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Title: Materials Data on K2SmF5 by Materials Project

Abstract

K2SmF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.94 Å. Sm3+ is bonded to seven F1- atoms to form distorted edge-sharing SmF7 pentagonal bipyramids. There are a spread of Sm–F bond distances ranging from 2.26–2.35 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sm3+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom.

Authors:
Publication Date:
Other Number(s):
mp-17434
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; K2SmF5; F-K-Sm
OSTI Identifier:
1192504
DOI:
https://doi.org/10.17188/1192504

Citation Formats

The Materials Project. Materials Data on K2SmF5 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1192504.
The Materials Project. Materials Data on K2SmF5 by Materials Project. United States. doi:https://doi.org/10.17188/1192504
The Materials Project. 2017. "Materials Data on K2SmF5 by Materials Project". United States. doi:https://doi.org/10.17188/1192504. https://www.osti.gov/servlets/purl/1192504. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1192504,
title = {Materials Data on K2SmF5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2SmF5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.70–2.94 Å. Sm3+ is bonded to seven F1- atoms to form distorted edge-sharing SmF7 pentagonal bipyramids. There are a spread of Sm–F bond distances ranging from 2.26–2.35 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom. In the third F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Sm3+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Sm3+ atom.},
doi = {10.17188/1192504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}