U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2V3Cu by Materials Project
Abstract
Ta2V3Cu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to four equivalent Ta, nine equivalent V, and three equivalent Cu atoms. There are three shorter (3.02 Å) and one longer (3.20 Å) Ta–Ta bond lengths. There are three shorter (2.93 Å) and six longer (2.95 Å) Ta–V bond lengths. All Ta–Cu bond lengths are 2.90 Å. V is bonded to six equivalent Ta, four equivalent V, and two equivalent Cu atoms to form distorted VTa6V4Cu2 cuboctahedra that share corners with four equivalent CuTa6V6 cuboctahedra, corners with fourteen equivalent VTa6V4Cu2 cuboctahedra, edges with six equivalent VTa6V4Cu2 cuboctahedra, faces with six equivalent CuTa6V6 cuboctahedra, and faces with twelve equivalent VTa6V4Cu2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.58 Å) V–V bond lengths. Both V–Cu bond lengths are 2.57 Å. Cu is bonded to six equivalent Ta and six equivalent V atoms to form CuTa6V6 cuboctahedra that share corners with twelve equivalent VTa6V4Cu2 cuboctahedra, edges with six equivalent CuTa6V6 cuboctahedra, faces with two equivalent CuTa6V6 cuboctahedra, and faces with eighteen equivalent VTa6V4Cu2 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218034
- 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; Ta2V3Cu; Cu-Ta-V
- OSTI Identifier:
- 1663637
- DOI:
- https://doi.org/10.17188/1663637
Citation Formats
The Materials Project. Materials Data on Ta2V3Cu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1663637.
The Materials Project. Materials Data on Ta2V3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1663637
The Materials Project. 2020.
"Materials Data on Ta2V3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1663637. https://www.osti.gov/servlets/purl/1663637. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1663637,
title = {Materials Data on Ta2V3Cu by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2V3Cu crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to four equivalent Ta, nine equivalent V, and three equivalent Cu atoms. There are three shorter (3.02 Å) and one longer (3.20 Å) Ta–Ta bond lengths. There are three shorter (2.93 Å) and six longer (2.95 Å) Ta–V bond lengths. All Ta–Cu bond lengths are 2.90 Å. V is bonded to six equivalent Ta, four equivalent V, and two equivalent Cu atoms to form distorted VTa6V4Cu2 cuboctahedra that share corners with four equivalent CuTa6V6 cuboctahedra, corners with fourteen equivalent VTa6V4Cu2 cuboctahedra, edges with six equivalent VTa6V4Cu2 cuboctahedra, faces with six equivalent CuTa6V6 cuboctahedra, and faces with twelve equivalent VTa6V4Cu2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.58 Å) V–V bond lengths. Both V–Cu bond lengths are 2.57 Å. Cu is bonded to six equivalent Ta and six equivalent V atoms to form CuTa6V6 cuboctahedra that share corners with twelve equivalent VTa6V4Cu2 cuboctahedra, edges with six equivalent CuTa6V6 cuboctahedra, faces with two equivalent CuTa6V6 cuboctahedra, and faces with eighteen equivalent VTa6V4Cu2 cuboctahedra.},
doi = {10.17188/1663637},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}