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At least 253 records · Page 14
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DOE OSTI2020

Materials Data on MnAlPt by Materials Project

MnPtAl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 6-coordinate geometry to two equivalent Mn, six equivalent Pt, and six equivalent Al atoms. Both Mn–Mn bond lengths are 2.73 Å. All Mn–Pt bond lengths are 2.85 Å. All Mn–Al bond lengths are 2.85 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Al atoms. There are three shorter (2.51 Å) and two longer (2.73 Å) Pt–Al bond lengths. Al is bonded to six equivalent Mn and five equivalent Pt atoms to form a mixture of distorted face and corner-sharing AlMn6Pt5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiAlPt by Materials Project

PtTiAl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Pt, and six equivalent Al atoms. Both Ti–Ti bond lengths are 2.71 Å. All Ti–Pt bond lengths are 2.90 Å. All Ti–Al bond lengths are 2.90 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Al atoms. There are three shorter (2.57 Å) and two longer (2.71 Å) Pt–Al bond lengths. Al is bonded to six equivalent Ti and five equivalent Pt atoms to form a mixture of distorted corner and face-sharing AlTi6Pt5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti6PtAu by Materials Project

Ti6PtAu crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, two equivalent Pt, and two equivalent Au atoms. There are one shorter (2.50 Å) and one longer (2.58 Å) Ti–Ti bond lengths. Both Ti–Pt bond lengths are 2.83 Å. Both Ti–Au bond lengths are 2.85 Å. Pt is bonded to twelve equivalent Ti atoms to form PtTi12 cuboctahedra that share edges with six equivalent PtTi12 cuboctahedra and faces with eight equivalent AuTi12 cuboctahedra. Au is bonded to twelve equivalent Ti atoms to form AuTi12 cuboctahedra that share edges with six equivalent AuTi12 cuboctahedra and faces with eight equivalent PtTi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb6GePt by Materials Project

Nb6PtGe crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Pt, and two equivalent Ge atoms. Both Nb–Nb bond lengths are 2.60 Å. Both Nb–Pt bond lengths are 2.90 Å. Both Nb–Ge bond lengths are 2.90 Å. Pt is bonded to twelve equivalent Nb atoms to form PtNb12 cuboctahedra that share edges with six equivalent PtNb12 cuboctahedra and faces with eight equivalent GeNb12 cuboctahedra. Ge is bonded to twelve equivalent Nb atoms to form GeNb12 cuboctahedra that share edges with six equivalent GeNb12 cuboctahedra and faces with eight equivalent PtNb12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb6PtAu by Materials Project

Nb6PtAu crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Pt, and two equivalent Au atoms. There are one shorter (2.57 Å) and one longer (2.66 Å) Nb–Nb bond lengths. Both Nb–Pt bond lengths are 2.91 Å. Both Nb–Au bond lengths are 2.93 Å. Pt is bonded to twelve equivalent Nb atoms to form PtNb12 cuboctahedra that share edges with six equivalent PtNb12 cuboctahedra and faces with eight equivalent AuNb12 cuboctahedra. Au is bonded to twelve equivalent Nb atoms to form AuNb12 cuboctahedra that share edges with six equivalent AuNb12 cuboctahedra and faces with eight equivalent PtNb12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb6PdPt by Materials Project

Nb6PtPd crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Pt, and two equivalent Pd atoms. There are one shorter (2.58 Å) and one longer (2.62 Å) Nb–Nb bond lengths. Both Nb–Pt bond lengths are 2.90 Å. Both Nb–Pd bond lengths are 2.91 Å. Pt is bonded to twelve equivalent Nb atoms to form PtNb12 cuboctahedra that share edges with six equivalent PtNb12 cuboctahedra and faces with eight equivalent PdNb12 cuboctahedra. Pd is bonded to twelve equivalent Nb atoms to form PdNb12 cuboctahedra that share edges with six equivalent PdNb12 cuboctahedra and faces with eight equivalent PtNb12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZnPt(CN)6 by Materials Project

PtZn(CN)6 is alpha Rhenium trioxide-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pt2- is bonded in an octahedral geometry to six equivalent C3+ atoms. All Pt–C bond lengths are 2.02 Å. Zn2+ is bonded in an octahedral geometry to six equivalent N3- atoms. All Zn–N bond lengths are 2.16 Å. C3+ is bonded in a linear geometry to one Pt2- and one N3- atom. The C–N bond length is 1.16 Å. N3- is bonded in a linear geometry to one Zn2+ and one C3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2P3Pt4 by Materials Project

Sm2Pt4P3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. there are two inequivalent Sm+2.50+ sites. In the first Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. In the second Sm+2.50+ site, Sm+2.50+ is bonded in a 6-coordinate geometry to nine Pt1- and six P+0.33- atoms. There are a spread of Sm–Pt bond distances ranging from 3.20–3.35 Å. All Sm–P bond lengths are 3.12 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 3-coordinate geometry to five Sm+2.50+ and three P+0.33- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Pt–P bond lengths. In the second Pt1- site, Pt1- is bonded in a 12-coordinate geometry to four equivalent Sm+2.50+ and four P+0.33- atoms. There are two shorter (2.51 Å) and two longer (2.52 Å) Pt–P bond lengths. There are four inequivalent P+0.33- sites. In the first P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. In the second P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. There are a spread of P–Pt bond distances ranging from 2.33–2.52 Å. In the third P+0.33- site, P+0.33- is bonded in a 8-coordinate geometry to four Sm+2.50+ and four equivalent Pt1- atoms. In the fourth P+0.33- site, P+0.33- is bonded in a 9-coordinate geometry to four equivalent Sm+2.50+ and five Pt1- atoms. All P–Sm bond lengths are 3.12 Å. The P–Pt bond length is 2.33 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Supramolecular Assembly of Halide Perovskite Building Blocks

The structural diversity and tunable optoelectronic properties of halide perovskites originate from the rich chemistry of the metal halide ionic octahedron [MX 6 ] n- (M = Pb 2+ , Sb 3+ , Te 4+ , Sn 4+ , Pt 4+ , etc.; X = Cl - , Br - , and I - ). The properties of the extended perovskite solids are dictated by the assembly, connectivity, and interaction of these octahedra within the lattice environment. Hence, the ability to manipulate and control the assembly of the octahedral building blocks is paramount for constructing new perovskite materials. Here, we propose a systematic supramolecular strategy for the assembly of [MX 6 ] n- octahedra into a solid extended network. Interaction of alkali metal-bound crown ethers with the [M(IV)X 6 ] 2- octahedron resulted in a structurally and optoelectronically tunable "dumbbell" structural unit in solution. Further, single crystals with diverse packing geometries and symmetries will form as the solid assembly of this new supramolecular building block. This supramolecular assembly route introduces a new general strategy for designing halide perovskite structures with potentially new optoelectronic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Materials Data on Mg5(Si8Pt5)2 by Materials Project

Mg5(Pt5Si8)2 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to six Pt1- atoms. There are three shorter (2.81 Å) and three longer (2.96 Å) Mg–Pt bond lengths. In the second Mg2+ site, Mg2+ is bonded in a tetrahedral geometry to four equivalent Pt1- atoms. All Mg–Pt bond lengths are 2.79 Å. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded in a 7-coordinate geometry to four Mg2+ and three equivalent Si atoms. All Pt–Si bond lengths are 2.40 Å. In the second Pt1- site, Pt1- is bonded in a 8-coordinate geometry to two equivalent Mg2+ and six Si atoms. There are two shorter (2.41 Å) and four longer (2.63 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 6-coordinate geometry to three Pt1- and three equivalent Si atoms. There are one shorter (2.38 Å) and two longer (2.50 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a distorted trigonal planar geometry to three equivalent Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U6Si19Pt30 by Materials Project

U6Pt30Si19 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. U4+ is bonded in a 6-coordinate geometry to six Pt2- atoms. There are a spread of U–Pt bond distances ranging from 3.09–3.13 Å. There are five inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.67 Å. In the second Pt2- site, Pt2- is bonded to four Si+1.89+ atoms to form a mixture of distorted corner and edge-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.43–2.57 Å. In the third Pt2- site, Pt2- is bonded in a 2-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.67 Å. In the fourth Pt2- site, Pt2- is bonded in a 5-coordinate geometry to five Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.64 Å. In the fifth Pt2- site, Pt2- is bonded in a 4-coordinate geometry to two equivalent U4+ and four Si+1.89+ atoms. There are a spread of Pt–Si bond distances ranging from 2.40–2.60 Å. There are four inequivalent Si+1.89+ sites. In the first Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+1.89+ site, Si+1.89+ is bonded in a 6-coordinate geometry to six Pt2- atoms. In the third Si+1.89+ site, Si+1.89+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the fourth Si+1.89+ site, Si+1.89+ is bonded in a distorted octahedral geometry to six equivalent Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Single-atom Zr promoter boosts oxygen activation on ceria-supported Pt catalysts

Activation of surface lattice oxygen and chemisorbed oxygen on catalyst surfaces constitutes a pivotal step in heterogeneous oxidative catalysis. Herein, we report a strategy for enhancing oxygen activation by rational design of catalysts with single-atom promoters. Single-site Zr species in CeO 2 (Zr 1 -CeO 2 ) are synthesized using the atom-trapping method. The Zr 1 -CeO 2 -supported Pt catalyst exhibits enhanced catalytic performance over the CeO 2 -supported Pt catalyst in the oxidation of CO, C 3 H 8 , and C 3 H 6 , achieving significantly lower T 50 values (temperature required to reach 50% conversion). This enhanced catalytic activity is attributed to the formation of an asymmetric Zr 1 -O-Pt 1 structure, which favors the activation of the adjacent surface lattice oxygen and chemisorbed molecular oxygen. This work exemplifies that incorporating single-site atoms into oxide support facilitates oxygen activation, providing new insights into the role of atomically dispersed promoters in heterogeneous catalysis.

Science & Technology - Other Topics↗
DOE OSTI2020

Materials Data on HgPt2Se3 by Materials Project

Pt2HgSe3 crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Pt2HgSe3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Pt2+ sites. In the first Pt2+ site, Pt2+ is bonded in an octahedral geometry to six equivalent Se2- atoms. All Pt–Se bond lengths are 2.57 Å. In the second Pt2+ site, Pt2+ is bonded in a square co-planar geometry to four equivalent Se2- atoms. All Pt–Se bond lengths are 2.49 Å. Hg2+ is bonded in a 6-coordinate geometry to three equivalent Se2- atoms. All Hg–Se bond lengths are 3.16 Å. Se2- is bonded in a 4-coordinate geometry to three Pt2+ and one Hg2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo3Pt by Materials Project

PtMo3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Mo is bonded in a 6-coordinate geometry to two equivalent Mo and four equivalent Pt atoms. Both Mo–Mo bond lengths are 2.51 Å. All Mo–Pt bond lengths are 2.81 Å. Pt is bonded to twelve equivalent Mo atoms to form a mixture of edge and face-sharing PtMo12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V3Pt by Materials Project

V3Pt crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Pt atoms. Both V–V bond lengths are 2.41 Å. All V–Pt bond lengths are 2.69 Å. Pt is bonded to twelve equivalent V atoms to form a mixture of edge and face-sharing PtV12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti3Pt by Materials Project

Ti3Pt crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Pt atoms. Both Ti–Ti bond lengths are 2.52 Å. All Ti–Pt bond lengths are 2.82 Å. Pt is bonded to twelve equivalent Ti atoms to form a mixture of edge and face-sharing PtTi12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb3Pt by Materials Project

Nb3Pt crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Pt atoms. Both Nb–Nb bond lengths are 2.60 Å. All Nb–Pt bond lengths are 2.91 Å. Pt is bonded to twelve equivalent Nb atoms to form a mixture of edge and face-sharing PtNb12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaPt by Materials Project

PtBa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. All Ba–Pt bond lengths are 3.29 Å. Pt2- is bonded in a body-centered cubic geometry to six equivalent Ba2+ and two equivalent Pt2- atoms. Both Pt–Pt bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗