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DOE OSTI · 1747845

Materials Data on In4H12C15O31 by Materials Project

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Abstract

(In(OCHO)3)8(CO2)6O2 crystallizes in the cubic Im-3 space group. The structure is three-dimensional and consists of six carbon dioxide molecules, two water molecules, and one In(OCHO)3 framework. In the In(OCHO)3 framework, In3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All In–O bond lengths are 2.18 Å. C+2.53+ is bonded in a trigonal planar geometry to one H1+ and two equivalent O2- atoms. The C–H bond length is 1.11 Å. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one C+2.53+ atom. O2- is bonded in a bent 120 degrees geometry to one In3+ and one C+2.53+ atom.

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36 MATERIALS SCIENCEC-H-In-Ocrystal structureIn4H12C15O31

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2020-04-30. Materials Data on In4H12C15O31 by Materials Project. https://doi.org/10.17188/1747845

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36 MATERIALS SCIENCE↗