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Title: Materials Data on Sc(Fe2P)2 by Materials Project

Abstract

Sc(Fe2P)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc is bonded to six equivalent P atoms to form a mixture of distorted edge and corner-sharing ScP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.73 Å) and four longer (2.78 Å) Sc–P bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are one shorter (2.24 Å) and two longer (2.29 Å) Fe–P bond lengths. P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Fe atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-510133
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; Sc(Fe2P)2; Fe-P-Sc
OSTI Identifier:
1262843
DOI:
10.17188/1262843

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sc(Fe2P)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262843.
Persson, Kristin, & Project, Materials. Materials Data on Sc(Fe2P)2 by Materials Project. United States. doi:10.17188/1262843.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Sc(Fe2P)2 by Materials Project". United States. doi:10.17188/1262843. https://www.osti.gov/servlets/purl/1262843. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1262843,
title = {Materials Data on Sc(Fe2P)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sc(Fe2P)2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Sc is bonded to six equivalent P atoms to form a mixture of distorted edge and corner-sharing ScP6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are two shorter (2.73 Å) and four longer (2.78 Å) Sc–P bond lengths. Fe is bonded in a 3-coordinate geometry to three equivalent P atoms. There are one shorter (2.24 Å) and two longer (2.29 Å) Fe–P bond lengths. P is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Fe atoms.},
doi = {10.17188/1262843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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