U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2Ti(GeO3)3 by Materials Project
Abstract
Cs2Ti(GeO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.28 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 1.98 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Ti4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+ and two equivalent Ge4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-16805
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cs2Ti(GeO3)3; Cs-Ge-O-Ti
- OSTI Identifier:
- 1192181
- DOI:
- https://doi.org/10.17188/1192181
Citation Formats
The Materials Project. Materials Data on Cs2Ti(GeO3)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192181.
The Materials Project. Materials Data on Cs2Ti(GeO3)3 by Materials Project. United States. doi:https://doi.org/10.17188/1192181
The Materials Project. 2020.
"Materials Data on Cs2Ti(GeO3)3 by Materials Project". United States. doi:https://doi.org/10.17188/1192181. https://www.osti.gov/servlets/purl/1192181. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1192181,
title = {Materials Data on Cs2Ti(GeO3)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs2Ti(GeO3)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.16–3.28 Å. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent GeO4 tetrahedra. All Ti–O bond lengths are 1.98 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent TiO6 octahedra and corners with two equivalent GeO4 tetrahedra. The corner-sharing octahedral tilt angles are 36°. There are a spread of Ge–O bond distances ranging from 1.74–1.82 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Cs1+, one Ti4+, and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Cs1+ and two equivalent Ge4+ atoms.},
doi = {10.17188/1192181},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}