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DOE OSTI · 1730088

Materials Data on TmCO4 by Materials Project

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Abstract

TmCO4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Tm is bonded to eight O atoms to form a mixture of distorted corner and edge-sharing TmO8 hexagonal bipyramids. There are a spread of Tm–O bond distances ranging from 2.20–2.56 Å. C is bonded in a trigonal planar geometry to three O atoms. All C–O bond lengths are 1.29 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to two equivalent Tm and one C atom. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Tm atoms. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Tm and one C atom.

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36 MATERIALS SCIENCEC-O-Tmcrystal structureTmCO4

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2020-04-29. Materials Data on TmCO4 by Materials Project. https://doi.org/10.17188/1730088

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36 MATERIALS SCIENCE↗