U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Co(BiO3)2 by Materials Project
Abstract
CoBiO4BiO2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one BiO2 sheet oriented in the (0, 0, 1) direction and one CoBiO4 sheet oriented in the (0, 0, 1) direction. In the BiO2 sheet, Bi4+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.24 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Bi4+ atoms. In the CoBiO4 sheet, Co4+ is bonded to six O2- atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are a spread of Co–O bond distances ranging from 1.69–1.92 Å. Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.67 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Co4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Co4+ and two equivalent Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Co4+ and four equivalent Bi4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mvc-15141
- 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; Co(BiO3)2; Bi-Co-O
- OSTI Identifier:
- 1319393
- DOI:
- https://doi.org/10.17188/1319393
Citation Formats
The Materials Project. Materials Data on Co(BiO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1319393.
The Materials Project. Materials Data on Co(BiO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1319393
The Materials Project. 2020.
"Materials Data on Co(BiO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1319393. https://www.osti.gov/servlets/purl/1319393. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1319393,
title = {Materials Data on Co(BiO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CoBiO4BiO2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one BiO2 sheet oriented in the (0, 0, 1) direction and one CoBiO4 sheet oriented in the (0, 0, 1) direction. In the BiO2 sheet, Bi4+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.24 Å. O2- is bonded in a bent 120 degrees geometry to two equivalent Bi4+ atoms. In the CoBiO4 sheet, Co4+ is bonded to six O2- atoms to form distorted corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 23°. There are a spread of Co–O bond distances ranging from 1.69–1.92 Å. Bi4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.38 Å) and four longer (2.67 Å) Bi–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Co4+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Co4+ and two equivalent Bi4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Co4+ and four equivalent Bi4+ atoms.},
doi = {10.17188/1319393},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}