Materials Data on MnFeSeS by Materials Project
MnFeSeS is High Pressure (4-7GPa) Tellurium-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Mn2+ is bonded in a 6-coordinate geometry to three equivalent Se2- and three equivalent S2- atoms. All Mn–Se bond lengths are 2.71 Å. All Mn–S bond lengths are 2.17 Å. Fe2+ is bonded in a 6-coordinate geometry to three equivalent Se2- and three equivalent S2- atoms. All Fe–Se bond lengths are 2.72 Å. All Fe–S bond lengths are 2.19 Å. Se2- is bonded to three equivalent Mn2+ and three equivalent Fe2+ atoms to form distorted edge-sharing SeMn3Fe3 octahedra. S2- is bonded in a 6-coordinate geometry to three equivalent Mn2+ and three equivalent Fe2+ atoms.
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