skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on SmZrF7 by Materials Project

Abstract

SmZrF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sm–F bond distances ranging from 2.24–2.46 Å. Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.06 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sm3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Sm3+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Zr4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Zr4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degreesmore » geometry to one Sm3+ and one Zr4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7305
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; SmZrF7; F-Sm-Zr
OSTI Identifier:
1287663
DOI:
10.17188/1287663

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmZrF7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287663.
Persson, Kristin, & Project, Materials. Materials Data on SmZrF7 by Materials Project. United States. doi:10.17188/1287663.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SmZrF7 by Materials Project". United States. doi:10.17188/1287663. https://www.osti.gov/servlets/purl/1287663. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1287663,
title = {Materials Data on SmZrF7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SmZrF7 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Sm–F bond distances ranging from 2.24–2.46 Å. Zr4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Zr–F bond distances ranging from 2.04–2.06 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Sm3+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Zr4+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to one Sm3+ and one Zr4+ atom. In the fourth F1- site, F1- is bonded in a linear geometry to one Sm3+ and one Zr4+ atom. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to one Sm3+ and one Zr4+ atom. In the sixth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Zr4+ atom. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one Sm3+ and one Zr4+ atom.},
doi = {10.17188/1287663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: