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Title: Materials Data on Mn3GaN by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1278884· OSTI ID:1278884

Mn3GaN 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 Ga and two equivalent N atoms. All Mn–Ga bond lengths are 2.67 Å. Both Mn–N bond lengths are 1.89 Å. Ga is bonded to twelve equivalent Mn atoms to form GaMn12 cuboctahedra that share corners with twelve equivalent GaMn12 cuboctahedra, faces with six equivalent GaMn12 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 GaMn12 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:
1278884
Report Number(s):
mp-627439
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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