Materials Data on Sm10S19 by Materials Project
Sm10S19 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to eight S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.83–3.07 Å. In the second Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.87–3.13 Å. In the third Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to nine S+1.58- atoms. There are a spread of Sm–S bond distances ranging from 2.86–2.95 Å. There are six inequivalent S+1.58- sites. In the first S+1.58- site, S+1.58- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the second S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to five Sm3+ atoms. In the third S+1.58- site, S+1.58- is bonded to five Sm3+ atoms to form a mixture of distorted corner and edge-sharing SSm5 trigonal bipyramids. In the fourth S+1.58- site, S+1.58- is bonded in a 4-coordinate geometry to four equivalent Sm3+ atoms. In the fifth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Sm3+ and one S+1.58- atom. The S–S bond length is 2.17 Å. In the sixth S+1.58- site, S+1.58- is bonded in a 5-coordinate geometry to four Sm3+ and one S+1.58- atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1187188
- Report Number(s):
- mp-10534
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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