U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pm2(WO4)3 by Materials Project
Abstract
Pm2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pm–O bond distances ranging from 2.39–2.51 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.16 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Pm3+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pm3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pm3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pm3+ and one W6+ atom. In the fifth O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209910
- 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; Pm2(WO4)3; O-Pm-W
- OSTI Identifier:
- 1744430
- DOI:
- https://doi.org/10.17188/1744430
Citation Formats
The Materials Project. Materials Data on Pm2(WO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744430.
The Materials Project. Materials Data on Pm2(WO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1744430
The Materials Project. 2020.
"Materials Data on Pm2(WO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1744430. https://www.osti.gov/servlets/purl/1744430. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744430,
title = {Materials Data on Pm2(WO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pm2(WO4)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Pm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pm–O bond distances ranging from 2.39–2.51 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.78–2.16 Å. In the second W6+ site, W6+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.80 Å) and two longer (1.85 Å) W–O bond length. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Pm3+ and two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pm3+ and one W6+ atom. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pm3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pm3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Pm3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Pm3+ and one W6+ atom.},
doi = {10.17188/1744430},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}