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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.

Publication Date:
Other Number(s):
mp-14445
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; Ca(BIr)2; B-Ca-Ir
OSTI Identifier:
1190684
DOI:
https://doi.org/10.17188/1190684

Citation Formats

The Materials Project. Materials Data on Ca(BIr)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190684.
The Materials Project. Materials Data on Ca(BIr)2 by Materials Project. United States. doi:https://doi.org/10.17188/1190684
The Materials Project. 2020. "Materials Data on Ca(BIr)2 by Materials Project". United States. doi:https://doi.org/10.17188/1190684. https://www.osti.gov/servlets/purl/1190684. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190684,
title = {Materials Data on Ca(BIr)2 by Materials Project},
author = {The Materials Project},
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}
}