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Title: Materials Data on Dy2Fe14C by Materials Project

Abstract

Dy2Fe14C crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 1-coordinate geometry to sixteen Fe and one C atom. There are a spread of Dy–Fe bond distances ranging from 2.99–3.35 Å. The Dy–C bond length is 2.82 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to sixteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.96–3.23 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two Dy, seven Fe, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.46–2.73 Å. The Fe–C bond length is 1.99 Å. In the second Fe site, Fe is bonded to two Dy and ten Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeDy2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.36–2.61 Å. In the third Fe site, Fe is bonded to three Dy and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeDy3Fe9 cuboctahedra. There are a spreadmore » of Fe–Fe bond distances ranging from 2.39–2.74 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to two Dy and twelve Fe atoms. The Fe–Fe bond length is 2.79 Å. In the fifth Fe site, Fe is bonded to four Dy and eight Fe atoms to form a mixture of distorted face and corner-sharing FeDy4Fe8 cuboctahedra. In the sixth Fe site, Fe is bonded in a water-like geometry to two equivalent Dy, four Fe, and two equivalent C atoms. Both Fe–C bond lengths are 2.02 Å. C is bonded in a 6-coordinate geometry to one Dy and six Fe atoms.« less

Publication Date:
Other Number(s):
mp-571165
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; Dy2Fe14C; C-Dy-Fe
OSTI Identifier:
1276115
DOI:
https://doi.org/10.17188/1276115

Citation Formats

The Materials Project. Materials Data on Dy2Fe14C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276115.
The Materials Project. Materials Data on Dy2Fe14C by Materials Project. United States. doi:https://doi.org/10.17188/1276115
The Materials Project. 2020. "Materials Data on Dy2Fe14C by Materials Project". United States. doi:https://doi.org/10.17188/1276115. https://www.osti.gov/servlets/purl/1276115. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1276115,
title = {Materials Data on Dy2Fe14C by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2Fe14C crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 1-coordinate geometry to sixteen Fe and one C atom. There are a spread of Dy–Fe bond distances ranging from 2.99–3.35 Å. The Dy–C bond length is 2.82 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to sixteen Fe atoms. There are a spread of Dy–Fe bond distances ranging from 2.96–3.23 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded in a single-bond geometry to two Dy, seven Fe, and one C atom. There are a spread of Fe–Fe bond distances ranging from 2.46–2.73 Å. The Fe–C bond length is 1.99 Å. In the second Fe site, Fe is bonded to two Dy and ten Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeDy2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.36–2.61 Å. In the third Fe site, Fe is bonded to three Dy and nine Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeDy3Fe9 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.39–2.74 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to two Dy and twelve Fe atoms. The Fe–Fe bond length is 2.79 Å. In the fifth Fe site, Fe is bonded to four Dy and eight Fe atoms to form a mixture of distorted face and corner-sharing FeDy4Fe8 cuboctahedra. In the sixth Fe site, Fe is bonded in a water-like geometry to two equivalent Dy, four Fe, and two equivalent C atoms. Both Fe–C bond lengths are 2.02 Å. C is bonded in a 6-coordinate geometry to one Dy and six Fe atoms.},
doi = {10.17188/1276115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}