U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AsHPbO4 by Materials Project
Abstract
PbHAsO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.92 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.71–1.77 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.45 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Pb2+, one As5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+, one As5+, and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-1228828
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; As-H-O-Pb; AsHPbO4; crystal structure
- OSTI Identifier:
- 1695832
- DOI:
- https://doi.org/10.17188/1695832
Citation Formats
Materials Data on AsHPbO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695832.
Materials Data on AsHPbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1695832
2020.
"Materials Data on AsHPbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1695832. https://www.osti.gov/servlets/purl/1695832. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1695832,
title = {Materials Data on AsHPbO4 by Materials Project},
abstractNote = {PbHAsO4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.92 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.71–1.77 Å. H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.45 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one Pb2+, one As5+, and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Pb2+, one As5+, and one H1+ atom.},
doi = {10.17188/1695832},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}