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Title: Materials Data on Mg2H6Os by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1280232· OSTI ID:1280232

Mg2OsH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H+0.33- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent OsH6 octahedra. All Mg–H bond lengths are 2.36 Å. Os2- is bonded to six equivalent H+0.33- atoms to form OsH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Os–H bond lengths are 1.70 Å. H+0.33- is bonded to four equivalent Mg2+ and one Os2- atom to form a mixture of corner, edge, and face-sharing HMg4Os square pyramids.

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:
1280232
Report Number(s):
mp-643002
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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