U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ho(CuS)2 by Materials Project
Abstract
Ho(CuS)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded to six equivalent S atoms to form distorted HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.82 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–54°. There are three shorter (2.33 Å) and one longer (2.49 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Ho and four equivalent Cu atoms.
- Publication Date:
- Other Number(s):
- mp-1018632
- 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-Ho-S; Ho(CuS)2; crystal structure
- OSTI Identifier:
- 1350348
- DOI:
- https://doi.org/10.17188/1350348
Citation Formats
Materials Data on Ho(CuS)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350348.
Materials Data on Ho(CuS)2 by Materials Project. United States. doi:https://doi.org/10.17188/1350348
2020.
"Materials Data on Ho(CuS)2 by Materials Project". United States. doi:https://doi.org/10.17188/1350348. https://www.osti.gov/servlets/purl/1350348. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350348,
title = {Materials Data on Ho(CuS)2 by Materials Project},
abstractNote = {Ho(CuS)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ho is bonded to six equivalent S atoms to form distorted HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with six equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.82 Å. Cu is bonded to four equivalent S atoms to form distorted CuS4 tetrahedra that share corners with six equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 24–54°. There are three shorter (2.33 Å) and one longer (2.49 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Ho and four equivalent Cu atoms.},
doi = {10.17188/1350348},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}