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Title: 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.

Publication Date:
Other Number(s):
mp-556472
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}