Materials Data on Ca(HoS2)2 by Materials Project
Ca(HoS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (2.80 Å) and four longer (3.05 Å) Ca–S bond lengths. Ho3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing HoS8 hexagonal bipyramids. There are a spread of Ho–S bond distances ranging from 2.74–3.01 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Ho3+ 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:
- 1206696
- Report Number(s):
- mp-34011
- Country of Publication:
- United States
- Language:
- English
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