skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2LiBe2F7 by Materials Project

Abstract

Na2LiBe2F7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.38–2.70 Å. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent BeF4 tetrahedra. All Li–F bond lengths are 1.87 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share a cornercorner with one BeF4 tetrahedra and corners with two equivalent LiF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Li1+, and one Be2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Be2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one Be2+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1188663
Report Number(s):
mp-12240
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Na2LiBe2F7; Be-F-Li-Na

Citation Formats

The Materials Project. Materials Data on Na2LiBe2F7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1188663.
The Materials Project. Materials Data on Na2LiBe2F7 by Materials Project. United States. https://doi.org/10.17188/1188663
The Materials Project. 2020. "Materials Data on Na2LiBe2F7 by Materials Project". United States. https://doi.org/10.17188/1188663. https://www.osti.gov/servlets/purl/1188663.
@article{osti_1188663,
title = {Materials Data on Na2LiBe2F7 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2LiBe2F7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.38–2.70 Å. Li1+ is bonded to four equivalent F1- atoms to form LiF4 tetrahedra that share corners with four equivalent BeF4 tetrahedra. All Li–F bond lengths are 1.87 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share a cornercorner with one BeF4 tetrahedra and corners with two equivalent LiF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.62 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+, one Li1+, and one Be2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to two equivalent Na1+ and two equivalent Be2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent Na1+ and one Be2+ atom.},
doi = {10.17188/1188663},
url = {https://www.osti.gov/biblio/1188663}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}