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Title: Materials Data on U2B6W by Materials Project

Abstract

U2WB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of U–B bond distances ranging from 2.64–2.80 Å. In the second U3+ site, U3+ is bonded in a 12-coordinate geometry to one U3+ and twelve B2- atoms. The U–U bond length is 2.53 Å. There are a spread of U–B bond distances ranging from 2.63–2.74 Å. W6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of W–B bond distances ranging from 2.37–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent W6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.78–1.83 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.69 Å) and one longer (1.81 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, twomore » equivalent W6+, and three B2- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.68 Å) and one longer (1.83 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six U3+ and two B2- atoms.« less

Publication Date:
Other Number(s):
mp-1203029
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; U2B6W; B-U-W
OSTI Identifier:
1744218
DOI:
https://doi.org/10.17188/1744218

Citation Formats

The Materials Project. Materials Data on U2B6W by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744218.
The Materials Project. Materials Data on U2B6W by Materials Project. United States. doi:https://doi.org/10.17188/1744218
The Materials Project. 2020. "Materials Data on U2B6W by Materials Project". United States. doi:https://doi.org/10.17188/1744218. https://www.osti.gov/servlets/purl/1744218. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744218,
title = {Materials Data on U2B6W by Materials Project},
author = {The Materials Project},
abstractNote = {U2WB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent U3+ sites. In the first U3+ site, U3+ is bonded in a 2-coordinate geometry to fourteen B2- atoms. There are a spread of U–B bond distances ranging from 2.64–2.80 Å. In the second U3+ site, U3+ is bonded in a 12-coordinate geometry to one U3+ and twelve B2- atoms. The U–U bond length is 2.53 Å. There are a spread of U–B bond distances ranging from 2.63–2.74 Å. W6+ is bonded in a 10-coordinate geometry to ten B2- atoms. There are a spread of W–B bond distances ranging from 2.37–2.42 Å. There are six inequivalent B2- sites. In the first B2- site, B2- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent W6+, and three B2- atoms. There are a spread of B–B bond distances ranging from 1.78–1.83 Å. In the second B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.69 Å) and one longer (1.81 Å) B–B bond length. In the third B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.77 Å) and one longer (1.79 Å) B–B bond length. In the fourth B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. There is one shorter (1.68 Å) and one longer (1.83 Å) B–B bond length. In the fifth B2- site, B2- is bonded in a 9-coordinate geometry to four U3+, two equivalent W6+, and three B2- atoms. In the sixth B2- site, B2- is bonded in a 8-coordinate geometry to six U3+ and two B2- atoms.},
doi = {10.17188/1744218},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}