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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pt(NCl)4 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtRh2(NCl)10 by Materials Project

(RhCl)2Pt(N2Cl3)2(N2)2(NCl)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, two Pt(N2Cl3)2 clusters, and four RhCl clusters. In each Pt(N2Cl3)2 cluster, Pt2+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.34 Å) and two longer (2.35 Å) Pt–Cl bond lengths. N+0.20+ is bonded in a distorted water-like geometry to one Cl1- atom. The N–Cl bond length is 2.41 Å. There are three 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 single-bond geometry to one Pt2+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Pt2+ and two equivalent N+0.20+ atoms. In each RhCl cluster, Rh3+ is bonded in a 4-coordinate geometry to one Cl1- atom. The Rh–Cl bond length is 2.35 Å. Cl1- is bonded in a single-bond geometry to one Rh3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtN4Cl5O by Materials Project

(PtCl3)2N2(NO)2(NCl)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight chloramine molecules, four nitroxyl molecules, and four trichloroplatinum molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtN4Cl5O by Materials Project

(PtNOCl3)2N2(NCl)4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four ammonia molecules, eight chloramine molecules, and four PtNOCl3 clusters. In each PtNOCl3 cluster, Pt5+ is bonded in a T-shaped geometry to three Cl1- atoms. There are two shorter (2.34 Å) and one longer (2.38 Å) Pt–Cl bond lengths. N+0.50+ is bonded in a single-bond geometry to one O2- and one Cl1- atom. The N–O bond length is 1.14 Å. The N–Cl bond length is 2.50 Å. O2- is bonded in a single-bond geometry to one N+0.50+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Pt5+ and one N+0.50+ atom.

36 MATERIALS SCIENCE↗