Materials Data on LiYF4 by Materials Project
Abstract
LiYF4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted tetrahedral geometry to four F1- atoms. There is two shorter (1.93 Å) and two longer (1.94 Å) Li–F bond length. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.27 Å) and four longer (2.33 Å) Y–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Y3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-556472
- 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; LiYF4; F-Li-Y
- OSTI Identifier:
- 1269367
- DOI:
- https://doi.org/10.17188/1269367
Citation Formats
The Materials Project. Materials Data on LiYF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1269367.
The Materials Project. Materials Data on LiYF4 by Materials Project. United States. doi:https://doi.org/10.17188/1269367
The Materials Project. 2020.
"Materials Data on LiYF4 by Materials Project". United States. doi:https://doi.org/10.17188/1269367. https://www.osti.gov/servlets/purl/1269367. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1269367,
title = {Materials Data on LiYF4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiYF4 is Zircon-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded in a distorted tetrahedral geometry to four F1- atoms. There is two shorter (1.93 Å) and two longer (1.94 Å) Li–F bond length. Y3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are four shorter (2.27 Å) and four longer (2.33 Å) Y–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Y3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Y3+ atoms.},
doi = {10.17188/1269367},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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