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Title: Materials Data on YbBeF4 by Materials Project

Abstract

BeYbF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.50–1.65 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.63 Å. There are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Yb–F bond distances ranging from 2.20–2.45 Å. In the second Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Yb–F bond distances ranging from 2.18–2.38 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Yb2+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ and one Yb2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanarmore » geometry to three Yb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Yb2+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1178795
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; YbBeF4; Be-F-Yb
OSTI Identifier:
1681638
DOI:
https://doi.org/10.17188/1681638

Citation Formats

The Materials Project. Materials Data on YbBeF4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1681638.
The Materials Project. Materials Data on YbBeF4 by Materials Project. United States. doi:https://doi.org/10.17188/1681638
The Materials Project. 2019. "Materials Data on YbBeF4 by Materials Project". United States. doi:https://doi.org/10.17188/1681638. https://www.osti.gov/servlets/purl/1681638. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1681638,
title = {Materials Data on YbBeF4 by Materials Project},
author = {The Materials Project},
abstractNote = {BeYbF4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Be2+ sites. In the first Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.50–1.65 Å. In the second Be2+ site, Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.53–1.63 Å. There are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Yb–F bond distances ranging from 2.20–2.45 Å. In the second Yb2+ site, Yb2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Yb–F bond distances ranging from 2.18–2.38 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and two equivalent Yb2+ atoms. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Be2+ and one Yb2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the sixth F1- site, F1- is bonded in a bent 120 degrees geometry to two Be2+ atoms. In the seventh F1- site, F1- is bonded in a distorted single-bond geometry to one Be2+ and one Yb2+ atom. In the eighth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three Yb2+ atoms.},
doi = {10.17188/1681638},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}