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Title: Materials Data on ZrBeSi by Materials Project

Abstract

ZrBeSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Be–Si bond lengths are 2.16 Å. Zr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing ZrSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded in a distorted trigonal planar geometry to three equivalent Be2+ and six equivalent Zr2+ atoms.

Publication Date:
Other Number(s):
mp-10200
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; ZrBeSi; Be-Si-Zr
OSTI Identifier:
1186811
DOI:
https://doi.org/10.17188/1186811

Citation Formats

The Materials Project. Materials Data on ZrBeSi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186811.
The Materials Project. Materials Data on ZrBeSi by Materials Project. United States. doi:https://doi.org/10.17188/1186811
The Materials Project. 2020. "Materials Data on ZrBeSi by Materials Project". United States. doi:https://doi.org/10.17188/1186811. https://www.osti.gov/servlets/purl/1186811. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1186811,
title = {Materials Data on ZrBeSi by Materials Project},
author = {The Materials Project},
abstractNote = {ZrBeSi crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Be2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Be–Si bond lengths are 2.16 Å. Zr2+ is bonded to six equivalent Si4- atoms to form a mixture of corner, edge, and face-sharing ZrSi6 octahedra. The corner-sharing octahedral tilt angles are 45°. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded in a distorted trigonal planar geometry to three equivalent Be2+ and six equivalent Zr2+ atoms.},
doi = {10.17188/1186811},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}