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Title: Materials Data on Fe9B4Ir3 by Materials Project

Abstract

Fe9Ir3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.07–2.44 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.42 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.36 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.37 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.14–2.58 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ir–B bond distances ranging from 2.14–2.59 Å. In the second Ir site, Ir is bondedmore » in a 2-coordinate geometry to three B atoms. There are a spread of Ir–B bond distances ranging from 2.17–2.55 Å. In the third Ir site, Ir is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ir–B bond distances ranging from 2.14–2.57 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to seven Fe and two equivalent Ir atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Fe and one Ir atom. In the third B site, B is bonded in a 9-coordinate geometry to six Fe and three Ir atoms. In the fourth B site, B is bonded in a 9-coordinate geometry to six Fe and three Ir atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1225266
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; Fe9B4Ir3; B-Fe-Ir
OSTI Identifier:
1738018
DOI:
https://doi.org/10.17188/1738018

Citation Formats

The Materials Project. Materials Data on Fe9B4Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738018.
The Materials Project. Materials Data on Fe9B4Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1738018
The Materials Project. 2020. "Materials Data on Fe9B4Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1738018. https://www.osti.gov/servlets/purl/1738018. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1738018,
title = {Materials Data on Fe9B4Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe9Ir3B4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.07–2.44 Å. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.42 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.36 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.11–2.37 Å. In the fifth Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.14–2.58 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ir–B bond distances ranging from 2.14–2.59 Å. In the second Ir site, Ir is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ir–B bond distances ranging from 2.17–2.55 Å. In the third Ir site, Ir is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ir–B bond distances ranging from 2.14–2.57 Å. There are four inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to seven Fe and two equivalent Ir atoms. In the second B site, B is bonded in a 9-coordinate geometry to eight Fe and one Ir atom. In the third B site, B is bonded in a 9-coordinate geometry to six Fe and three Ir atoms. In the fourth B site, B is bonded in a 9-coordinate geometry to six Fe and three Ir atoms.},
doi = {10.17188/1738018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}