U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on P3(PbO5)2 by Materials Project
Abstract
P3(PbO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.75 Å. In the second Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.77 Å. There are three inequivalent P+4.67+ sites. In the first P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the third P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the second O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104631
- 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; P3(PbO5)2; O-P-Pb
- OSTI Identifier:
- 1664200
- DOI:
- https://doi.org/10.17188/1664200
Citation Formats
The Materials Project. Materials Data on P3(PbO5)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1664200.
The Materials Project. Materials Data on P3(PbO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1664200
The Materials Project. 2020.
"Materials Data on P3(PbO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1664200. https://www.osti.gov/servlets/purl/1664200. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1664200,
title = {Materials Data on P3(PbO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {P3(PbO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Pb3+ sites. In the first Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.75 Å. In the second Pb3+ site, Pb3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.77 Å. There are three inequivalent P+4.67+ sites. In the first P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.51–1.61 Å. In the second P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. In the third P+4.67+ site, P+4.67+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.52–1.64 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb3+ and one P+4.67+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two Pb3+ and one P+4.67+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to two Pb3+ and one P+4.67+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two P+4.67+ atoms.},
doi = {10.17188/1664200},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}