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Materials Data on MgSn2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1683298· OSTI ID:1683298
MgSn2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two MgSn2 sheets oriented in the (0, 1, 0) direction. Mg is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.04–3.29 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to two equivalent Mg atoms.
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:
1683298
Report Number(s):
mp-1094235
Country of Publication:
United States
Language:
English

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