U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Al(BiO3)3 by Materials Project
Abstract
Al(BiO3)3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Al–O bond distances ranging from 1.80–1.97 Å. There are three inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.67 Å) Bi–O bond lengths. In the second Bi5+ site, Bi5+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.66 Å) Bi–O bond lengths. In the third Bi5+ site, Bi5+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing BiO12 cuboctahedra. There are four shorter (2.55 Å) and eight longer (2.69 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi5+ atoms.more »
- Publication Date:
- Other Number(s):
- mvc-11777
- 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(BiO3)3; Al-Bi-O; crystal structure
- OSTI Identifier:
- 1318322
- DOI:
- https://doi.org/10.17188/1318322
Citation Formats
Materials Data on Al(BiO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318322.
Materials Data on Al(BiO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1318322
2020.
"Materials Data on Al(BiO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1318322. https://www.osti.gov/servlets/purl/1318322. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1318322,
title = {Materials Data on Al(BiO3)3 by Materials Project},
abstractNote = {Al(BiO3)3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form corner-sharing AlO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of Al–O bond distances ranging from 1.80–1.97 Å. There are three inequivalent Bi5+ sites. In the first Bi5+ site, Bi5+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.67 Å) Bi–O bond lengths. In the second Bi5+ site, Bi5+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.36 Å) and four longer (2.66 Å) Bi–O bond lengths. In the third Bi5+ site, Bi5+ is bonded to twelve O2- atoms to form a mixture of face and corner-sharing BiO12 cuboctahedra. There are four shorter (2.55 Å) and eight longer (2.69 Å) Bi–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Al3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi5+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to four Bi5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ and four equivalent Bi5+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Al3+ and four equivalent Bi5+ atoms. In the sixth O2- site, O2- is bonded in a rectangular see-saw-like geometry to four equivalent Bi5+ atoms.},
doi = {10.17188/1318322},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 04:00:00 UTC 2020},
month = {Sat May 02 04:00:00 UTC 2020}
}