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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PtBr3N2 by Materials Project

Pt(NBr)2Pt(NBr2)2 is Protactinium structured and crystallizes in the orthorhombic Pmmn space group. The structure is zero-dimensional and consists of two Pt(NBr)2 clusters and two Pt(NBr2)2 clusters. In each Pt(NBr)2 cluster, Pt5+ is bonded in a rectangular see-saw-like geometry to two equivalent N1- and two equivalent Br1- atoms. Both Pt–N bond lengths are 1.79 Å. Both Pt–Br bond lengths are 2.49 Å. N1- is bonded in a single-bond geometry to one Pt5+ atom. Br1- is bonded in a single-bond geometry to one Pt5+ atom. In each Pt(NBr2)2 cluster, Pt5+ is bonded in an octahedral geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 2.03 Å. All Pt–Br bond lengths are 2.47 Å. N1- is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtBr3N2 by Materials Project

PtN2Br3 is Indium structured and crystallizes in the orthorhombic Imm2 space group. The structure is zero-dimensional and consists of two PtN2Br3 clusters. Pt5+ is bonded in a distorted trigonal bipyramidal geometry to two equivalent N1- and three Br1- atoms. Both Pt–N bond lengths are 1.77 Å. There are one shorter (2.41 Å) and two longer (2.57 Å) Pt–Br bond lengths. N1- is bonded in a single-bond geometry to one Pt5+ atom. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtBr3N2 by Materials Project

PtN2Br3 crystallizes in the orthorhombic Fddd space group. The structure is one-dimensional and consists of eight PtN2Br3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Pt5+ sites. In the first Pt5+ site, Pt5+ is bonded in a distorted linear geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 1.81 Å. There are two shorter (2.52 Å) and two longer (3.02 Å) Pt–Br bond lengths. In the second Pt5+ site, Pt5+ is bonded in a distorted octahedral geometry to two equivalent N1- and four Br1- atoms. Both Pt–N bond lengths are 1.84 Å. There are two shorter (2.55 Å) and two longer (2.57 Å) Pt–Br bond lengths. There are two inequivalent N1- sites. In the first N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. In the second N1- site, N1- is bonded in a single-bond geometry to one Pt5+ atom. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Pt5+ atom. In the third Br1- site, Br1- is bonded in a distorted linear geometry to two Pt5+ atoms. The Br–Pt bond length is 2.57 Å.

36 MATERIALS SCIENCE↗