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Title: Materials Data on NbSiAs by Materials Project

Abstract

NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Nb–Si bond lengths are 2.68 Å. There are four shorter (2.71 Å) and one longer (2.85 Å) Nb–As bond lengths. Si4- is bonded to four equivalent Nb5+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiNb4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.

Publication Date:
Other Number(s):
mp-21907
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; NbSiAs; As-Nb-Si
OSTI Identifier:
1197245
DOI:
https://doi.org/10.17188/1197245

Citation Formats

The Materials Project. Materials Data on NbSiAs by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197245.
The Materials Project. Materials Data on NbSiAs by Materials Project. United States. doi:https://doi.org/10.17188/1197245
The Materials Project. 2020. "Materials Data on NbSiAs by Materials Project". United States. doi:https://doi.org/10.17188/1197245. https://www.osti.gov/servlets/purl/1197245. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1197245,
title = {Materials Data on NbSiAs by Materials Project},
author = {The Materials Project},
abstractNote = {NbSiAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nb5+ is bonded in a 9-coordinate geometry to four equivalent Si4- and five equivalent As1- atoms. All Nb–Si bond lengths are 2.68 Å. There are four shorter (2.71 Å) and one longer (2.85 Å) Nb–As bond lengths. Si4- is bonded to four equivalent Nb5+ and four equivalent Si4- atoms to form a mixture of distorted corner, edge, and face-sharing SiNb4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.49 Å. As1- is bonded in a 5-coordinate geometry to five equivalent Nb5+ atoms.},
doi = {10.17188/1197245},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}