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Materials Data on Yb2(GePt3)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1676000· OSTI ID:1676000
Yb2(Pt3Ge)3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Yb3+ is bonded in a 11-coordinate geometry to eleven Pt2- atoms. There are a spread of Yb–Pt bond distances ranging from 2.95–3.20 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Yb3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.54–2.69 Å. In the second Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Yb3+ and two Ge4+ atoms. There are one shorter (2.46 Å) and one longer (2.49 Å) Pt–Ge bond lengths. In the third Pt2- site, Pt2- is bonded in a 12-coordinate geometry to three equivalent Yb3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.71 Å. In the fourth Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent Yb3+ and two equivalent Ge4+ atoms. Both Pt–Ge bond lengths are 2.48 Å. In the fifth Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Yb3+ and three Ge4+ atoms. There are a spread of Pt–Ge bond distances ranging from 2.63–2.87 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded in a distorted hexagonal bipyramidal geometry to eight Pt2- atoms. In the second Ge4+ site, Ge4+ is bonded in a 8-coordinate geometry to eight Pt2- 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:
1676000
Report Number(s):
mp-1207679
Country of Publication:
United States
Language:
English

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