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DOE OSTI · 1314727

Materials Data on RbZn4As3 by Materials Project

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Abstract

RbZn4As3 is Fluorite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a body-centered cubic geometry to eight equivalent As3- atoms. All Rb–As bond lengths are 3.69 Å. Zn2+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing ZnAs4 tetrahedra. There are two shorter (2.52 Å) and two longer (2.68 Å) Zn–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Zn2+ atoms. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Rb1+ and four equivalent Zn2+ atoms.

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36 MATERIALS SCIENCEAs-Rb-Zncrystal structureRbZn4As3

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2020-07-16. Materials Data on RbZn4As3 by Materials Project. https://doi.org/10.17188/1314727

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