Materials Data on K3Zr by Materials Project
Abstract
K3Zr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Zr atoms to form a mixture of distorted edge, corner, and face-sharing KK4Zr4 tetrahedra. All K–K bond lengths are 4.04 Å. All K–Zr bond lengths are 4.04 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Zr is bonded in a body-centered cubic geometry to eight equivalent K atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-973265
- 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; K3Zr; K-Zr
- OSTI Identifier:
- 1314058
- DOI:
- https://doi.org/10.17188/1314058
Citation Formats
The Materials Project. Materials Data on K3Zr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314058.
The Materials Project. Materials Data on K3Zr by Materials Project. United States. doi:https://doi.org/10.17188/1314058
The Materials Project. 2020.
"Materials Data on K3Zr by Materials Project". United States. doi:https://doi.org/10.17188/1314058. https://www.osti.gov/servlets/purl/1314058. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1314058,
title = {Materials Data on K3Zr by Materials Project},
author = {The Materials Project},
abstractNote = {K3Zr is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Zr atoms to form a mixture of distorted edge, corner, and face-sharing KK4Zr4 tetrahedra. All K–K bond lengths are 4.04 Å. All K–Zr bond lengths are 4.04 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Zr is bonded in a body-centered cubic geometry to eight equivalent K atoms.},
doi = {10.17188/1314058},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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