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Title: Materials Data on KSmF4 by Materials Project

Abstract

KSmF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.63–2.77 Å. Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.28–2.50 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 to two equivalent K1+ and two equivalent Sm3+ atoms to form distorted FK2Sm2 tetrahedra that share corners with ten FK2Sm2 tetrahedra and an edgeedge with one FKSm3 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm3+ atoms. In the fourth F1- site, F1- is bonded to one K1+ and three equivalent Sm3+ atoms to form FKSm3 tetrahedra that share corners with eight FK2Sm2 tetrahedra and edges with three FKSm3 tetrahedra.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1192639
Report Number(s):
mp-17697
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; KSmF4; F-K-Sm

Citation Formats

The Materials Project. Materials Data on KSmF4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192639.
The Materials Project. Materials Data on KSmF4 by Materials Project. United States. https://doi.org/10.17188/1192639
The Materials Project. 2020. "Materials Data on KSmF4 by Materials Project". United States. https://doi.org/10.17188/1192639. https://www.osti.gov/servlets/purl/1192639.
@article{osti_1192639,
title = {Materials Data on KSmF4 by Materials Project},
author = {The Materials Project},
abstractNote = {KSmF4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of K–F bond distances ranging from 2.63–2.77 Å. Sm3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Sm–F bond distances ranging from 2.28–2.50 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 to two equivalent K1+ and two equivalent Sm3+ atoms to form distorted FK2Sm2 tetrahedra that share corners with ten FK2Sm2 tetrahedra and an edgeedge with one FKSm3 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Sm3+ atoms. In the fourth F1- site, F1- is bonded to one K1+ and three equivalent Sm3+ atoms to form FKSm3 tetrahedra that share corners with eight FK2Sm2 tetrahedra and edges with three FKSm3 tetrahedra.},
doi = {10.17188/1192639},
url = {https://www.osti.gov/biblio/1192639}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}