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DOE OSTI · 1742677

Materials Data on CaZn(CO3)2 by Materials Project

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Abstract

CaZn(CO3)2 is Calcite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent O2- atoms to form CaO6 octahedra that share corners with six equivalent ZnO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Ca–O bond lengths are 2.40 Å. Zn2+ is bonded to six equivalent O2- atoms to form ZnO6 octahedra that share corners with six equivalent CaO6 octahedra. The corner-sharing octahedral tilt angles are 61°. All Zn–O bond lengths are 2.13 Å. C4+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All C–O bond lengths are 1.30 Å. O2- is bonded in a distorted trigonal planar geometry to one Ca2+, one Zn2+, and one C4+ atom.

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36 MATERIALS SCIENCEC-Ca-O-ZnCaZn(CO3)2crystal structure

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2020-05-03. Materials Data on CaZn(CO3)2 by Materials Project. https://doi.org/10.17188/1742677

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