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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Pt(NCl)2 by Materials Project

Pt(NCl)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two cis-diaminedichloroplatinum molecules. Pt2+ is bonded in a distorted rectangular see-saw-like geometry to two N and two Cl1- atoms. There is one shorter (1.77 Å) and one longer (1.78 Å) Pt–N bond length. There are one shorter (2.37 Å) and one longer (2.41 Å) Pt–Cl bond lengths. There are two inequivalent N sites. In the first N site, N is bonded in a single-bond geometry to one Pt2+ atom. In the second N site, N is bonded in a single-bond geometry to one Pt2+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(NCl2)2 by Materials Project

Pt(NCl2)2 is alpha Niobium phosphide-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is zero-dimensional and consists of two nsc119876 molecules. Pt2+ is bonded in a distorted octahedral geometry to two equivalent N1+ and four equivalent Cl1- atoms. Both Pt–N bond lengths are 1.99 Å. All Pt–Cl bond lengths are 2.34 Å. N1+ is bonded in a distorted single-bond geometry to one Pt2+ atom. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(NCl)2 by Materials Project

Pt(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Pt(NCl)2 clusters. Pt2+ is bonded in a square co-planar geometry to two equivalent N and two equivalent Cl1- atoms. Both Pt–N bond lengths are 1.81 Å. Both Pt–Cl bond lengths are 2.35 Å. N is bonded in a single-bond geometry to one Pt2+ atom. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(NCl2)2 by Materials Project

Pt(NCl2)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four Pt(NCl2)2 clusters. Pt2+ is bonded in a 6-coordinate geometry to two equivalent N1+ and four Cl1- atoms. Both Pt–N bond lengths are 1.96 Å. There are two shorter (2.35 Å) and two longer (2.62 Å) Pt–Cl bond lengths. N1+ is bonded in an L-shaped geometry to one Pt2+ and one Cl1- atom. The N–Cl bond length is 1.69 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Pt2+ and one N1+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pt2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(NCl)2 by Materials Project

Pt(NCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two Pt(NCl)2 ribbons oriented in the (0, 1, 0) direction. Pt2+ is bonded in a distorted square co-planar geometry to two equivalent N and two equivalent Cl1- atoms. Both Pt–N bond lengths are 1.88 Å. Both Pt–Cl bond lengths are 2.43 Å. N is bonded in a 2-coordinate geometry to one Pt2+ and one Cl1- atom. The N–Cl bond length is 1.66 Å. Cl1- is bonded in a distorted bent 120 degrees geometry to one Pt2+ and one N atom.

36 MATERIALS SCIENCE↗
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 Pt(NCl3)2 by Materials Project

PtCl6N2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight ammonia molecules and four PtCl6 clusters. In each PtCl6 cluster, Pt4+ is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Pt–Cl bond lengths are 2.32 Å. Cl1- is bonded in a single-bond geometry to one Pt4+ atom.

36 MATERIALS SCIENCE↗