DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zr2BN by Materials Project

Abstract

Zr2BN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr3+ is bonded to three equivalent B3- and three equivalent N3- atoms to form a mixture of edge and corner-sharing ZrB3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–B bond lengths are 2.40 Å. All Zr–N bond lengths are 2.36 Å. B3- is bonded to six equivalent Zr3+ atoms to form BZr6 octahedra that share corners with six equivalent NZr6 octahedra, edges with six equivalent BZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 2°. N3- is bonded to six equivalent Zr3+ atoms to form NZr6 octahedra that share corners with six equivalent BZr6 octahedra, edges with six equivalent BZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 2°.

Publication Date:
Other Number(s):
mp-1215435
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; Zr2BN; B-N-Zr
OSTI Identifier:
1672641
DOI:
https://doi.org/10.17188/1672641

Citation Formats

The Materials Project. Materials Data on Zr2BN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672641.
The Materials Project. Materials Data on Zr2BN by Materials Project. United States. doi:https://doi.org/10.17188/1672641
The Materials Project. 2020. "Materials Data on Zr2BN by Materials Project". United States. doi:https://doi.org/10.17188/1672641. https://www.osti.gov/servlets/purl/1672641. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1672641,
title = {Materials Data on Zr2BN by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2BN is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Zr3+ is bonded to three equivalent B3- and three equivalent N3- atoms to form a mixture of edge and corner-sharing ZrB3N3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–B bond lengths are 2.40 Å. All Zr–N bond lengths are 2.36 Å. B3- is bonded to six equivalent Zr3+ atoms to form BZr6 octahedra that share corners with six equivalent NZr6 octahedra, edges with six equivalent BZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 2°. N3- is bonded to six equivalent Zr3+ atoms to form NZr6 octahedra that share corners with six equivalent BZr6 octahedra, edges with six equivalent BZr6 octahedra, and edges with six equivalent NZr6 octahedra. The corner-sharing octahedral tilt angles are 2°.},
doi = {10.17188/1672641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}