Materials Data on LuS2 by Materials Project
LuS2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Lu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are five shorter (2.79 Å) and four longer (2.86 Å) Lu–S bond lengths. There are two inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded to five equivalent Lu3+ atoms to form a mixture of distorted edge and corner-sharing SLu5 trigonal bipyramids. In the second S+1.50- site, S+1.50- is bonded in a 8-coordinate geometry to four equivalent Lu3+ and four equivalent S+1.50- atoms. All S–S bond lengths are 2.68 Å.
- 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:
- 1350433
- Report Number(s):
- mp-1018792
- Country of Publication:
- United States
- Language:
- English
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