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DOE OSTI · 1291370

Materials Data on InH10N2Cl5O by Materials Project

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Abstract

(NH4)2InH2OCl5 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonium molecules and four InH2OCl5 clusters. In each InH2OCl5 cluster, In3+ is bonded in an octahedral geometry to one O2- and five Cl1- atoms. The In–O bond length is 2.28 Å. There are a spread of In–Cl bond distances ranging from 2.51–2.55 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted water-like geometry to one In3+ and two equivalent H1+ atoms. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one In3+ atom.

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36 MATERIALS SCIENCECl-H-In-N-Ocrystal structureInH10N2Cl5O

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2020-04-29. Materials Data on InH10N2Cl5O by Materials Project. https://doi.org/10.17188/1291370

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