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Title: Materials Data on Mn3Ir by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1310114· OSTI ID:1310114

Mn3Ir is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to eight equivalent Mn and four equivalent Ir atoms. There are a spread of Mn–Mn bond distances ranging from 2.43–2.74 Å. There are two shorter (2.57 Å) and two longer (2.59 Å) Mn–Ir bond lengths. Ir is bonded to twelve equivalent Mn atoms to form a mixture of face and corner-sharing IrMn12 cuboctahedra.

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:
1310114
Report Number(s):
mp-864735
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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