U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KTa(GeO3)3 by Materials Project
Abstract
KTa(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.97 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ta–O bond lengths are 1.99 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ta5+, and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-540631
- 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; Ge-K-O-Ta; KTa(GeO3)3; crystal structure
- OSTI Identifier:
- 1264491
- DOI:
- https://doi.org/10.17188/1264491
Citation Formats
Materials Data on KTa(GeO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264491.
Materials Data on KTa(GeO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1264491
2020.
"Materials Data on KTa(GeO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1264491. https://www.osti.gov/servlets/purl/1264491. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1264491,
title = {Materials Data on KTa(GeO3)3 by Materials Project},
abstractNote = {KTa(GeO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All K–O bond lengths are 2.97 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ta–O bond lengths are 1.99 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TaO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 42°. There is two shorter (1.75 Å) and two longer (1.78 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Ge4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one K1+, one Ta5+, and one Ge4+ atom.},
doi = {10.17188/1264491},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}