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Title: Materials Data on Mn3IrN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1198745· OSTI ID:1198745

Mn3IrN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mn is bonded in a linear geometry to four equivalent Ir and two equivalent N atoms. All Mn–Ir bond lengths are 2.76 Å. Both Mn–N bond lengths are 1.95 Å. Ir is bonded to twelve equivalent Mn atoms to form IrMn12 cuboctahedra that share corners with twelve equivalent IrMn12 cuboctahedra, faces with six equivalent IrMn12 cuboctahedra, and faces with eight equivalent NMn6 octahedra. N is bonded to six equivalent Mn atoms to form NMn6 octahedra that share corners with six equivalent NMn6 octahedra and faces with eight equivalent IrMn12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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:
1198745
Report Number(s):
mp-22502
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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