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DOE OSTI · 1759412

Materials Data on Y(CO2)4 by Materials Project

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Abstract

Y(CO2)4 crystallizes in the tetragonal P4/n space group. The structure is two-dimensional and consists of one Y(CO2)4 sheet oriented in the (0, 0, 1) direction. Y3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.29 Å) and four longer (2.46 Å) Y–O bond lengths. C+3.25+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Y3+ and one C+3.25+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Y3+ and one C+3.25+ atom.

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36 MATERIALS SCIENCEC-O-Ycrystal structureY(CO2)4

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2020-09-03. Materials Data on Y(CO2)4 by Materials Project. https://doi.org/10.17188/1759412

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36 MATERIALS SCIENCE↗