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Title: Materials Data on ErZrF7 by Materials Project

Abstract

ErZrF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.17–2.35 Å. Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.03–2.06 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Er3+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Er3+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Er3+ and one Zr4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Zr4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometrymore » to one Er3+ and one Zr4+ atom.« less

Publication Date:
Other Number(s):
mp-1212965
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; ErZrF7; Er-F-Zr
OSTI Identifier:
1652514
DOI:
https://doi.org/10.17188/1652514

Citation Formats

The Materials Project. Materials Data on ErZrF7 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1652514.
The Materials Project. Materials Data on ErZrF7 by Materials Project. United States. doi:https://doi.org/10.17188/1652514
The Materials Project. 2019. "Materials Data on ErZrF7 by Materials Project". United States. doi:https://doi.org/10.17188/1652514. https://www.osti.gov/servlets/purl/1652514. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1652514,
title = {Materials Data on ErZrF7 by Materials Project},
author = {The Materials Project},
abstractNote = {ErZrF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Er–F bond distances ranging from 2.17–2.35 Å. Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.03–2.06 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Er3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Er3+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Er3+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a distorted linear geometry to one Er3+ and one Zr4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Er3+ and one Zr4+ atom. In the seventh F1- site, F1- is bonded in a bent 150 degrees geometry to one Er3+ and one Zr4+ atom.},
doi = {10.17188/1652514},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}