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Title: Materials Data on Nb3B4W3 by Materials Project

Abstract

Nb3W3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a square co-planar geometry to four B3- atoms. There are a spread of Nb–B bond distances ranging from 2.47–2.52 Å. In the second Nb2+ site, Nb2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.44 Å) and two longer (2.50 Å) Nb–B bond lengths. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.41 Å) and two longer (2.49 Å) W–B bond lengths. In the second W2+ site, W2+ is bonded in a hexagonal planar geometry to six B3- atoms. There are four shorter (2.39 Å) and two longer (2.47 Å) W–B bond lengths. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Nb2+, six W2+, and one B3- atom. The B–B bond length is 1.90 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four Nb2+, four equivalentmore » W2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four Nb2+, four W2+, and one B3- atom. The B–B bond length is 1.95 Å.« less

Publication Date:
Other Number(s):
mp-1220641
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; Nb3B4W3; B-Nb-W
OSTI Identifier:
1676997
DOI:
https://doi.org/10.17188/1676997

Citation Formats

The Materials Project. Materials Data on Nb3B4W3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676997.
The Materials Project. Materials Data on Nb3B4W3 by Materials Project. United States. doi:https://doi.org/10.17188/1676997
The Materials Project. 2020. "Materials Data on Nb3B4W3 by Materials Project". United States. doi:https://doi.org/10.17188/1676997. https://www.osti.gov/servlets/purl/1676997. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1676997,
title = {Materials Data on Nb3B4W3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb3W3B4 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Nb2+ sites. In the first Nb2+ site, Nb2+ is bonded in a square co-planar geometry to four B3- atoms. There are a spread of Nb–B bond distances ranging from 2.47–2.52 Å. In the second Nb2+ site, Nb2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.44 Å) and two longer (2.50 Å) Nb–B bond lengths. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a distorted hexagonal planar geometry to six B3- atoms. There are four shorter (2.41 Å) and two longer (2.49 Å) W–B bond lengths. In the second W2+ site, W2+ is bonded in a hexagonal planar geometry to six B3- atoms. There are four shorter (2.39 Å) and two longer (2.47 Å) W–B bond lengths. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Nb2+, six W2+, and one B3- atom. The B–B bond length is 1.90 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to four Nb2+, four equivalent W2+, and one B3- atom. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four Nb2+, four W2+, and one B3- atom. The B–B bond length is 1.95 Å.},
doi = {10.17188/1676997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}