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Title: Materials Data on U3Co7B2 by Materials Project

Abstract

U3Co7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two U, twelve equivalent Co, and six B atoms. Both U–U bond lengths are 3.06 Å. All U–Co bond lengths are 2.86 Å. All U–B bond lengths are 2.86 Å. In the second U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. All U–U bond lengths are 2.98 Å. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. In the third U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. There are three shorter (2.98 Å) and one longer (3.06 Å) U–U bond lengths. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. In the fourth U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent U and six equivalent Co atoms to formmore » edge-sharing CoU6Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to five U, one Co, and two B atoms. There are one shorter (2.02 Å) and one longer (2.04 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505344
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; U3Co7B2; B-Co-U
OSTI Identifier:
1262500
DOI:
10.17188/1262500

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U3Co7B2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262500.
Persson, Kristin, & Project, Materials. Materials Data on U3Co7B2 by Materials Project. United States. doi:10.17188/1262500.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U3Co7B2 by Materials Project". United States. doi:10.17188/1262500. https://www.osti.gov/servlets/purl/1262500. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1262500,
title = {Materials Data on U3Co7B2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U3Co7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two U, twelve equivalent Co, and six B atoms. Both U–U bond lengths are 3.06 Å. All U–Co bond lengths are 2.86 Å. All U–B bond lengths are 2.86 Å. In the second U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. All U–U bond lengths are 2.98 Å. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. In the third U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. There are three shorter (2.98 Å) and one longer (3.06 Å) U–U bond lengths. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. In the fourth U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent U and six equivalent Co atoms to form edge-sharing CoU6Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to five U, one Co, and two B atoms. There are one shorter (2.02 Å) and one longer (2.04 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms.},
doi = {10.17188/1262500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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