Materials Data on Ti2(PO4)3 by Materials Project
Abstract
Ti2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (1.97 Å) Ti–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–32°. All P–O bond lengths are 1.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-774537
- 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; Ti2(PO4)3; O-P-Ti
- OSTI Identifier:
- 1302621
- DOI:
- https://doi.org/10.17188/1302621
Citation Formats
The Materials Project. Materials Data on Ti2(PO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1302621.
The Materials Project. Materials Data on Ti2(PO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1302621
The Materials Project. 2020.
"Materials Data on Ti2(PO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1302621. https://www.osti.gov/servlets/purl/1302621. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1302621,
title = {Materials Data on Ti2(PO4)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2(PO4)3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Ti is bonded to six O atoms to form TiO6 octahedra that share corners with six equivalent PO4 tetrahedra. There is three shorter (1.93 Å) and three longer (1.97 Å) Ti–O bond length. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–32°. All P–O bond lengths are 1.54 Å. There are two inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom. In the second O site, O is bonded in a bent 150 degrees geometry to one Ti and one P atom.},
doi = {10.17188/1302621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}
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