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Title: Materials Data on Ho2(Fe3Si)3 by Materials Project

Abstract

Ho2(Fe3Si)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to fourteen Fe and four Si atoms. There are a spread of Ho–Fe bond distances ranging from 2.86–3.24 Å. There are two shorter (2.81 Å) and two longer (2.95 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to thirteen Fe and five Si atoms. There are a spread of Ho–Fe bond distances ranging from 2.80–3.23 Å. There are one shorter (2.87 Å) and four longer (2.88 Å) Ho–Si bond lengths. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, six Fe, and three Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.61 Å. All Fe–Si bond lengths are 2.40 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, seven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.65 Å. Both Fe–Si bond lengths are 2.38 Å. In the third Fe site,more » Fe is bonded in a 12-coordinate geometry to three Ho, five Fe, and three Si atoms. The Fe–Fe bond length is 2.48 Å. There are one shorter (2.35 Å) and two longer (2.40 Å) Fe–Si bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, eight Fe, and one Si atom. There are two shorter (2.39 Å) and one longer (2.54 Å) Fe–Fe bond lengths. The Fe–Si bond length is 2.33 Å. In the fifth Fe site, Fe is bonded in a 9-coordinate geometry to three Ho and six Fe atoms. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three Ho and six Fe atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three Ho and six Fe atoms.« less

Publication Date:
Other Number(s):
mp-1224041
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; Ho2(Fe3Si)3; Fe-Ho-Si
OSTI Identifier:
1722393
DOI:
https://doi.org/10.17188/1722393

Citation Formats

The Materials Project. Materials Data on Ho2(Fe3Si)3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722393.
The Materials Project. Materials Data on Ho2(Fe3Si)3 by Materials Project. United States. doi:https://doi.org/10.17188/1722393
The Materials Project. 2020. "Materials Data on Ho2(Fe3Si)3 by Materials Project". United States. doi:https://doi.org/10.17188/1722393. https://www.osti.gov/servlets/purl/1722393. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1722393,
title = {Materials Data on Ho2(Fe3Si)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ho2(Fe3Si)3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 6-coordinate geometry to fourteen Fe and four Si atoms. There are a spread of Ho–Fe bond distances ranging from 2.86–3.24 Å. There are two shorter (2.81 Å) and two longer (2.95 Å) Ho–Si bond lengths. In the second Ho site, Ho is bonded in a 6-coordinate geometry to thirteen Fe and five Si atoms. There are a spread of Ho–Fe bond distances ranging from 2.80–3.23 Å. There are one shorter (2.87 Å) and four longer (2.88 Å) Ho–Si bond lengths. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, six Fe, and three Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.46–2.61 Å. All Fe–Si bond lengths are 2.40 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, seven Fe, and two equivalent Si atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.65 Å. Both Fe–Si bond lengths are 2.38 Å. In the third Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, five Fe, and three Si atoms. The Fe–Fe bond length is 2.48 Å. There are one shorter (2.35 Å) and two longer (2.40 Å) Fe–Si bond lengths. In the fourth Fe site, Fe is bonded in a 12-coordinate geometry to three Ho, eight Fe, and one Si atom. There are two shorter (2.39 Å) and one longer (2.54 Å) Fe–Fe bond lengths. The Fe–Si bond length is 2.33 Å. In the fifth Fe site, Fe is bonded in a 9-coordinate geometry to three Ho and six Fe atoms. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to three Ho and six Fe atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to three Ho and six Fe atoms.},
doi = {10.17188/1722393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}