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Title: Materials Data on Lu2CoB6 by Materials Project

Abstract

Lu2CoB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to three equivalent Co and fourteen B atoms. There are a spread of Lu–Co bond distances ranging from 3.02–3.13 Å. There are a spread of Lu–B bond distances ranging from 2.65–2.71 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to two equivalent Co and twelve B atoms. Both Lu–Co bond lengths are 2.79 Å. There are a spread of Lu–B bond distances ranging from 2.52–2.55 Å. Co is bonded in a 12-coordinate geometry to five Lu and ten B atoms. There are a spread of Co–B bond distances ranging from 2.26–2.33 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Lu and three B atoms. There are a spread of B–B bond distances ranging from 1.77–2.03 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Lu, two equivalent Co, and three B atoms. There is two shorter (1.75 Å) and one longer (1.79 Å) B–B bondmore » length. In the third B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms. The B–B bond length is 1.80 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms. The B–B bond length is 1.78 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505543
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; Lu2CoB6; B-Co-Lu
OSTI Identifier:
1262580
DOI:
10.17188/1262580

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Lu2CoB6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262580.
Persson, Kristin, & Project, Materials. Materials Data on Lu2CoB6 by Materials Project. United States. doi:10.17188/1262580.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Lu2CoB6 by Materials Project". United States. doi:10.17188/1262580. https://www.osti.gov/servlets/purl/1262580. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1262580,
title = {Materials Data on Lu2CoB6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Lu2CoB6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to three equivalent Co and fourteen B atoms. There are a spread of Lu–Co bond distances ranging from 3.02–3.13 Å. There are a spread of Lu–B bond distances ranging from 2.65–2.71 Å. In the second Lu site, Lu is bonded in a 12-coordinate geometry to two equivalent Co and twelve B atoms. Both Lu–Co bond lengths are 2.79 Å. There are a spread of Lu–B bond distances ranging from 2.52–2.55 Å. Co is bonded in a 12-coordinate geometry to five Lu and ten B atoms. There are a spread of Co–B bond distances ranging from 2.26–2.33 Å. There are six inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to six Lu and three B atoms. There are a spread of B–B bond distances ranging from 1.77–2.03 Å. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Lu, two equivalent Co, and three B atoms. There is two shorter (1.75 Å) and one longer (1.79 Å) B–B bond length. In the third B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms. The B–B bond length is 1.80 Å. In the fourth B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms. There is one shorter (1.69 Å) and one longer (1.83 Å) B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms. The B–B bond length is 1.78 Å. In the sixth B site, B is bonded in a 9-coordinate geometry to four Lu, two equivalent Co, and three B atoms.},
doi = {10.17188/1262580},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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