U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Bi4Pb(ClO3)2 by Materials Project
Abstract
PbOBi2O3(BiOCl)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BiOCl sheets oriented in the (0, 0, 1) direction and two PbOBi2O3 sheets oriented in the (0, 0, 1) direction. In each BiOCl sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.34 Å. All Bi–Cl bond lengths are 3.16 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. In each PbOBi2O3 sheet, Pb2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pb–O bond lengths are 2.63 Å. 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 Pb2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi2Pb2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104254
- 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; Bi4Pb(ClO3)2; Bi-Cl-O-Pb
- OSTI Identifier:
- 1717092
- DOI:
- https://doi.org/10.17188/1717092
Citation Formats
The Materials Project. Materials Data on Bi4Pb(ClO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1717092.
The Materials Project. Materials Data on Bi4Pb(ClO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1717092
The Materials Project. 2020.
"Materials Data on Bi4Pb(ClO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1717092. https://www.osti.gov/servlets/purl/1717092. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1717092,
title = {Materials Data on Bi4Pb(ClO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbOBi2O3(BiOCl)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BiOCl sheets oriented in the (0, 0, 1) direction and two PbOBi2O3 sheets oriented in the (0, 0, 1) direction. In each BiOCl sheet, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.34 Å. All Bi–Cl bond lengths are 3.16 Å. O2- is bonded to four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. In each PbOBi2O3 sheet, Pb2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pb–O bond lengths are 2.63 Å. 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 Pb2+ and two equivalent Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi2Pb2 tetrahedra.},
doi = {10.17188/1717092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}