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Materials Data on EuS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1720729· OSTI ID:1720729
EuS2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Eu–S bond distances ranging from 2.83–3.32 Å. In the second Eu3+ site, Eu3+ is bonded in a 9-coordinate geometry to nine S+1.50- atoms. There are a spread of Eu–S bond distances ranging from 2.84–3.32 Å. There are four inequivalent S+1.50- sites. In the first S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four Eu3+ and one S+1.50- atom. The S–S bond length is 2.08 Å. In the second S+1.50- site, S+1.50- is bonded in a 5-coordinate geometry to four Eu3+ and one S+1.50- atom. The S–S bond length is 2.08 Å. In the third S+1.50- site, S+1.50- is bonded to five Eu3+ atoms to form a mixture of distorted corner and edge-sharing SEu5 trigonal bipyramids. In the fourth S+1.50- site, S+1.50- is bonded to five Eu3+ atoms to form a mixture of distorted corner and edge-sharing SEu5 trigonal bipyramids.
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:
1720729
Report Number(s):
mp-1232155
Country of Publication:
United States
Language:
English

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