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DOE OSTI2020

Materials Data on Mn3Al by Materials Project

Mn3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Mn–Mn bond lengths are 2.48 Å. All Mn–Al bond lengths are 2.48 Å. In the second Mn site, Mn is bonded in a distorted body-centered cubic geometry to eight equivalent Mn and six equivalent Al atoms. All Mn–Al bond lengths are 2.86 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Mn3Al(SiO4)3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗