Materials Data on BaPbF6 by Materials Project
Abstract
BaPbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent PbF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent PbF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six shorter (2.85 Å) and six longer (3.00 Å) Ba–F bond lengths. Pb4+ is bonded to six equivalent F1- atoms to form PbF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Pb–F bond lengths are 2.11 Å. F1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Pb4+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-19799
- 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; BaPbF6; Ba-F-Pb
- OSTI Identifier:
- 1194997
- DOI:
- https://doi.org/10.17188/1194997
Citation Formats
The Materials Project. Materials Data on BaPbF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194997.
The Materials Project. Materials Data on BaPbF6 by Materials Project. United States. doi:https://doi.org/10.17188/1194997
The Materials Project. 2020.
"Materials Data on BaPbF6 by Materials Project". United States. doi:https://doi.org/10.17188/1194997. https://www.osti.gov/servlets/purl/1194997. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1194997,
title = {Materials Data on BaPbF6 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPbF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent PbF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent PbF6 octahedra. The corner-sharing octahedral tilt angles are 41°. There are six shorter (2.85 Å) and six longer (3.00 Å) Ba–F bond lengths. Pb4+ is bonded to six equivalent F1- atoms to form PbF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Pb–F bond lengths are 2.11 Å. F1- is bonded in a 1-coordinate geometry to two equivalent Ba2+ and one Pb4+ atom.},
doi = {10.17188/1194997},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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