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Materials Data on K(MoSe)3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1729100· OSTI ID:1729100
K(MoSe)3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine equivalent Se atoms. There are three shorter (3.50 Å) and six longer (3.53 Å) K–Se bond lengths. Mo is bonded in a distorted see-saw-like geometry to four equivalent Se atoms. There are two shorter (2.65 Å) and two longer (2.73 Å) Mo–Se bond lengths. Se is bonded to three equivalent K and four equivalent Mo atoms to form a mixture of distorted edge, face, and corner-sharing SeK3Mo4 hexagonal pyramids.
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:
1729100
Report Number(s):
mp-1104242
Country of Publication:
United States
Language:
English

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