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Title: Materials Data on ThUB8 by Materials Project

Abstract

UThB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eighteen B atoms. There are a spread of U–B bond distances ranging from 2.70–3.03 Å. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.75–3.01 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent U, two equivalent Th, and five B atoms. There are a spread of B–B bond distances ranging from 1.62–1.78 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent U, two equivalent Th, and five B atoms. There are a spread of B–B bond distances ranging from 1.70–1.88 Å. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent U, two equivalent Th, and five B atoms. The B–B bond length is 1.72 Å. In the fourth B site, B is bonded in a distorted trigonal planar geometry to four equivalent U, two equivalent Th, and three B atoms. The B–B bond length is 1.76 Å. In the fifth Bmore » site, B is bonded in a 3-coordinate geometry to two equivalent U, four equivalent Th, and three B atoms. The B–B bond length is 1.81 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1217340
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; ThUB8; B-Th-U
OSTI Identifier:
1672500
DOI:
https://doi.org/10.17188/1672500

Citation Formats

The Materials Project. Materials Data on ThUB8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672500.
The Materials Project. Materials Data on ThUB8 by Materials Project. United States. doi:https://doi.org/10.17188/1672500
The Materials Project. 2020. "Materials Data on ThUB8 by Materials Project". United States. doi:https://doi.org/10.17188/1672500. https://www.osti.gov/servlets/purl/1672500. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1672500,
title = {Materials Data on ThUB8 by Materials Project},
author = {The Materials Project},
abstractNote = {UThB8 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to eighteen B atoms. There are a spread of U–B bond distances ranging from 2.70–3.03 Å. Th is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Th–B bond distances ranging from 2.75–3.01 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 1-coordinate geometry to two equivalent U, two equivalent Th, and five B atoms. There are a spread of B–B bond distances ranging from 1.62–1.78 Å. In the second B site, B is bonded in a 9-coordinate geometry to two equivalent U, two equivalent Th, and five B atoms. There are a spread of B–B bond distances ranging from 1.70–1.88 Å. In the third B site, B is bonded in a 9-coordinate geometry to two equivalent U, two equivalent Th, and five B atoms. The B–B bond length is 1.72 Å. In the fourth B site, B is bonded in a distorted trigonal planar geometry to four equivalent U, two equivalent Th, and three B atoms. The B–B bond length is 1.76 Å. In the fifth B site, B is bonded in a 3-coordinate geometry to two equivalent U, four equivalent Th, and three B atoms. The B–B bond length is 1.81 Å.},
doi = {10.17188/1672500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}