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Title: Materials Data on ScB2Ir3 by Materials Project

Abstract

ScIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to two equivalent Sc, twelve equivalent Ir, and six equivalent B atoms. Both Sc–Sc bond lengths are 3.06 Å. All Sc–Ir bond lengths are 3.13 Å. All Sc–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Sc and six equivalent Ir atoms.

Authors:
Publication Date:
Other Number(s):
mp-1077776
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; ScB2Ir3; B-Ir-Sc
OSTI Identifier:
1745889
DOI:
https://doi.org/10.17188/1745889

Citation Formats

The Materials Project. Materials Data on ScB2Ir3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745889.
The Materials Project. Materials Data on ScB2Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1745889
The Materials Project. 2020. "Materials Data on ScB2Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1745889. https://www.osti.gov/servlets/purl/1745889. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745889,
title = {Materials Data on ScB2Ir3 by Materials Project},
author = {The Materials Project},
abstractNote = {ScIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to two equivalent Sc, twelve equivalent Ir, and six equivalent B atoms. Both Sc–Sc bond lengths are 3.06 Å. All Sc–Ir bond lengths are 3.13 Å. All Sc–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Sc and six equivalent Ir atoms.},
doi = {10.17188/1745889},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}