U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Na2Ti2As2O by Materials Project
Abstract
Na2Ti2As2O is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are four shorter (3.05 Å) and one longer (3.10 Å) Na–As bond lengths. The Na–O bond length is 2.82 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.73 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Ti3+ atoms. O2- is bonded to two equivalent Na1+ and four equivalent Ti3+ atoms to form distorted corner-sharing ONa2Ti4 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1025360
- 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-Na-O-Ti; Na2Ti2As2O; crystal structure
- OSTI Identifier:
- 1355327
- DOI:
- https://doi.org/10.17188/1355327
Citation Formats
Materials Data on Na2Ti2As2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355327.
Materials Data on Na2Ti2As2O by Materials Project. United States. doi:https://doi.org/10.17188/1355327
2020.
"Materials Data on Na2Ti2As2O by Materials Project". United States. doi:https://doi.org/10.17188/1355327. https://www.osti.gov/servlets/purl/1355327. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355327,
title = {Materials Data on Na2Ti2As2O by Materials Project},
abstractNote = {Na2Ti2As2O is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to five equivalent As3- and one O2- atom. There are four shorter (3.05 Å) and one longer (3.10 Å) Na–As bond lengths. The Na–O bond length is 2.82 Å. Ti3+ is bonded in a distorted linear geometry to four equivalent As3- and two equivalent O2- atoms. All Ti–As bond lengths are 2.73 Å. Both Ti–O bond lengths are 2.03 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Ti3+ atoms. O2- is bonded to two equivalent Na1+ and four equivalent Ti3+ atoms to form distorted corner-sharing ONa2Ti4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1355327},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}