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Title: Materials Data on ZrB by Materials Project

Abstract

ZrB is Caswellsilverite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.42 Å. In the second Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.51 Å. B3- is bonded to six Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°.

Publication Date:
Other Number(s):
mp-1014138
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; ZrB; B-Zr
OSTI Identifier:
1330930
DOI:
10.17188/1330930

Citation Formats

The Materials Project. Materials Data on ZrB by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1330930.
The Materials Project. Materials Data on ZrB by Materials Project. United States. doi:10.17188/1330930.
The Materials Project. 2020. "Materials Data on ZrB by Materials Project". United States. doi:10.17188/1330930. https://www.osti.gov/servlets/purl/1330930. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1330930,
title = {Materials Data on ZrB by Materials Project},
author = {The Materials Project},
abstractNote = {ZrB is Caswellsilverite-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Zr3+ sites. In the first Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.42 Å. In the second Zr3+ site, Zr3+ is bonded in a 6-coordinate geometry to six equivalent B3- atoms. All Zr–B bond lengths are 2.51 Å. B3- is bonded to six Zr3+ atoms to form a mixture of corner, edge, and face-sharing BZr6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°.},
doi = {10.17188/1330930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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