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Materials Data on Sr(YbS2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1282705· OSTI ID:1282705
Sr(YbS2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.00 Å) and four longer (3.20 Å) Sr–S bond lengths. Yb3+ is bonded to eight equivalent S2- atoms to form a mixture of distorted face, edge, and corner-sharing YbS8 hexagonal bipyramids. There are a spread of Yb–S bond distances ranging from 2.82–2.98 Å. S2- is bonded in a 6-coordinate geometry to two equivalent Sr2+ and four equivalent Yb3+ 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:
1282705
Report Number(s):
mp-675445
Country of Publication:
United States
Language:
English

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