U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZnPb2F6 by Materials Project
Abstract
ZnPb2F6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 0–36°. There are four shorter (2.03 Å) and two longer (2.13 Å) Zn–F bond lengths. Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–2.87 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Zn2+ and two equivalent Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-20006
- 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; ZnPb2F6; F-Pb-Zn
- OSTI Identifier:
- 1195182
- DOI:
- https://doi.org/10.17188/1195182
Citation Formats
The Materials Project. Materials Data on ZnPb2F6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195182.
The Materials Project. Materials Data on ZnPb2F6 by Materials Project. United States. doi:https://doi.org/10.17188/1195182
The Materials Project. 2020.
"Materials Data on ZnPb2F6 by Materials Project". United States. doi:https://doi.org/10.17188/1195182. https://www.osti.gov/servlets/purl/1195182. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1195182,
title = {Materials Data on ZnPb2F6 by Materials Project},
author = {The Materials Project},
abstractNote = {ZnPb2F6 crystallizes in the tetragonal P4_2/ncm space group. The structure is three-dimensional. Zn2+ is bonded to six F1- atoms to form corner-sharing ZnF6 octahedra. The corner-sharing octahedra tilt angles range from 0–36°. There are four shorter (2.03 Å) and two longer (2.13 Å) Zn–F bond lengths. Pb2+ is bonded in a 7-coordinate geometry to seven F1- atoms. There are a spread of Pb–F bond distances ranging from 2.54–2.87 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent Zn2+ atoms. In the second F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the third F1- site, F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra. In the fourth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent Zn2+ and two equivalent Pb2+ atoms. In the fifth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to one Zn2+ and two equivalent Pb2+ atoms.},
doi = {10.17188/1195182},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jul 18 00:00:00 EDT 2020},
month = {Sat Jul 18 00:00:00 EDT 2020}
}