U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaBiIO2 by Materials Project
Abstract
CaBiO2I crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Ca–O bond lengths are 2.32 Å. All Ca–I bond lengths are 3.55 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.27 Å. All Bi–I bond lengths are 3.80 Å. O2- is bonded to two equivalent Ca2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCa2Bi2 tetrahedra. I1- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1227238
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Bi-Ca-I-O; CaBiIO2; crystal structure
- OSTI Identifier:
- 1651642
- DOI:
- https://doi.org/10.17188/1651642
Citation Formats
Materials Data on CaBiIO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651642.
Materials Data on CaBiIO2 by Materials Project. United States. doi:https://doi.org/10.17188/1651642
2020.
"Materials Data on CaBiIO2 by Materials Project". United States. doi:https://doi.org/10.17188/1651642. https://www.osti.gov/servlets/purl/1651642. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1651642,
title = {Materials Data on CaBiIO2 by Materials Project},
abstractNote = {CaBiO2I crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ca2+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Ca–O bond lengths are 2.32 Å. All Ca–I bond lengths are 3.55 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent I1- atoms. All Bi–O bond lengths are 2.27 Å. All Bi–I bond lengths are 3.80 Å. O2- is bonded to two equivalent Ca2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OCa2Bi2 tetrahedra. I1- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Bi3+ atoms.},
doi = {10.17188/1651642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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