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Title: Materials Data on Nd(FeP3)4 by Materials Project

Abstract

NdFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent P1- atoms to form NdP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Nd–P bond lengths are 3.00 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent NdP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.25 Å. P1- is bonded in a 2-coordinate geometry to one Nd3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.29 Å) and one longer (2.37 Å) P–P bond lengths.

Publication Date:
Other Number(s):
mp-16431
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; Nd(FeP3)4; Fe-Nd-P
OSTI Identifier:
1191861
DOI:
https://doi.org/10.17188/1191861

Citation Formats

The Materials Project. Materials Data on Nd(FeP3)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191861.
The Materials Project. Materials Data on Nd(FeP3)4 by Materials Project. United States. doi:https://doi.org/10.17188/1191861
The Materials Project. 2020. "Materials Data on Nd(FeP3)4 by Materials Project". United States. doi:https://doi.org/10.17188/1191861. https://www.osti.gov/servlets/purl/1191861. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191861,
title = {Materials Data on Nd(FeP3)4 by Materials Project},
author = {The Materials Project},
abstractNote = {NdFe4P12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent P1- atoms to form NdP12 cuboctahedra that share faces with eight equivalent FeP6 octahedra. All Nd–P bond lengths are 3.00 Å. Fe+2.25+ is bonded to six equivalent P1- atoms to form FeP6 octahedra that share corners with six equivalent FeP6 octahedra and faces with two equivalent NdP12 cuboctahedra. The corner-sharing octahedral tilt angles are 59°. All Fe–P bond lengths are 2.25 Å. P1- is bonded in a 2-coordinate geometry to one Nd3+, two equivalent Fe+2.25+, and two equivalent P1- atoms. There are one shorter (2.29 Å) and one longer (2.37 Å) P–P bond lengths.},
doi = {10.17188/1191861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}