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Materials Data on CsGd by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1653269· OSTI ID:1653269
CsGd is alpha Samarium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Cs is bonded to six equivalent Cs and six equivalent Gd atoms to form CsCs6Gd6 cuboctahedra that share corners with eighteen equivalent CsCs6Gd6 cuboctahedra, edges with six equivalent CsCs6Gd6 cuboctahedra, edges with twelve equivalent GdCs6Gd6 cuboctahedra, faces with eight equivalent CsCs6Gd6 cuboctahedra, and faces with twelve equivalent GdCs6Gd6 cuboctahedra. All Cs–Cs bond lengths are 3.95 Å. All Cs–Gd bond lengths are 4.39 Å. Gd is bonded to six equivalent Cs and six equivalent Gd atoms to form GdCs6Gd6 cuboctahedra that share corners with eighteen equivalent GdCs6Gd6 cuboctahedra, edges with six equivalent GdCs6Gd6 cuboctahedra, edges with twelve equivalent CsCs6Gd6 cuboctahedra, faces with eight equivalent GdCs6Gd6 cuboctahedra, and faces with twelve equivalent CsCs6Gd6 cuboctahedra. All Gd–Gd bond lengths are 3.95 Å.
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:
1653269
Report Number(s):
mp-1185562
Country of Publication:
United States
Language:
English

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