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Title: Materials Data on Nd3Fe5O12 by Materials Project

Abstract

Nd3Fe5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.55 Å) Nd–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. All Fe–O bond lengths are 2.07 Å. In the second Fe3+ site, Fe3+ is bonded to four equivalent O2- atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–O bond lengths are 1.91 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Fe3+ atoms.

Publication Date:
Other Number(s):
mp-1201849
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; Nd3Fe5O12; Fe-Nd-O
OSTI Identifier:
1672858
DOI:
https://doi.org/10.17188/1672858

Citation Formats

The Materials Project. Materials Data on Nd3Fe5O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672858.
The Materials Project. Materials Data on Nd3Fe5O12 by Materials Project. United States. doi:https://doi.org/10.17188/1672858
The Materials Project. 2020. "Materials Data on Nd3Fe5O12 by Materials Project". United States. doi:https://doi.org/10.17188/1672858. https://www.osti.gov/servlets/purl/1672858. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672858,
title = {Materials Data on Nd3Fe5O12 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd3Fe5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.44 Å) and four longer (2.55 Å) Nd–O bond lengths. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six equivalent O2- atoms to form corner-sharing FeO6 octahedra. All Fe–O bond lengths are 2.07 Å. In the second Fe3+ site, Fe3+ is bonded to four equivalent O2- atoms to form corner-sharing FeO4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–O bond lengths are 1.91 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Nd3+ and two Fe3+ atoms.},
doi = {10.17188/1672858},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}