U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on As2HPbF13 by Materials Project
Abstract
PbAs2HF13 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.55–2.99 Å. There are three inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.74–1.80 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.81 Å. In the third As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.80 Å. H1+ is bonded in a single-bond geometry to one F1- atom. The H–F bond length is 0.95 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-758957
- 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; As2HPbF13; As-F-H-Pb
- OSTI Identifier:
- 1291315
- DOI:
- https://doi.org/10.17188/1291315
Citation Formats
The Materials Project. Materials Data on As2HPbF13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291315.
The Materials Project. Materials Data on As2HPbF13 by Materials Project. United States. doi:https://doi.org/10.17188/1291315
The Materials Project. 2020.
"Materials Data on As2HPbF13 by Materials Project". United States. doi:https://doi.org/10.17188/1291315. https://www.osti.gov/servlets/purl/1291315. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1291315,
title = {Materials Data on As2HPbF13 by Materials Project},
author = {The Materials Project},
abstractNote = {PbAs2HF13 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Pb2+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Pb–F bond distances ranging from 2.55–2.99 Å. There are three inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.74–1.80 Å. In the second As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.81 Å. In the third As5+ site, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.75–1.80 Å. H1+ is bonded in a single-bond geometry to one F1- atom. The H–F bond length is 0.95 Å. There are fourteen inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the sixth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the seventh F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the eighth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one H1+ atom. In the ninth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the tenth F1- site, F1- is bonded in a single-bond geometry to one Pb2+ and one As5+ atom. In the eleventh F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the twelfth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the thirteenth F1- site, F1- is bonded in a distorted single-bond geometry to one Pb2+ and one As5+ atom. In the fourteenth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.},
doi = {10.17188/1291315},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}