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

Title: Materials Data on Fe3NF9 by Materials Project

Abstract

(FeF3)6N2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional and consists of two ammonia molecules and one FeF3 framework. In the FeF3 framework, Fe+2.67+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There is two shorter (1.95 Å) and four longer (1.96 Å) Fe–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe+2.67+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe+2.67+ atoms.

Publication Date:
Other Number(s):
mp-1212814
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; Fe3NF9; F-Fe-N
OSTI Identifier:
1680513
DOI:
https://doi.org/10.17188/1680513

Citation Formats

The Materials Project. Materials Data on Fe3NF9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680513.
The Materials Project. Materials Data on Fe3NF9 by Materials Project. United States. doi:https://doi.org/10.17188/1680513
The Materials Project. 2020. "Materials Data on Fe3NF9 by Materials Project". United States. doi:https://doi.org/10.17188/1680513. https://www.osti.gov/servlets/purl/1680513. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1680513,
title = {Materials Data on Fe3NF9 by Materials Project},
author = {The Materials Project},
abstractNote = {(FeF3)6N2 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional and consists of two ammonia molecules and one FeF3 framework. In the FeF3 framework, Fe+2.67+ is bonded to six F1- atoms to form corner-sharing FeF6 octahedra. The corner-sharing octahedra tilt angles range from 0–32°. There is two shorter (1.95 Å) and four longer (1.96 Å) Fe–F bond length. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Fe+2.67+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Fe+2.67+ atoms.},
doi = {10.17188/1680513},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}