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DOE OSTI · 1281788

Materials Data on Mn3ZnC by Materials Project

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Abstract

Mn3ZnC is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional and consists of one methane molecule and one Mn3Zn framework. In the Mn3Zn framework, there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.30 Å. In the second Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.30 Å. In the third Mn site, Mn is bonded in a linear geometry to two equivalent Zn atoms. Both Mn–Zn bond lengths are 2.29 Å. Zn is bonded to six Mn atoms to form corner-sharing ZnMn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEC-Mn-Zncrystal structureMn3ZnC

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2020-07-23. Materials Data on Mn3ZnC by Materials Project. https://doi.org/10.17188/1281788

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