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DOE OSTI · 1201217

Materials Data on Mn3As by Materials Project

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Abstract

Mn3As crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two Mn3As sheets oriented in the (0, 1, 0) direction. there are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a distorted L-shaped geometry to two equivalent As atoms. Both Mn–As bond lengths are 2.45 Å. In the second Mn site, Mn is bonded in a 2-coordinate geometry to two equivalent As atoms. Both Mn–As bond lengths are 2.49 Å. In the third Mn site, Mn is bonded to five equivalent As atoms to form a mixture of distorted edge and corner-sharing MnAs5 square pyramids. There are one shorter (2.49 Å) and four longer (2.61 Å) Mn–As bond lengths. As is bonded in a 9-coordinate geometry to nine Mn atoms.

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36 MATERIALS SCIENCEAs-Mncrystal structureMn3As

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2020-07-16. Materials Data on Mn3As by Materials Project. https://doi.org/10.17188/1201217

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