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Title: Materials Data on SmFePO by Materials Project

Abstract

SmFePO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Sm–P bond lengths are 3.27 Å. All Sm–O bond lengths are 2.29 Å. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.38 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-505259
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; SmFePO; Fe-O-P-Sm
OSTI Identifier:
1262398
DOI:
10.17188/1262398

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on SmFePO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262398.
Persson, Kristin, & Project, Materials. Materials Data on SmFePO by Materials Project. United States. doi:10.17188/1262398.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on SmFePO by Materials Project". United States. doi:10.17188/1262398. https://www.osti.gov/servlets/purl/1262398. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262398,
title = {Materials Data on SmFePO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {SmFePO is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent O2- atoms. All Sm–P bond lengths are 3.27 Å. All Sm–O bond lengths are 2.29 Å. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.38 Å. P3- is bonded in a 4-coordinate geometry to four equivalent Sm3+ and four equivalent Fe2+ atoms. O2- is bonded to four equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.},
doi = {10.17188/1262398},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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