Materials Data on Pb2IOF by Materials Project
Abstract
Pb2OIF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to two equivalent O2-, four equivalent I1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.37 Å. There are a spread of Pb–I bond distances ranging from 3.52–3.91 Å. Both Pb–F bond lengths are 2.60 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1206410
- 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; Pb2IOF; F-I-O-Pb
- OSTI Identifier:
- 1746448
- DOI:
- https://doi.org/10.17188/1746448
Citation Formats
The Materials Project. Materials Data on Pb2IOF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1746448.
The Materials Project. Materials Data on Pb2IOF by Materials Project. United States. doi:https://doi.org/10.17188/1746448
The Materials Project. 2020.
"Materials Data on Pb2IOF by Materials Project". United States. doi:https://doi.org/10.17188/1746448. https://www.osti.gov/servlets/purl/1746448. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1746448,
title = {Materials Data on Pb2IOF by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2OIF crystallizes in the orthorhombic Cmme space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to two equivalent O2-, four equivalent I1-, and two equivalent F1- atoms. Both Pb–O bond lengths are 2.37 Å. There are a spread of Pb–I bond distances ranging from 3.52–3.91 Å. Both Pb–F bond lengths are 2.60 Å. O2- is bonded to four equivalent Pb2+ atoms to form distorted OPb4 tetrahedra that share corners with four equivalent FPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra. I1- is bonded in a distorted body-centered cubic geometry to eight equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form distorted FPb4 tetrahedra that share corners with four equivalent OPb4 tetrahedra, edges with two equivalent OPb4 tetrahedra, and edges with two equivalent FPb4 tetrahedra.},
doi = {10.17188/1746448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}