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

Title: Materials Data on Fe23B6 by Materials Project

Abstract

Fe23B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to twelve equivalent Fe atoms. All Fe–Fe bond lengths are 2.57 Å. In the second Fe site, Fe is bonded in a distorted tetrahedral geometry to four equivalent Fe atoms. All Fe–Fe bond lengths are 2.41 Å. In the third Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent B atoms. Both Fe–B bond lengths are 2.13 Å. In the fourth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to one Fe and three equivalent B atoms. All Fe–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Fe atoms.

Publication Date:
Other Number(s):
mp-542758
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; Fe23B6; B-Fe
OSTI Identifier:
1266664
DOI:
10.17188/1266664

Citation Formats

The Materials Project. Materials Data on Fe23B6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266664.
The Materials Project. Materials Data on Fe23B6 by Materials Project. United States. doi:10.17188/1266664.
The Materials Project. 2020. "Materials Data on Fe23B6 by Materials Project". United States. doi:10.17188/1266664. https://www.osti.gov/servlets/purl/1266664. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1266664,
title = {Materials Data on Fe23B6 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe23B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a cuboctahedral geometry to twelve equivalent Fe atoms. All Fe–Fe bond lengths are 2.57 Å. In the second Fe site, Fe is bonded in a distorted tetrahedral geometry to four equivalent Fe atoms. All Fe–Fe bond lengths are 2.41 Å. In the third Fe site, Fe is bonded in a distorted bent 150 degrees geometry to one Fe and two equivalent B atoms. Both Fe–B bond lengths are 2.13 Å. In the fourth Fe site, Fe is bonded in a distorted trigonal non-coplanar geometry to one Fe and three equivalent B atoms. All Fe–B bond lengths are 2.10 Å. B is bonded in a 8-coordinate geometry to eight Fe atoms.},
doi = {10.17188/1266664},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

Dataset:

Save / Share: