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DOE OSTI · 1751838

Materials Data on Pt(NCl)4 by Materials Project

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Abstract

Pt(NCl)4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Pt(NCl)4 sheets oriented in the (0, 0, 1) direction. Pt2+ is bonded in an octahedral geometry to four equivalent N+0.50+ and two equivalent Cl1- atoms. All Pt–N bond lengths are 1.96 Å. Both Pt–Cl bond lengths are 2.40 Å. N+0.50+ is bonded in a distorted T-shaped geometry to one Pt2+ and two equivalent Cl1- atoms. Both N–Cl bond lengths are 2.13 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a square co-planar geometry to four equivalent N+0.50+ atoms.

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36 MATERIALS SCIENCECl-N-Ptcrystal structurePt(NCl)4

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2020-05-03. Materials Data on Pt(NCl)4 by Materials Project. https://doi.org/10.17188/1751838

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