Materials Data on ZrTiAs by Materials Project
Abstract
AsTiZr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to five equivalent As atoms. There are four shorter (2.79 Å) and one longer (2.87 Å) Zr–As bond lengths. Ti is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Ti–As bond lengths are 2.70 Å. As is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Ti atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30147
- 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; ZrTiAs; As-Ti-Zr
- OSTI Identifier:
- 1204563
- DOI:
- https://doi.org/10.17188/1204563
Citation Formats
The Materials Project. Materials Data on ZrTiAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204563.
The Materials Project. Materials Data on ZrTiAs by Materials Project. United States. doi:https://doi.org/10.17188/1204563
The Materials Project. 2020.
"Materials Data on ZrTiAs by Materials Project". United States. doi:https://doi.org/10.17188/1204563. https://www.osti.gov/servlets/purl/1204563. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204563,
title = {Materials Data on ZrTiAs by Materials Project},
author = {The Materials Project},
abstractNote = {AsTiZr crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Zr is bonded in a 5-coordinate geometry to five equivalent As atoms. There are four shorter (2.79 Å) and one longer (2.87 Å) Zr–As bond lengths. Ti is bonded in a distorted square co-planar geometry to four equivalent As atoms. All Ti–As bond lengths are 2.70 Å. As is bonded in a 9-coordinate geometry to five equivalent Zr and four equivalent Ti atoms.},
doi = {10.17188/1204563},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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