U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi3IO4 by Materials Project
Abstract
Bi3O4I crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Bi–O bond lengths. There are one shorter (3.51 Å) and one longer (3.62 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–3.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. I1- is bonded in a 8-coordinate geometry to four equivalent Bi3+ atoms.
- Publication Date:
- Other Number(s):
- mp-772910
- 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-I-O; Bi3IO4; crystal structure
- OSTI Identifier:
- 1301533
- DOI:
- https://doi.org/10.17188/1301533
Citation Formats
Materials Data on Bi3IO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1301533.
Materials Data on Bi3IO4 by Materials Project. United States. doi:https://doi.org/10.17188/1301533
2020.
"Materials Data on Bi3IO4 by Materials Project". United States. doi:https://doi.org/10.17188/1301533. https://www.osti.gov/servlets/purl/1301533. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1301533,
title = {Materials Data on Bi3IO4 by Materials Project},
abstractNote = {Bi3O4I crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are one shorter (2.14 Å) and two longer (2.16 Å) Bi–O bond lengths. There are one shorter (3.51 Å) and one longer (3.62 Å) Bi–I bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–3.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. I1- is bonded in a 8-coordinate geometry to four equivalent Bi3+ atoms.},
doi = {10.17188/1301533},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}