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Title: Materials Data on Ho(CoGe)6 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1726609· OSTI ID:1726609

Ho(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Co and eight Ge atoms to form distorted HoCo12Ge8 hexagonal bipyramids that share faces with twenty-four equivalent CoHo2Co4Ge6 cuboctahedra and faces with six equivalent HoCo12Ge8 hexagonal bipyramids. All Ho–Co bond lengths are 3.22 Å. There are two shorter (2.71 Å) and six longer (2.94 Å) Ho–Ge bond lengths. Co is bonded to two equivalent Ho, four equivalent Co, and six Ge atoms to form distorted CoHo2Co4Ge6 cuboctahedra that share corners with fourteen equivalent CoHo2Co4Ge6 cuboctahedra, edges with seven equivalent CoHo2Co4Ge6 cuboctahedra, faces with nine equivalent CoHo2Co4Ge6 cuboctahedra, and faces with four equivalent HoCo12Ge8 hexagonal bipyramids. All Co–Co bond lengths are 2.54 Å. There are a spread of Co–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Ho and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Ho, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.45 Å.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1726609
Report Number(s):
mp-1104175
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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