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138 records · Page 8
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DOE OSTI2020

Materials Data on Zn(PtO2)3 by Materials Project

Zn(PtO2)3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Pt+3.33+ sites. In the first Pt+3.33+ site, Pt+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 59°. There are four shorter (2.05 Å) and two longer (2.07 Å) Pt–O bond lengths. In the second Pt+3.33+ site, Pt+3.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 1.99 Å. Zn2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.20 Å) and four longer (2.45 Å) Zn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three Pt+3.33+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OZnPt3 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Pt+3.33+ and two equivalent Zn2+ atoms to form a mixture of edge and corner-sharing OZn2Pt2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2Pt3O8 by Materials Project

Ca2Pt3O8 is beta indium sulfide-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ca2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.32 Å) and three longer (2.43 Å) Ca–O bond lengths. Pt4+ is bonded to six O2- atoms to form edge-sharing PtO6 octahedra. All Pt–O bond lengths are 2.06 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Ca2+ and two equivalent Pt4+ atoms to form a mixture of distorted corner and edge-sharing OCa2Pt2 tetrahedra. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Pt2O7 by Materials Project

Nd2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.28 Å) and six longer (2.54 Å) Nd–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Pt–O bond lengths are 2.07 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nd3+ atoms to form ONd4 tetrahedra that share corners with sixteen ONd4 tetrahedra and edges with six equivalent ONd2Pt2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Nd3+ and two equivalent Pt4+ atoms to form a mixture of distorted corner and edge-sharing ONd2Pt2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgPtO2 by Materials Project

PtAgO2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded to six O2- atoms to form edge-sharing PtO6 octahedra. There are four shorter (2.05 Å) and two longer (2.06 Å) Pt–O bond lengths. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.05 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.18 Å. In the second Ag2+ site, Ag2+ is bonded in a distorted linear geometry to six O2- atoms. There are two shorter (2.21 Å) and four longer (2.86 Å) Ag–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pt2+ and two Ag2+ atoms to form a mixture of edge and corner-sharing OAg2Pt2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Pt2+ and two equivalent Ag2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtO2 by Materials Project

PtO2 is Hydrophilite structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are two shorter (2.01 Å) and four longer (2.04 Å) Pt–O bond lengths. O2- is bonded in a trigonal planar geometry to three equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtO2 by Materials Project

PtO2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Pt–O bond lengths are 2.04 Å. O2- is bonded in a trigonal planar geometry to three equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiPtO3 by Materials Project

NiPtO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one nickel molecule and one PtO3 framework. In the PtO3 framework, Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–O bond lengths are 1.98 Å. O2- is bonded in a linear geometry to two equivalent Pt4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm2Pt2O7 by Materials Project

Tm2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.21 Å) and six longer (2.41 Å) Tm–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Pt–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing OTm2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt(NO3)2 by Materials Project

Pt(NO3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one oxygen molecule and one Pt(NO2)2 ribbon oriented in the (1, 0, 0) direction. In the Pt(NO2)2 ribbon, Pt2+ is bonded to six O2- atoms to form edge-sharing PtO6 octahedra. There are four shorter (2.00 Å) and two longer (2.06 Å) Pt–O bond lengths. N5+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.29 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Pt2+ and one N5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Pt2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2Pt2O7 by Materials Project

Dy2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Dy3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.23 Å) and six longer (2.44 Å) Dy–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–O bond lengths are 2.05 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Dy3+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing ODy2Pt2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Dy3+ atoms to form a mixture of edge and corner-sharing ODy4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(PtO2)3 by Materials Project

NiPt3O6 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent Pt+3.33+ sites. In the first Pt+3.33+ site, Pt+3.33+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.97 Å) and two longer (1.98 Å) Pt–O bond length. In the second Pt+3.33+ site, Pt+3.33+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of Pt–O bond distances ranging from 2.03–2.09 Å. Ni2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Ni–O bond distances ranging from 2.17–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Pt+3.33+ and two equivalent Ni2+ atoms to form ONi2Pt2 tetrahedra that share corners with ten ONi2Pt2 tetrahedra and edges with three ONiPt3 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Pt+3.33+ and one Ni2+ atom. In the third O2- site, O2- is bonded to three Pt+3.33+ and one Ni2+ atom to form distorted ONiPt3 tetrahedra that share corners with eight ONiPt3 tetrahedra and edges with two equivalent ONi2Pt2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu2Pt2O7 by Materials Project

Eu2Pt2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Eu3+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are two shorter (2.26 Å) and six longer (2.54 Å) Eu–O bond lengths. Pt4+ is bonded to six equivalent O2- atoms to form corner-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Pt–O bond lengths are 2.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ atoms to form OEu4 tetrahedra that share corners with sixteen OEu4 tetrahedra and edges with six equivalent OEu2Pt2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Eu3+ and two equivalent Pt4+ atoms to form a mixture of distorted edge and corner-sharing OEu2Pt2 tetrahedra.

36 MATERIALS SCIENCE↗