Table 1 Ge0.867Mn0.133Te R3mR (No. 160) space group crystal structure with atomic positions and occupancies

From: Efficient magnetic switching in a correlated spin glass

Ge0.867Mn0.133Te

space group: R3mR (No. 160), a = 4.234Å, α = 59.07°

Wyckoff sites with atomic positions

Atomic occupancies

1a (0.534,0.534,0.534)

0.911Ge + 0.089Mns

1a (0.0,0.0,0.0)

Te

1a (0.250, 0.250, 0.250)

0.978Es + 0.022Mn2

1a (0.764, 0.764, 0.764)

0.978Es + 0.022Mn3

  1. Es represents empty spheres used in the CPA formalism, Mni with two atomic positions (Mn2,Mn3) occupying allowed Wyckoff positions of R3mR space group. The atomic distribution of Mn atoms as substitutional (Mns; 67%) and interstitial (Mn2,Mn3; 33%) were obtained from NEXAFS measurements summarised in Supplementary Fig. 1c.
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