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Title: Materials Data on Sm3Ir by Materials Project

Abstract

Sm3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.84 Å) and one longer (2.93 Å) Sm–Ir bond lengths. In the second Sm site, Sm is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (2.93 Å) Sm–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Sm atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-7342
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; Sm3Ir; Ir-Sm
OSTI Identifier:
1287743
DOI:
10.17188/1287743

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Sm3Ir by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1287743.
Persson, Kristin, & Project, Materials. Materials Data on Sm3Ir by Materials Project. United States. doi:10.17188/1287743.
Persson, Kristin, and Project, Materials. 2017. "Materials Data on Sm3Ir by Materials Project". United States. doi:10.17188/1287743. https://www.osti.gov/servlets/purl/1287743. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1287743,
title = {Materials Data on Sm3Ir by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Sm3Ir is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Sm3Ir sheets oriented in the (0, 0, 1) direction. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ir atoms. There are one shorter (2.84 Å) and one longer (2.93 Å) Sm–Ir bond lengths. In the second Sm site, Sm is bonded in a 2-coordinate geometry to two equivalent Ir atoms. There are one shorter (2.90 Å) and one longer (2.93 Å) Sm–Ir bond lengths. Ir is bonded in a 6-coordinate geometry to six Sm atoms.},
doi = {10.17188/1287743},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}

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