U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al2(SeO4)3 by Materials Project
Abstract
Al2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.88–1.92 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 15–40°. There is two shorter (1.64 Å) and two longer (1.67 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 9–44°. There are a spread of Se–O bond distances ranging from 1.65–1.67 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Al3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Al3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ andmore »
- Publication Date:
- Other Number(s):
- mp-780398
- 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-Se; Al2(SeO4)3; crystal structure
- OSTI Identifier:
- 1307000
- DOI:
- https://doi.org/10.17188/1307000
Citation Formats
Materials Data on Al2(SeO4)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1307000.
Materials Data on Al2(SeO4)3 by Materials Project. United States. doi:https://doi.org/10.17188/1307000
2020.
"Materials Data on Al2(SeO4)3 by Materials Project". United States. doi:https://doi.org/10.17188/1307000. https://www.osti.gov/servlets/purl/1307000. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1307000,
title = {Materials Data on Al2(SeO4)3 by Materials Project},
abstractNote = {Al2(SeO4)3 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with six SeO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.88–1.92 Å. There are two inequivalent Se6+ sites. In the first Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 15–40°. There is two shorter (1.64 Å) and two longer (1.67 Å) Se–O bond length. In the second Se6+ site, Se6+ is bonded to four O2- atoms to form SeO4 tetrahedra that share corners with four equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 9–44°. There are a spread of Se–O bond distances ranging from 1.65–1.67 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Al3+ and one Se6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Al3+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Al3+ and one Se6+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Al3+ and one Se6+ atom.},
doi = {10.17188/1307000},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}