Materials Data on Ho(CuS)3 by Materials Project
Ho(CuS)3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent S2- atoms to form HoS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent HoS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Ho–S bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent HoS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent HoS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are a spread of Cu–S bond distances ranging from 2.35–2.43 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ho3+ and four equivalent Cu1+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1734153
- Report Number(s):
- mp-1224178
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ho(CuS)3 by Materials Project
Materials Data on K2Ho4Cu4S9 by Materials Project
Materials Data on RbHo2Cu3S5 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1678530
Materials Data on K2Ho4Cu4S9 by Materials Project
Dataset
·
Sun Jan 04 23:00:00 EST 2015
·
OSTI ID:1283703
Materials Data on RbHo2Cu3S5 by Materials Project
Dataset
·
Wed Jul 15 00:00:00 EDT 2020
·
OSTI ID:1192782