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Title: Materials Data on Nb3Re3B4 by Materials Project

Abstract

Nb3Re3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 1-coordinate geometry to two equivalent Re and four B atoms. Both Nb–Re bond lengths are 2.71 Å. There are a spread of Nb–B bond distances ranging from 2.36–2.78 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six B atoms. There are two shorter (2.40 Å) and four longer (2.44 Å) Nb–B bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 8-coordinate geometry to four equivalent Nb and four equivalent B atoms. All Re–B bond lengths are 2.22 Å. In the second Re site, Re is bonded in a 6-coordinate geometry to six B atoms. There are a spread of Re–B bond distances ranging from 2.27–2.33 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Nb, four equivalent Re, and one B atom. The B–B bond length is 1.85 Å. In the second B site, B is bonded in a 9-coordinate geometry to four Nb,more » four equivalent Re, and one B atom. In the third B site, B is bonded in a 9-coordinate geometry to four Nb, four Re, and one B atom. The B–B bond length is 1.99 Å.« less

Publication Date:
Other Number(s):
mp-1220688
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; Nb3Re3B4; B-Nb-Re
OSTI Identifier:
1656413
DOI:
https://doi.org/10.17188/1656413

Citation Formats

The Materials Project. Materials Data on Nb3Re3B4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656413.
The Materials Project. Materials Data on Nb3Re3B4 by Materials Project. United States. doi:https://doi.org/10.17188/1656413
The Materials Project. 2020. "Materials Data on Nb3Re3B4 by Materials Project". United States. doi:https://doi.org/10.17188/1656413. https://www.osti.gov/servlets/purl/1656413. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1656413,
title = {Materials Data on Nb3Re3B4 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3Re3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 1-coordinate geometry to two equivalent Re and four B atoms. Both Nb–Re bond lengths are 2.71 Å. There are a spread of Nb–B bond distances ranging from 2.36–2.78 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to six B atoms. There are two shorter (2.40 Å) and four longer (2.44 Å) Nb–B bond lengths. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 8-coordinate geometry to four equivalent Nb and four equivalent B atoms. All Re–B bond lengths are 2.22 Å. In the second Re site, Re is bonded in a 6-coordinate geometry to six B atoms. There are a spread of Re–B bond distances ranging from 2.27–2.33 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to two equivalent Nb, four equivalent Re, and one B atom. The B–B bond length is 1.85 Å. In the second B site, B is bonded in a 9-coordinate geometry to four Nb, four equivalent Re, and one B atom. In the third B site, B is bonded in a 9-coordinate geometry to four Nb, four Re, and one B atom. The B–B bond length is 1.99 Å.},
doi = {10.17188/1656413},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}