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Title: Materials Data on Fe3Ni3B2 by Materials Project

Abstract

Fe3Ni3B2 is Cementite-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.09–2.24 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 2.06–2.24 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.08 Å) and one longer (2.29 Å) Fe–B bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.30 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent B atoms. There are one shorter (2.02 Å) and one longer (2.03 Å) Ni–B bond lengths. There are twomore » inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four Fe and four Ni atoms. In the second B site, B is bonded in a 8-coordinate geometry to five Fe and three Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1224887
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; Fe3Ni3B2; B-Fe-Ni
OSTI Identifier:
1683753
DOI:
https://doi.org/10.17188/1683753

Citation Formats

The Materials Project. Materials Data on Fe3Ni3B2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683753.
The Materials Project. Materials Data on Fe3Ni3B2 by Materials Project. United States. doi:https://doi.org/10.17188/1683753
The Materials Project. 2020. "Materials Data on Fe3Ni3B2 by Materials Project". United States. doi:https://doi.org/10.17188/1683753. https://www.osti.gov/servlets/purl/1683753. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683753,
title = {Materials Data on Fe3Ni3B2 by Materials Project},
author = {The Materials Project},
abstractNote = {Fe3Ni3B2 is Cementite-derived structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three B atoms. There are a spread of Fe–B bond distances ranging from 2.09–2.24 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 2.06–2.24 Å. In the third Fe site, Fe is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.08 Å) and one longer (2.29 Å) Fe–B bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to three B atoms. There are a spread of Ni–B bond distances ranging from 2.05–2.30 Å. In the second Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent B atoms. Both Ni–B bond lengths are 2.04 Å. In the third Ni site, Ni is bonded in a 2-coordinate geometry to two equivalent B atoms. There are one shorter (2.02 Å) and one longer (2.03 Å) Ni–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to four Fe and four Ni atoms. In the second B site, B is bonded in a 8-coordinate geometry to five Fe and three Ni atoms.},
doi = {10.17188/1683753},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}