U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2H4O7 by Materials Project
Abstract
H4OTa2O6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of eight water molecules and one HTaO3 framework. In the HTaO3 framework, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 32–47°. There are a spread of Ta–O bond distances ranging from 1.94–2.10 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ta5+ and one H1+ atom.
- Publication Date:
- Other Number(s):
- mp-625886
- 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; H-O-Ta; Ta2H4O7; crystal structure
- OSTI Identifier:
- 1278504
- DOI:
- https://doi.org/10.17188/1278504
Citation Formats
Materials Data on Ta2H4O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278504.
Materials Data on Ta2H4O7 by Materials Project. United States. doi:https://doi.org/10.17188/1278504
2020.
"Materials Data on Ta2H4O7 by Materials Project". United States. doi:https://doi.org/10.17188/1278504. https://www.osti.gov/servlets/purl/1278504. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1278504,
title = {Materials Data on Ta2H4O7 by Materials Project},
abstractNote = {H4OTa2O6 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional and consists of eight water molecules and one HTaO3 framework. In the HTaO3 framework, Ta5+ is bonded to six O2- atoms to form corner-sharing TaO6 octahedra. The corner-sharing octahedra tilt angles range from 32–47°. There are a spread of Ta–O bond distances ranging from 1.94–2.10 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Ta5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Ta5+ and one H1+ atom.},
doi = {10.17188/1278504},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}