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

Title: Materials Data on Fe5Si2B by Materials Project

Abstract

Fe5BSi2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Fe+2.20+ sites. In the first Fe+2.20+ site, Fe+2.20+ is bonded in a 6-coordinate geometry to two equivalent B3- and four equivalent Si4- atoms. Both Fe–B bond lengths are 2.21 Å. There are a spread of Fe–Si bond distances ranging from 2.30–2.60 Å. In the second Fe+2.20+ site, Fe+2.20+ is bonded in a distorted hexagonal planar geometry to two equivalent Fe+2.20+ and four equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.21 Å. All Fe–Si bond lengths are 2.33 Å. B3- is bonded in a 10-coordinate geometry to eight equivalent Fe+2.20+ and two equivalent B3- atoms. Both B–B bond lengths are 2.21 Å. Si4- is bonded in a 10-coordinate geometry to ten Fe+2.20+ atoms.

Publication Date:
Other Number(s):
mp-1188610
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; Fe5Si2B; B-Fe-Si
OSTI Identifier:
1655486
DOI:
https://doi.org/10.17188/1655486

Citation Formats

The Materials Project. Materials Data on Fe5Si2B by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1655486.
The Materials Project. Materials Data on Fe5Si2B by Materials Project. United States. doi:https://doi.org/10.17188/1655486
The Materials Project. 2019. "Materials Data on Fe5Si2B by Materials Project". United States. doi:https://doi.org/10.17188/1655486. https://www.osti.gov/servlets/purl/1655486. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1655486,
title = {Materials Data on Fe5Si2B by Materials Project},
author = {The Materials Project},
abstractNote = {Fe5BSi2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Fe+2.20+ sites. In the first Fe+2.20+ site, Fe+2.20+ is bonded in a 6-coordinate geometry to two equivalent B3- and four equivalent Si4- atoms. Both Fe–B bond lengths are 2.21 Å. There are a spread of Fe–Si bond distances ranging from 2.30–2.60 Å. In the second Fe+2.20+ site, Fe+2.20+ is bonded in a distorted hexagonal planar geometry to two equivalent Fe+2.20+ and four equivalent Si4- atoms. Both Fe–Fe bond lengths are 2.21 Å. All Fe–Si bond lengths are 2.33 Å. B3- is bonded in a 10-coordinate geometry to eight equivalent Fe+2.20+ and two equivalent B3- atoms. Both B–B bond lengths are 2.21 Å. Si4- is bonded in a 10-coordinate geometry to ten Fe+2.20+ atoms.},
doi = {10.17188/1655486},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}