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Title: Materials Data on Tm5Mg24 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1195115· OSTI ID:1195115

Tm5Mg24 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and four Tm atoms. There are a spread of Mg–Mg bond distances ranging from 2.86–3.40 Å. There are a spread of Mg–Tm bond distances ranging from 3.44–3.57 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to eleven Mg and two equivalent Tm atoms. There are two shorter (3.30 Å) and four longer (3.34 Å) Mg–Mg bond lengths. There are one shorter (3.22 Å) and one longer (3.66 Å) Mg–Tm bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to fifteen Mg and one Tm atom. The Tm–Tm bond length is 3.61 Å. In the second Tm site, Tm is bonded in a 12-coordinate geometry to twelve equivalent Mg and four equivalent Tm atoms.

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:
1195115
Report Number(s):
mp-1993
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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