U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2CuSb3 by Materials Project
Abstract
Hf2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hf4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Hf–Sb bond distances ranging from 2.94–3.09 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.77 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Hf4+ and four equivalent Cu1+ atoms to form a mixture of distorted face and corner-sharing SbHf4Cu4 hexagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Hf4+ atoms.
- Publication Date:
- Other Number(s):
- mp-19928
- 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; Cu-Hf-Sb; Hf2CuSb3; crystal structure
- OSTI Identifier:
- 1195113
- DOI:
- https://doi.org/10.17188/1195113
Citation Formats
Materials Data on Hf2CuSb3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195113.
Materials Data on Hf2CuSb3 by Materials Project. United States. doi:https://doi.org/10.17188/1195113
2020.
"Materials Data on Hf2CuSb3 by Materials Project". United States. doi:https://doi.org/10.17188/1195113. https://www.osti.gov/servlets/purl/1195113. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1195113,
title = {Materials Data on Hf2CuSb3 by Materials Project},
abstractNote = {Hf2CuSb3 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hf4+ is bonded in a 7-coordinate geometry to seven Sb3- atoms. There are a spread of Hf–Sb bond distances ranging from 2.94–3.09 Å. Cu1+ is bonded in a square co-planar geometry to four equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.77 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to four equivalent Hf4+ and four equivalent Cu1+ atoms to form a mixture of distorted face and corner-sharing SbHf4Cu4 hexagonal bipyramids. In the second Sb3- site, Sb3- is bonded in a 5-coordinate geometry to five equivalent Hf4+ atoms.},
doi = {10.17188/1195113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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