Materials Data on ZrSiS by Materials Project
Abstract
ZrSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one ZrSi sheet oriented in the (0, 0, 1) direction. In the ZrSi sheet, Zr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded to four equivalent Zr2+ and four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.51 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-3938
- 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; ZrSiS; S-Si-Zr
- OSTI Identifier:
- 1207647
- DOI:
- https://doi.org/10.17188/1207647
Citation Formats
The Materials Project. Materials Data on ZrSiS by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1207647.
The Materials Project. Materials Data on ZrSiS by Materials Project. United States. doi:https://doi.org/10.17188/1207647
The Materials Project. 2020.
"Materials Data on ZrSiS by Materials Project". United States. doi:https://doi.org/10.17188/1207647. https://www.osti.gov/servlets/purl/1207647. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1207647,
title = {Materials Data on ZrSiS by Materials Project},
author = {The Materials Project},
abstractNote = {ZrSiS is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of two hydrogen sulfide molecules and one ZrSi sheet oriented in the (0, 0, 1) direction. In the ZrSi sheet, Zr2+ is bonded in a 4-coordinate geometry to four equivalent Si4- atoms. All Zr–Si bond lengths are 2.82 Å. Si4- is bonded to four equivalent Zr2+ and four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing SiZr4Si4 hexagonal bipyramids. All Si–Si bond lengths are 2.51 Å.},
doi = {10.17188/1207647},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
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