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Materials Data on K3Hf by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1685268· OSTI ID:1685268
K3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Hf atoms to form distorted KK8Hf4 cuboctahedra that share corners with twelve equivalent KK8Hf4 cuboctahedra, edges with eight equivalent HfK12 cuboctahedra, edges with sixteen equivalent KK8Hf4 cuboctahedra, faces with four equivalent HfK12 cuboctahedra, and faces with fourteen equivalent KK8Hf4 cuboctahedra. All K–K bond lengths are 4.09 Å. All K–Hf bond lengths are 4.09 Å. Hf is bonded to twelve equivalent K atoms to form HfK12 cuboctahedra that share corners with twelve equivalent HfK12 cuboctahedra, edges with twenty-four equivalent KK8Hf4 cuboctahedra, faces with six equivalent HfK12 cuboctahedra, and faces with twelve equivalent KK8Hf4 cuboctahedra.
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:
1685268
Report Number(s):
mp-1184868
Country of Publication:
United States
Language:
English

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