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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-10200
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- 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}
}
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