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Title: Materials Data on Fe(BO)6 by Materials Project

Abstract

FeB6O6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one FeB6O6 sheet oriented in the (0, 0, 1) direction. Fe is bonded in a hexagonal bipyramidal geometry to four equivalent B and four equivalent O atoms. All Fe–B bond lengths are 2.12 Å. All Fe–O bond lengths are 2.32 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.45 Å) B–O bond length. In the second B site, B is bonded in a distorted bent 120 degrees geometry to one Fe and two O atoms. There is one shorter (1.50 Å) and one longer (1.55 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Fe and two B atoms. In the second O site, O is bonded in a 3-coordinate geometry to three B atoms.

Authors:
Publication Date:
Other Number(s):
mp-1213438
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Fe(BO)6; B-Fe-O
OSTI Identifier:
1719707
DOI:
https://doi.org/10.17188/1719707

Citation Formats

The Materials Project. Materials Data on Fe(BO)6 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1719707.
The Materials Project. Materials Data on Fe(BO)6 by Materials Project. United States. doi:https://doi.org/10.17188/1719707
The Materials Project. 2019. "Materials Data on Fe(BO)6 by Materials Project". United States. doi:https://doi.org/10.17188/1719707. https://www.osti.gov/servlets/purl/1719707. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1719707,
title = {Materials Data on Fe(BO)6 by Materials Project},
author = {The Materials Project},
abstractNote = {FeB6O6 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one FeB6O6 sheet oriented in the (0, 0, 1) direction. Fe is bonded in a hexagonal bipyramidal geometry to four equivalent B and four equivalent O atoms. All Fe–B bond lengths are 2.12 Å. All Fe–O bond lengths are 2.32 Å. There are two inequivalent B sites. In the first B site, B is bonded in a trigonal planar geometry to three O atoms. There is two shorter (1.36 Å) and one longer (1.45 Å) B–O bond length. In the second B site, B is bonded in a distorted bent 120 degrees geometry to one Fe and two O atoms. There is one shorter (1.50 Å) and one longer (1.55 Å) B–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Fe and two B atoms. In the second O site, O is bonded in a 3-coordinate geometry to three B atoms.},
doi = {10.17188/1719707},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}