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Title: Materials Data on NbZn2 by Materials Project

Abstract

NbZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are seven inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. There are one shorter (3.06 Å) and three longer (3.12 Å) Nb–Nb bond lengths. There are a spread of Nb–Zn bond distances ranging from 2.95–2.97 Å. In the second Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. There are one shorter (3.06 Å) and three longer (3.12 Å) Nb–Nb bond lengths. There are a spread of Nb–Zn bond distances ranging from 2.95–2.97 Å. In the third Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. All Nb–Nb bond lengths are 3.12 Å. There are a spread of Nb–Zn bond distances ranging from 2.95–2.97 Å. In the fourth Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. The Nb–Nb bond length is 2.97 Å. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. In the fifth Nb site, Nb is bonded in a 12-coordinatemore » geometry to four Nb and twelve Zn atoms. The Nb–Nb bond length is 2.97 Å. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. In the sixth Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. In the seventh Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. All Nb–Nb bond lengths are 3.12 Å. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to six Nb and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnNb6Zn6 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.44–2.63 Å. In the second Zn site, Zn is bonded to six Nb and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnNb6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.54 Å. In the third Zn site, Zn is bonded to six Nb and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnNb6Zn6 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-30798
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; NbZn2; Nb-Zn
OSTI Identifier:
1205159
DOI:
10.17188/1205159

Citation Formats

The Materials Project. Materials Data on NbZn2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205159.
The Materials Project. Materials Data on NbZn2 by Materials Project. United States. doi:10.17188/1205159.
The Materials Project. 2020. "Materials Data on NbZn2 by Materials Project". United States. doi:10.17188/1205159. https://www.osti.gov/servlets/purl/1205159. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1205159,
title = {Materials Data on NbZn2 by Materials Project},
author = {The Materials Project},
abstractNote = {NbZn2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are seven inequivalent Nb sites. In the first Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. There are one shorter (3.06 Å) and three longer (3.12 Å) Nb–Nb bond lengths. There are a spread of Nb–Zn bond distances ranging from 2.95–2.97 Å. In the second Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. There are one shorter (3.06 Å) and three longer (3.12 Å) Nb–Nb bond lengths. There are a spread of Nb–Zn bond distances ranging from 2.95–2.97 Å. In the third Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. All Nb–Nb bond lengths are 3.12 Å. There are a spread of Nb–Zn bond distances ranging from 2.95–2.97 Å. In the fourth Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. The Nb–Nb bond length is 2.97 Å. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. In the fifth Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. The Nb–Nb bond length is 2.97 Å. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. In the sixth Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. In the seventh Nb site, Nb is bonded in a 12-coordinate geometry to four Nb and twelve Zn atoms. All Nb–Nb bond lengths are 3.12 Å. There are a spread of Nb–Zn bond distances ranging from 2.94–2.99 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded to six Nb and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnNb6Zn6 cuboctahedra. There are a spread of Zn–Zn bond distances ranging from 2.44–2.63 Å. In the second Zn site, Zn is bonded to six Nb and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnNb6Zn6 cuboctahedra. All Zn–Zn bond lengths are 2.54 Å. In the third Zn site, Zn is bonded to six Nb and six Zn atoms to form a mixture of corner, edge, and face-sharing ZnNb6Zn6 cuboctahedra.},
doi = {10.17188/1205159},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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