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Title: Materials Data on Gd2B5 by Materials Project

Abstract

Gd2B5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Gd–B bond distances ranging from 2.62–2.90 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Gd–B bond distances ranging from 2.64–3.05 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.83 Å. In the second B site, B is bonded in a 8-coordinate geometry to six Gd and two B atoms. The B–B bond length is 1.66 Å. In the third B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms. There is one shorter (1.73 Å) and two longer (1.80 Å) B–B bond length. In the fourth B site, B is bonded in a 3-coordinate geometry to six Gd and three B atoms. There is one shorter (1.74 Å) and one longer (1.82 Å)more » B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-28366
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; Gd2B5; B-Gd
OSTI Identifier:
1202482
DOI:
https://doi.org/10.17188/1202482

Citation Formats

The Materials Project. Materials Data on Gd2B5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202482.
The Materials Project. Materials Data on Gd2B5 by Materials Project. United States. doi:https://doi.org/10.17188/1202482
The Materials Project. 2020. "Materials Data on Gd2B5 by Materials Project". United States. doi:https://doi.org/10.17188/1202482. https://www.osti.gov/servlets/purl/1202482. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202482,
title = {Materials Data on Gd2B5 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd2B5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Gd–B bond distances ranging from 2.62–2.90 Å. In the second Gd site, Gd is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Gd–B bond distances ranging from 2.64–3.05 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms. There are a spread of B–B bond distances ranging from 1.67–1.83 Å. In the second B site, B is bonded in a 8-coordinate geometry to six Gd and two B atoms. The B–B bond length is 1.66 Å. In the third B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms. There is one shorter (1.73 Å) and two longer (1.80 Å) B–B bond length. In the fourth B site, B is bonded in a 3-coordinate geometry to six Gd and three B atoms. There is one shorter (1.74 Å) and one longer (1.82 Å) B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Gd and five B atoms.},
doi = {10.17188/1202482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}