U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr2Ga(PO4)3 by Materials Project
Abstract
GaZr2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of six gallium molecules and one Zr2(PO4)3 framework. In the Zr2(PO4)3 framework, Zr3+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.11 Å) Zr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent ZrO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-1020626
- 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; Ga-O-P-Zr; Zr2Ga(PO4)3; crystal structure
- OSTI Identifier:
- 1351507
- DOI:
- https://doi.org/10.17188/1351507
Citation Formats
Materials Data on Zr2Ga(PO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1351507.
Materials Data on Zr2Ga(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1351507
2020.
"Materials Data on Zr2Ga(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1351507. https://www.osti.gov/servlets/purl/1351507. Pub date:Wed Jul 22 04:00:00 UTC 2020
@article{osti_1351507,
title = {Materials Data on Zr2Ga(PO4)3 by Materials Project},
abstractNote = {GaZr2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional and consists of six gallium molecules and one Zr2(PO4)3 framework. In the Zr2(PO4)3 framework, Zr3+ is bonded to six O2- atoms to form ZrO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.09 Å) and three longer (2.11 Å) Zr–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent ZrO6 octahedra. The corner-sharing octahedral tilt angles are 28°. There is two shorter (1.54 Å) and two longer (1.55 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zr3+ and one P5+ atom.},
doi = {10.17188/1351507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}