U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Gd(PO3)3 by Materials Project
Abstract
Gd(PO3)3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.69 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Gd3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry tomore »
- Publication Date:
- Other Number(s):
- mp-559288
- 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; Gd(PO3)3; Gd-O-P; crystal structure
- OSTI Identifier:
- 1270764
- DOI:
- https://doi.org/10.17188/1270764
Citation Formats
Materials Data on Gd(PO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270764.
Materials Data on Gd(PO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1270764
2020.
"Materials Data on Gd(PO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1270764. https://www.osti.gov/servlets/purl/1270764. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1270764,
title = {Materials Data on Gd(PO3)3 by Materials Project},
abstractNote = {Gd(PO3)3 crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.34–2.69 Å. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. In the second P5+ site, P5+ is bonded to four O2- atoms to form corner-sharing PO4 tetrahedra. There are a spread of P–O bond distances ranging from 1.49–1.62 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent P5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two P5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Gd3+ and one P5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Gd3+ and one P5+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Gd3+ and one P5+ atom.},
doi = {10.17188/1270764},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}