U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaBiClO2 by Materials Project
Abstract
BaBiO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.69 Å. There are two shorter (3.36 Å) and two longer (3.51 Å) Ba–Cl bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.22 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi3+ atoms to form OBa2Bi2 tetrahedra that share corners with four equivalent OBa2Bi2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Bi2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Bi2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-552806
- 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; Ba-Bi-Cl-O; BaBiClO2; crystal structure
- OSTI Identifier:
- 1267585
- DOI:
- https://doi.org/10.17188/1267585
Citation Formats
Materials Data on BaBiClO2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267585.
Materials Data on BaBiClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1267585
2020.
"Materials Data on BaBiClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1267585. https://www.osti.gov/servlets/purl/1267585. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1267585,
title = {Materials Data on BaBiClO2 by Materials Project},
abstractNote = {BaBiO2Cl crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Ba–O bond lengths are 2.69 Å. There are two shorter (3.36 Å) and two longer (3.51 Å) Ba–Cl bond lengths. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Bi–O bond lengths are 2.22 Å. O2- is bonded to two equivalent Ba2+ and two equivalent Bi3+ atoms to form OBa2Bi2 tetrahedra that share corners with four equivalent OBa2Bi2 tetrahedra, corners with eight equivalent ClBa4 tetrahedra, and edges with four equivalent OBa2Bi2 tetrahedra. Cl1- is bonded to four equivalent Ba2+ atoms to form ClBa4 tetrahedra that share corners with four equivalent ClBa4 tetrahedra, corners with sixteen equivalent OBa2Bi2 tetrahedra, and edges with four equivalent ClBa4 tetrahedra.},
doi = {10.17188/1267585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}