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Materials Data on GdZnGe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1189424· OSTI ID:1189424
GdZnGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Ge atoms. All Gd–Zn bond lengths are 2.96 Å. All Gd–Ge bond lengths are 3.29 Å. In the second Gd site, Gd is bonded to six equivalent Ge atoms to form distorted edge-sharing GdGe6 octahedra. All Gd–Ge bond lengths are 3.06 Å. Zn is bonded in a 6-coordinate geometry to three equivalent Gd and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.53 Å. Ge is bonded in a 6-coordinate geometry to six Gd and three equivalent Zn 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:
1189424
Report Number(s):
mp-13159
Country of Publication:
United States
Language:
English

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