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Title: Materials Data on Sn5(BIr3)2 by Materials Project

Abstract

Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. 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 7-coordinate geometry to six equivalent Ir and one B atom.

Publication Date:
Other Number(s):
mp-28998
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; Sn5(BIr3)2; B-Ir-Sn
OSTI Identifier:
1203050
DOI:
https://doi.org/10.17188/1203050

Citation Formats

The Materials Project. Materials Data on Sn5(BIr3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203050.
The Materials Project. Materials Data on Sn5(BIr3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203050
The Materials Project. 2020. "Materials Data on Sn5(BIr3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203050. https://www.osti.gov/servlets/purl/1203050. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1203050,
title = {Materials Data on Sn5(BIr3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn5(Ir3B)2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ir is bonded in a 7-coordinate geometry to two B and five Sn atoms. There are one shorter (2.19 Å) and one longer (2.22 Å) Ir–B bond lengths. There are a spread of Ir–Sn bond distances ranging from 2.72–2.91 Å. There are two inequivalent B sites. In the first B site, B is bonded in a distorted pentagonal pyramidal geometry to six equivalent Ir atoms. In the second B site, B is bonded in a 6-coordinate geometry to six equivalent Ir and three equivalent Sn atoms. All B–Sn bond lengths are 2.71 Å. 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 7-coordinate geometry to six equivalent Ir and one B atom.},
doi = {10.17188/1203050},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}