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Title: Materials Data on Sn4B3Ir7 by Materials Project

Abstract

Ir7B3Sn4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to two equivalent B and four Sn atoms. Both Ir–B bond lengths are 2.16 Å. There are a spread of Ir–Sn bond distances ranging from 2.73–2.95 Å. In the second Ir site, Ir is bonded to six equivalent B atoms to form face-sharing IrB6 octahedra. All Ir–B bond lengths are 2.31 Å. B is bonded to six Ir atoms to form a mixture of distorted edge and corner-sharing BIr6 pentagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-28999
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sn4B3Ir7; B-Ir-Sn
OSTI Identifier:
1203051
DOI:
https://doi.org/10.17188/1203051

Citation Formats

The Materials Project. Materials Data on Sn4B3Ir7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203051.
The Materials Project. Materials Data on Sn4B3Ir7 by Materials Project. United States. doi:https://doi.org/10.17188/1203051
The Materials Project. 2020. "Materials Data on Sn4B3Ir7 by Materials Project". United States. doi:https://doi.org/10.17188/1203051. https://www.osti.gov/servlets/purl/1203051. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1203051,
title = {Materials Data on Sn4B3Ir7 by Materials Project},
author = {The Materials Project},
abstractNote = {Ir7B3Sn4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 2-coordinate geometry to two equivalent B and four Sn atoms. Both Ir–B bond lengths are 2.16 Å. There are a spread of Ir–Sn bond distances ranging from 2.73–2.95 Å. In the second Ir site, Ir is bonded to six equivalent B atoms to form face-sharing IrB6 octahedra. All Ir–B bond lengths are 2.31 Å. B is bonded to six Ir atoms to form a mixture of distorted edge and corner-sharing BIr6 pentagonal pyramids. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Ir atoms.},
doi = {10.17188/1203051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}