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Title: Materials Data on Li2Be2H4NF7 by Materials Project

Abstract

Li2Be2F7NH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonium molecules and one Li2Be2F7 framework. In the Li2Be2F7 framework, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with two equivalent LiF4 tetrahedra and corners with four equivalent BeF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.87–1.89 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share a cornercorner with one BeF4 tetrahedra and corners with four equivalent LiF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Be2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1197133
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; Li2Be2H4NF7; Be-F-H-Li-N
OSTI Identifier:
1654147
DOI:
https://doi.org/10.17188/1654147

Citation Formats

The Materials Project. Materials Data on Li2Be2H4NF7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1654147.
The Materials Project. Materials Data on Li2Be2H4NF7 by Materials Project. United States. doi:https://doi.org/10.17188/1654147
The Materials Project. 2019. "Materials Data on Li2Be2H4NF7 by Materials Project". United States. doi:https://doi.org/10.17188/1654147. https://www.osti.gov/servlets/purl/1654147. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1654147,
title = {Materials Data on Li2Be2H4NF7 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Be2F7NH4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four ammonium molecules and one Li2Be2F7 framework. In the Li2Be2F7 framework, Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with two equivalent LiF4 tetrahedra and corners with four equivalent BeF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.87–1.89 Å. Be2+ is bonded to four F1- atoms to form BeF4 tetrahedra that share a cornercorner with one BeF4 tetrahedra and corners with four equivalent LiF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.55–1.60 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a bent 120 degrees geometry to one Li1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Be2+ atoms.},
doi = {10.17188/1654147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}