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DOE OSTI · 1282012

Materials Data on CaZnSO by Materials Project

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Abstract

CaZnOS crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- and three equivalent O2- atoms. All Ca–S bond lengths are 3.08 Å. All Ca–O bond lengths are 2.29 Å. Zn2+ is bonded to three equivalent S2- and one O2- atom to form corner-sharing ZnS3O tetrahedra. All Zn–S bond lengths are 2.38 Å. The Zn–O bond length is 1.93 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Ca2+ and three equivalent Zn2+ atoms. O2- is bonded to three equivalent Ca2+ and one Zn2+ atom to form corner-sharing OCa3Zn tetrahedra.

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36 MATERIALS SCIENCECa-O-S-ZnCaZnSOcrystal structure

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2020-07-16. Materials Data on CaZnSO by Materials Project. https://doi.org/10.17188/1282012

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