U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaCaI4 by Materials Project
Abstract
BaCaI4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent I1- atoms. There are four shorter (3.56 Å) and four longer (3.65 Å) Ba–I bond lengths. Ca2+ is bonded in a tetrahedral geometry to four equivalent I1- atoms. All Ca–I bond lengths are 3.03 Å. I1- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Ca2+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-756666
- 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; BaCaI4; Ba-Ca-I
- OSTI Identifier:
- 1290590
- DOI:
- https://doi.org/10.17188/1290590
Citation Formats
The Materials Project. Materials Data on BaCaI4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290590.
The Materials Project. Materials Data on BaCaI4 by Materials Project. United States. doi:https://doi.org/10.17188/1290590
The Materials Project. 2020.
"Materials Data on BaCaI4 by Materials Project". United States. doi:https://doi.org/10.17188/1290590. https://www.osti.gov/servlets/purl/1290590. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1290590,
title = {Materials Data on BaCaI4 by Materials Project},
author = {The Materials Project},
abstractNote = {BaCaI4 is Zircon-like structured and crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent I1- atoms. There are four shorter (3.56 Å) and four longer (3.65 Å) Ba–I bond lengths. Ca2+ is bonded in a tetrahedral geometry to four equivalent I1- atoms. All Ca–I bond lengths are 3.03 Å. I1- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Ca2+ atom.},
doi = {10.17188/1290590},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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