U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaTi2As2O by Materials Project
Abstract
BaTi2As2O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.44 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.71 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1018735
- 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; As-Ba-O-Ti; BaTi2As2O; crystal structure
- OSTI Identifier:
- 1350462
- DOI:
- https://doi.org/10.17188/1350462
Citation Formats
Materials Data on BaTi2As2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350462.
Materials Data on BaTi2As2O by Materials Project. United States. doi:https://doi.org/10.17188/1350462
2020.
"Materials Data on BaTi2As2O by Materials Project". United States. doi:https://doi.org/10.17188/1350462. https://www.osti.gov/servlets/purl/1350462. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1350462,
title = {Materials Data on BaTi2As2O by Materials Project},
abstractNote = {BaTi2As2O crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Ba–As bond lengths are 3.44 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.71 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Ti3+ atoms. O2- is bonded in a square co-planar geometry to four equivalent Ti3+ atoms.},
doi = {10.17188/1350462},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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