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Title: Materials Data on K2NdF5 by Materials Project

Abstract

K2NdF5 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 2.71–2.94 Å. Nd3+ is bonded to seven F1- atoms to form distorted edge-sharing NdF7 pentagonal bipyramids. There are a spread of Nd–F bond distances ranging from 2.29–2.38 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 Nd3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Nd3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Nd3+ atom. In the fourth F1- site, F1- is bonded to two equivalent K1+ and two equivalent Nd3+ atoms to form a mixture of distorted corner and edge-sharing FK2Nd2 tetrahedra.

Publication Date:
Other Number(s):
mp-1211860
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; K2NdF5; F-K-Nd
OSTI Identifier:
1679620
DOI:
https://doi.org/10.17188/1679620

Citation Formats

The Materials Project. Materials Data on K2NdF5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679620.
The Materials Project. Materials Data on K2NdF5 by Materials Project. United States. doi:https://doi.org/10.17188/1679620
The Materials Project. 2020. "Materials Data on K2NdF5 by Materials Project". United States. doi:https://doi.org/10.17188/1679620. https://www.osti.gov/servlets/purl/1679620. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1679620,
title = {Materials Data on K2NdF5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2NdF5 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 2.71–2.94 Å. Nd3+ is bonded to seven F1- atoms to form distorted edge-sharing NdF7 pentagonal bipyramids. There are a spread of Nd–F bond distances ranging from 2.29–2.38 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 Nd3+ atom. In the second F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Nd3+ atom. In the third F1- site, F1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Nd3+ atom. In the fourth F1- site, F1- is bonded to two equivalent K1+ and two equivalent Nd3+ atoms to form a mixture of distorted corner and edge-sharing FK2Nd2 tetrahedra.},
doi = {10.17188/1679620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}