U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlPO4 by Materials Project
Abstract
AlPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent AlO6 octahedra. There is two shorter (1.82 Å) and four longer (2.01 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-13024
- 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; Al-O-P; AlPO4; crystal structure
- OSTI Identifier:
- 1189333
- DOI:
- https://doi.org/10.17188/1189333
Citation Formats
Materials Data on AlPO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189333.
Materials Data on AlPO4 by Materials Project. United States. doi:https://doi.org/10.17188/1189333
2020.
"Materials Data on AlPO4 by Materials Project". United States. doi:https://doi.org/10.17188/1189333. https://www.osti.gov/servlets/purl/1189333. Pub date:Wed Jul 15 20:00:00 EDT 2020
@article{osti_1189333,
title = {Materials Data on AlPO4 by Materials Project},
abstractNote = {AlPO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with two equivalent AlO6 octahedra. There is two shorter (1.82 Å) and four longer (2.01 Å) Al–O bond length. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with six equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 48–54°. There is two shorter (1.52 Å) and two longer (1.59 Å) P–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Al3+ and one P5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one P5+ atom.},
doi = {10.17188/1189333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}