U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho3(CuSi)4 by Materials Project
Abstract
Ho3Cu4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (2.94 Å) and four longer (2.97 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Si4- atoms to form edge-sharing HoSi6 octahedra. There are four shorter (2.91 Å) and two longer (2.95 Å) Ho–Si bond lengths. Cu+1.75+ is bonded in a 4-coordinate geometry to one Cu+1.75+ and four Si4- atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Si bond distances ranging from 2.44–2.56 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six Ho3+, two equivalent Cu+1.75+, and one Si4- atom. The Si–Si bond length is 2.42 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three Ho3+ and six equivalent Cu+1.75+ atoms.
- Publication Date:
- Other Number(s):
- mp-31423
- 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; crystal structure; Cu-Ho-Si; Ho3(CuSi)4
- OSTI Identifier:
- 1205649
- DOI:
- https://doi.org/10.17188/1205649
Citation Formats
Materials Data on Ho3(CuSi)4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205649.
Materials Data on Ho3(CuSi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1205649
2020.
"Materials Data on Ho3(CuSi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1205649. https://www.osti.gov/servlets/purl/1205649. Pub date:Tue Jul 14 20:00:00 EDT 2020
@article{osti_1205649,
title = {Materials Data on Ho3(CuSi)4 by Materials Project},
abstractNote = {Ho3Cu4Si4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are two shorter (2.94 Å) and four longer (2.97 Å) Ho–Si bond lengths. In the second Ho3+ site, Ho3+ is bonded to six Si4- atoms to form edge-sharing HoSi6 octahedra. There are four shorter (2.91 Å) and two longer (2.95 Å) Ho–Si bond lengths. Cu+1.75+ is bonded in a 4-coordinate geometry to one Cu+1.75+ and four Si4- atoms. The Cu–Cu bond length is 2.50 Å. There are a spread of Cu–Si bond distances ranging from 2.44–2.56 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six Ho3+, two equivalent Cu+1.75+, and one Si4- atom. The Si–Si bond length is 2.42 Å. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three Ho3+ and six equivalent Cu+1.75+ atoms.},
doi = {10.17188/1205649},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}