U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga2P3(HO3)3 by Materials Project
Abstract
Ga2P3(HO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent PHO3 tetrahedra and a faceface with one GaO6 octahedra. There are three shorter (1.92 Å) and three longer (2.08 Å) Ga–O bond lengths. P5+ is bonded to one H1- and three O2- atoms to form distorted PHO3 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–49°. The P–H bond length is 1.40 Å. There is two shorter (1.53 Å) and one longer (1.57 Å) P–O bond length. H1- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-24563
- 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-H-O-P; Ga2P3(HO3)3; crystal structure
- OSTI Identifier:
- 1200144
- DOI:
- https://doi.org/10.17188/1200144
Citation Formats
Materials Data on Ga2P3(HO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1200144.
Materials Data on Ga2P3(HO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1200144
2020.
"Materials Data on Ga2P3(HO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1200144. https://www.osti.gov/servlets/purl/1200144. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1200144,
title = {Materials Data on Ga2P3(HO3)3 by Materials Project},
abstractNote = {Ga2P3(HO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Ga3+ is bonded to six O2- atoms to form GaO6 octahedra that share corners with six equivalent PHO3 tetrahedra and a faceface with one GaO6 octahedra. There are three shorter (1.92 Å) and three longer (2.08 Å) Ga–O bond lengths. P5+ is bonded to one H1- and three O2- atoms to form distorted PHO3 tetrahedra that share corners with four equivalent GaO6 octahedra. The corner-sharing octahedra tilt angles range from 38–49°. The P–H bond length is 1.40 Å. There is two shorter (1.53 Å) and one longer (1.57 Å) P–O bond length. H1- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ga3+ and one P5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Ga3+ and one P5+ atom.},
doi = {10.17188/1200144},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}