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Title: Materials Data on Sc2VB2Ir5 by Materials Project

Abstract

Sc2VIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.81–2.97 Å. There are one shorter (2.67 Å) and two longer (2.84 Å) Sc–B bond lengths. V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.65 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent V, and two equivalent B atoms. Both Ir–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.

Publication Date:
Other Number(s):
mp-20524
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; Sc2VB2Ir5; B-Ir-Sc-V
OSTI Identifier:
1195657
DOI:
https://doi.org/10.17188/1195657

Citation Formats

The Materials Project. Materials Data on Sc2VB2Ir5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1195657.
The Materials Project. Materials Data on Sc2VB2Ir5 by Materials Project. United States. doi:https://doi.org/10.17188/1195657
The Materials Project. 2020. "Materials Data on Sc2VB2Ir5 by Materials Project". United States. doi:https://doi.org/10.17188/1195657. https://www.osti.gov/servlets/purl/1195657. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1195657,
title = {Materials Data on Sc2VB2Ir5 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2VIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sc is bonded in a 1-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Sc–Ir bond distances ranging from 2.81–2.97 Å. There are one shorter (2.67 Å) and two longer (2.84 Å) Sc–B bond lengths. V is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All V–Ir bond lengths are 2.65 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.25 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Sc, two equivalent V, and two equivalent B atoms. Both Ir–B bond lengths are 2.22 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Ir atoms.},
doi = {10.17188/1195657},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}