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DOE OSTI · 1752429

Materials Data on SmCO4 by Materials Project

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Abstract

SmCO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Sm–O bond distances ranging from 2.35–2.75 Å. C is bonded in a trigonal planar geometry to three O atoms. There is one shorter (1.28 Å) and two longer (1.30 Å) C–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Sm atoms. In the second O site, O is bonded in a distorted single-bond geometry to two equivalent Sm and one C atom. In the third O site, O is bonded in a distorted single-bond geometry to three equivalent Sm and one C atom.

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36 MATERIALS SCIENCEC-O-Smcrystal structureSmCO4

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2020-05-03. Materials Data on SmCO4 by Materials Project. https://doi.org/10.17188/1752429

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