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DOE OSTI · 1711197

Materials Data on ThCoSi2 by Materials Project

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Abstract

ThCoSi2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten Si4- atoms. There are a spread of Th–Si bond distances ranging from 3.10–3.20 Å. Co4+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Co–Si bond distances ranging from 2.28–2.36 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Th4+, one Co4+, and two equivalent Si4- atoms. Both Si–Si bond lengths are 2.45 Å. In the second Si4- site, Si4- is bonded in a 8-coordinate geometry to four equivalent Th4+ and four equivalent Co4+ atoms.

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36 MATERIALS SCIENCECo-Si-Thcrystal structureThCoSi2

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2020-05-03. Materials Data on ThCoSi2 by Materials Project. https://doi.org/10.17188/1711197

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