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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mn3Te by Materials Project

Mn3Te 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 to four equivalent Mn and four equivalent Te atoms to form a mixture of distorted edge, corner, and face-sharing MnMn4Te4 tetrahedra. All Mn–Mn bond lengths are 2.59 Å. All Mn–Te bond lengths are 2.59 Å. In the second Mn site, Mn is bonded in a 8-coordinate geometry to eight equivalent Mn and six equivalent Te atoms. All Mn–Te bond lengths are 2.99 Å. Te is bonded in a distorted body-centered cubic geometry to fourteen Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mn3Te by Materials Project

Mn3Te is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to eight equivalent Mn and four equivalent Te atoms. There are a spread of Mn–Mn bond distances ranging from 2.48–2.96 Å. There are two shorter (2.72 Å) and two longer (2.77 Å) Mn–Te bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to eight equivalent Mn and four equivalent Te atoms. There are a spread of Mn–Mn bond distances ranging from 2.48–2.96 Å. There are two shorter (2.72 Å) and two longer (2.77 Å) Mn–Te bond lengths. Te is bonded to twelve Mn atoms to form a mixture of face and corner-sharing TeMn12 cuboctahedra.

36 MATERIALS SCIENCE↗