U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V4GeSe8 by Materials Project
Abstract
V4GeSe8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. V3+ is bonded to six Se2- atoms to form distorted VSe6 octahedra that share corners with three equivalent GeSe4 tetrahedra and edges with six equivalent VSe6 octahedra. There are three shorter (2.43 Å) and three longer (2.70 Å) V–Se bond lengths. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with twelve equivalent VSe6 octahedra. The corner-sharing octahedral tilt angles are 66°. All Ge–Se bond lengths are 2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent V3+ atoms. In the second Se2- site, Se2- is bonded to three equivalent V3+ and one Ge4+ atom to form a mixture of corner and edge-sharing SeV3Ge tetrahedra.
- Publication Date:
- Other Number(s):
- mp-8689
- 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-Se-V; V4GeSe8; crystal structure
- OSTI Identifier:
- 1312585
- DOI:
- https://doi.org/10.17188/1312585
Citation Formats
Materials Data on V4GeSe8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312585.
Materials Data on V4GeSe8 by Materials Project. United States. doi:https://doi.org/10.17188/1312585
2020.
"Materials Data on V4GeSe8 by Materials Project". United States. doi:https://doi.org/10.17188/1312585. https://www.osti.gov/servlets/purl/1312585. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1312585,
title = {Materials Data on V4GeSe8 by Materials Project},
abstractNote = {V4GeSe8 crystallizes in the cubic F-43m space group. The structure is three-dimensional. V3+ is bonded to six Se2- atoms to form distorted VSe6 octahedra that share corners with three equivalent GeSe4 tetrahedra and edges with six equivalent VSe6 octahedra. There are three shorter (2.43 Å) and three longer (2.70 Å) V–Se bond lengths. Ge4+ is bonded to four equivalent Se2- atoms to form GeSe4 tetrahedra that share corners with twelve equivalent VSe6 octahedra. The corner-sharing octahedral tilt angles are 66°. All Ge–Se bond lengths are 2.47 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 3-coordinate geometry to three equivalent V3+ atoms. In the second Se2- site, Se2- is bonded to three equivalent V3+ and one Ge4+ atom to form a mixture of corner and edge-sharing SeV3Ge tetrahedra.},
doi = {10.17188/1312585},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}