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Title: Materials Data on NdFeAsO by Materials Project

Abstract

NdFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.38 Å. All Nd–O bond lengths are 2.35 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.62 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.

Publication Date:
Other Number(s):
mp-622621
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; NdFeAsO; As-Fe-Nd-O
OSTI Identifier:
1278150
DOI:
10.17188/1278150

Citation Formats

The Materials Project. Materials Data on NdFeAsO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278150.
The Materials Project. Materials Data on NdFeAsO by Materials Project. United States. doi:10.17188/1278150.
The Materials Project. 2020. "Materials Data on NdFeAsO by Materials Project". United States. doi:10.17188/1278150. https://www.osti.gov/servlets/purl/1278150. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1278150,
title = {Materials Data on NdFeAsO by Materials Project},
author = {The Materials Project},
abstractNote = {NdFeAsO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent O2- atoms. All Nd–As bond lengths are 3.38 Å. All Nd–O bond lengths are 2.35 Å. Fe2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.62 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Nd3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Nd3+ atoms to form a mixture of corner and edge-sharing ONd4 tetrahedra.},
doi = {10.17188/1278150},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}

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