Materials Data on As2PbO4 by Materials Project
Abstract
PbAs2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.56 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.78–1.85 Å. In the second As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.77–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pb2+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one As3+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28537
- 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; As2PbO4; As-O-Pb
- OSTI Identifier:
- 1202642
- DOI:
- https://doi.org/10.17188/1202642
Citation Formats
The Materials Project. Materials Data on As2PbO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202642.
The Materials Project. Materials Data on As2PbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1202642
The Materials Project. 2020.
"Materials Data on As2PbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1202642. https://www.osti.gov/servlets/purl/1202642. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202642,
title = {Materials Data on As2PbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {PbAs2O4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.30–2.56 Å. There are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.78–1.85 Å. In the second As3+ site, As3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.77–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pb2+ and one As3+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one As3+ atom.},
doi = {10.17188/1202642},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}