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Title: Materials Data on Ca(BIr)2 by Materials Project

Abstract

Ca(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.05 Å) and four longer (3.29 Å) Ca–Ir bond lengths. There are two shorter (3.00 Å) and four longer (3.15 Å) Ca–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.

Authors:
Contributors:
Researcher:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1190684
Report Number(s):
mp-14445
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ca(BIr)2; B-Ca-Ir

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ca(BIr)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190684.
Persson, Kristin, & Project, Materials. Materials Data on Ca(BIr)2 by Materials Project. United States. doi:10.17188/1190684.
Persson, Kristin, and Project, Materials. Thu . "Materials Data on Ca(BIr)2 by Materials Project". United States. doi:10.17188/1190684. https://www.osti.gov/servlets/purl/1190684.
@article{osti_1190684,
title = {Materials Data on Ca(BIr)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ca(IrB)2 is alpha Pu-derived structured and crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ca is bonded in a 10-coordinate geometry to eight equivalent Ir and six equivalent B atoms. There are four shorter (3.05 Å) and four longer (3.29 Å) Ca–Ir bond lengths. There are two shorter (3.00 Å) and four longer (3.15 Å) Ca–B bond lengths. Ir is bonded in a 4-coordinate geometry to four equivalent Ca and four equivalent B atoms. There are two shorter (2.09 Å) and two longer (2.16 Å) Ir–B bond lengths. B is bonded in a 4-coordinate geometry to three equivalent Ca and four equivalent Ir atoms.},
doi = {10.17188/1190684},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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