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Title: Materials Data on Sm(SiIr)2 by Materials Project

Abstract

SmIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Sm–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ir3+ atoms.

Publication Date:
Other Number(s):
mp-1087538
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; Sm(SiIr)2; Ir-Si-Sm
OSTI Identifier:
1682705
DOI:
https://doi.org/10.17188/1682705

Citation Formats

The Materials Project. Materials Data on Sm(SiIr)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682705.
The Materials Project. Materials Data on Sm(SiIr)2 by Materials Project. United States. doi:https://doi.org/10.17188/1682705
The Materials Project. 2020. "Materials Data on Sm(SiIr)2 by Materials Project". United States. doi:https://doi.org/10.17188/1682705. https://www.osti.gov/servlets/purl/1682705. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1682705,
title = {Materials Data on Sm(SiIr)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SmIr2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Sm2+ is bonded in a 8-coordinate geometry to eight Si4- atoms. There are four shorter (3.19 Å) and four longer (3.20 Å) Sm–Si bond lengths. There are two inequivalent Ir3+ sites. In the first Ir3+ site, Ir3+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing IrSi4 tetrahedra. All Ir–Si bond lengths are 2.45 Å. In the second Ir3+ site, Ir3+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are one shorter (2.40 Å) and four longer (2.44 Å) Ir–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 4-coordinate geometry to four equivalent Sm2+ and four equivalent Ir3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to four equivalent Sm2+ and five Ir3+ atoms.},
doi = {10.17188/1682705},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}