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DOE OSTI · 1747676

Materials Data on La2ZnAs4 by Materials Project

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Abstract

La2ZnAs4 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight As2- atoms. There are a spread of La–As bond distances ranging from 3.07–3.23 Å. Zn2+ is bonded to four equivalent As2- atoms to form corner-sharing ZnAs4 tetrahedra. All Zn–As bond lengths are 2.54 Å. There are two inequivalent As2- sites. In the first As2- site, As2- is bonded in a 6-coordinate geometry to four equivalent La3+ and two equivalent Zn2+ atoms. In the second As2- site, As2- is bonded in a distorted body-centered cubic geometry to four equivalent La3+ and four equivalent As2- atoms. All As–As bond lengths are 2.85 Å.

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36 MATERIALS SCIENCEAs-La-Zncrystal structureLa2ZnAs4

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2020-05-02. Materials Data on La2ZnAs4 by Materials Project. https://doi.org/10.17188/1747676

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