Cd–O bond distances ranging from 2.27–2.39 Å. In the second Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Cd2+ atoms to form distorted corner-sharing OUCd3 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-754725
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; UCd3O6; Cd-O-U
OSTI Identifier:
1289533
DOI:
https://doi.org/10.17188/1289533

Citation Formats

The Materials Project. Materials Data on UCd3O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289533.
The Materials Project. Materials Data on UCd3O6 by Materials Project. United States. doi:https://doi.org/10.17188/1289533
The Materials Project. 2020. "Materials Data on UCd3O6 by Materials Project". United States. doi:https://doi.org/10.17188/1289533. https://www.osti.gov/servlets/purl/1289533. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1289533,
title = {Materials Data on UCd3O6 by Materials Project},
author = {The Materials Project},
abstractNote = {UCd3O6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are four shorter (2.07 Å) and two longer (2.18 Å) U–O bond lengths. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 40–46°. There are a spread of Cd–O bond distances ranging from 2.27–2.39 Å. In the second Cd2+ site, Cd2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Cd–O bond distances ranging from 2.25–2.30 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one U6+ and three Cd2+ atoms to form distorted corner-sharing OUCd3 trigonal pyramids. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two Cd2+ atoms.},
doi = {10.17188/1289533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}