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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on USnPt2 by Materials Project

UPt2Sn crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. U is bonded to six equivalent Pt atoms to form edge-sharing UPt6 octahedra. All U–Pt bond lengths are 2.83 Å. Pt is bonded in a 6-coordinate geometry to three equivalent U and three equivalent Sn atoms. There are one shorter (2.80 Å) and two longer (2.81 Å) Pt–Sn bond lengths. Sn is bonded in a 6-coordinate geometry to six equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Transport anomalies in the layered compound BaPt 4 Se 6

We report a layered ternary selenide BaPt 4 Se 6 featuring sesqui-selenide Pt 2 Se 3 layers sandwiched by Ba atoms. The Pt 2 Se 3 layers in this compound can be derived from the Dirac-semimetal PtSe 2 phase with Se vacancies that form a honeycomb structure. This structure results in a Pt (VI) and Pt (II) mixed-valence compound with both PtSe 6 octahedra and PtSe 4 square net coordination configurations. Temperature-dependent electrical transport measurements suggest two distinct anomalies: a resistivity crossover, mimic to the metal-insulator (M-I) transition at ~150 K, and a resistivity plateau at temperatures below 10 K. The resistivity crossover is not associated with any structural, magnetic, or charge order modulated phase transitions. Magnetoresistivity, Hall, and heat capacity measurements concurrently suggest an existing hidden state below 5 K in this system. Angle-resolved photoemission spectroscopy measurements reveal a metallic state and no dramatic reconstruction of the electronic structure up to 200 K.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structure of 3'-PO 4 /5'-OH RNA ligase RtcB in complex with a 5'-OH oligonucleotide

RtcB enzymes comprise a widely distributed family of manganese- and GTP-dependent RNA repair enzymes that join 2',3'-cyclic phosphate ends to 5'-OH ends via RtcB-(histidinyl-N)–GMP, RNA 3'-phosphate, and RNA 3 'pp 5 'G intermediates. RtcB can ligate either 5'-OH RNA or 5'-OH DNA strands in vitro. The nucleic acid contacts of RtcB are uncharted. In this work, we report a 2.7 Å crystal structure of Pyrococcus horikoshii RtcB in complex with a 6-mer 5'-OH DNA oligonucleotide HO A 1 pT 2 pG 3 pT 4 pC 5 pC 6 , which reveals enzymic contacts of Asn202 to the terminal 5'-OH nucleophile; Arg238 to the A1pT2 and T2pG3 phosphates; Arg190 and Gln194 to the T 2 pG 3 phosphate; and an Arg190 π-cation interaction with the G 3 nucleobase. The structural insights affirm functional studies of E. coli RtcB that implicated the conserved counterpart of Arg238 in engagement of the 5'-OH strand for ligation. The essential active site Cys98 that coordinates two manganese ions is oxidized to cysteine sulfonic acid in our structure, raising the prospect that RtcB activity might be sensitive to modulation during oxidative stress.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Materials Data on BPt by Materials Project

PtB crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pt is bonded in a 6-coordinate geometry to six equivalent B atoms. All Pt–B bond lengths are 2.36 Å. B is bonded in a body-centered cubic geometry to six equivalent Pt and two equivalent B atoms. Both B–B bond lengths are 1.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Pt by Materials Project

PtGe3 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of two PtGe3 ribbons oriented in the (0, 0, 1) direction. Pt is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Pt–Ge bond lengths are 2.63 Å. Ge is bonded in a distorted L-shaped geometry to two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nuclear structure and band mixing in Pt 194

We introduce a two-particle, two-hole mixed configuration scheme to fit E2 strengths for the 0 ↔ 2, 2 ↔ 4, and 4 ↔ 6 transitions in 194 Pt. The interaction includes two sets of pairing operators, {S ± (t), S 0 (t)} (t = s, d). Solutions within this framework are used to analyze energy spectra, E2 transitions, and band-mixing features of the model. The results confirm that mixing is small and similar for J = 2, 4, and 6, with the calculated energies and transition matrix elements in excellent agreement with experimental data.

190 ≤ A ≤ 219↗
DOE OSTI2020

Materials Data on Ca(B2Pt3)2 by Materials Project

Ca(Pt3B2)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ca2+ is bonded to twelve Pt+1.33- atoms to form edge-sharing CaPt12 cuboctahedra. There are eight shorter (3.34 Å) and four longer (3.35 Å) Ca–Pt bond lengths. There are two inequivalent Pt+1.33- sites. In the first Pt+1.33- site, Pt+1.33- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and four B+1.50+ atoms. There are a spread of Pt–B bond distances ranging from 2.16–2.34 Å. In the second Pt+1.33- site, Pt+1.33- is bonded in a 4-coordinate geometry to two equivalent Ca2+ and four B+1.50+ atoms. There are a spread of Pt–B bond distances ranging from 2.16–2.34 Å. There are two inequivalent B+1.50+ sites. In the first B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six Pt+1.33- atoms. In the second B+1.50+ site, B+1.50+ is bonded in a 6-coordinate geometry to six Pt+1.33- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3Pt5 by Materials Project

Th3Pt5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to ten Pt atoms. There are a spread of Th–Pt bond distances ranging from 3.00–3.58 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to six equivalent Th and four Pt atoms. All Pt–Pt bond lengths are 2.88 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Th and three equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pt4 by Materials Project

Pt4Tb3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Tb–Pt bond distances ranging from 2.88–3.30 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Tb atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Tb atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Tb and three equivalent Pt atoms. There are one shorter (2.89 Å) and two longer (2.98 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Pt4 by Materials Project

Tm3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Tm–Pt bond distances ranging from 2.85–3.25 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Tm atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Tm atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Tm and three equivalent Pt atoms. There are one shorter (2.85 Å) and two longer (2.95 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Pt4 by Materials Project

Lu3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Lu is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Lu–Pt bond distances ranging from 2.82–3.24 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Lu atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Lu atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Lu and three equivalent Pt atoms. There are one shorter (2.88 Å) and two longer (2.94 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Pt4 by Materials Project

Ho3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ho is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Ho–Pt bond distances ranging from 2.86–3.28 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Ho atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Ho atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Ho and three equivalent Pt atoms. There are one shorter (2.88 Å) and two longer (2.96 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Pt4 by Materials Project

Dy3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Dy is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.86–3.35 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Dy atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Dy atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Dy and three equivalent Pt atoms. There are one shorter (2.91 Å) and two longer (2.96 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Pt4 by Materials Project

Er3Pt4 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Er is bonded in a 9-coordinate geometry to nine Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.85–3.26 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six equivalent Er atoms. In the second Pt site, Pt is bonded in a distorted octahedral geometry to six equivalent Er atoms. In the third Pt site, Pt is bonded in a 10-coordinate geometry to seven equivalent Er and three equivalent Pt atoms. There are one shorter (2.86 Å) and two longer (2.96 Å) Pt–Pt bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiPt3 by Materials Project

Pt3Si crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Pt3Si sheets oriented in the (0, 1, 0) direction. there are three inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted water-like geometry to two equivalent Si4- atoms. There are one shorter (2.37 Å) and one longer (2.54 Å) Pt–Si bond lengths. In the second Pt+1.33+ site, Pt+1.33+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.46 Å. In the third Pt+1.33+ site, Pt+1.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.45 Å. Si4- is bonded in a 6-coordinate geometry to six Pt+1.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ge3Pt2 by Materials Project

Ge3Pt2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to six Ge atoms to form PtGe6 octahedra that share corners with four equivalent PtGe6 octahedra, a cornercorner with one GeGePt3 tetrahedra, and edges with two equivalent PtGe6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Pt–Ge bond distances ranging from 2.52–2.58 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.53–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to five Pt atoms. In the second Ge site, Ge is bonded to three equivalent Pt and one Ge atom to form distorted GeGePt3 tetrahedra that share a cornercorner with one PtGe6 octahedra and corners with six equivalent GeGePt3 tetrahedra. The corner-sharing octahedral tilt angles are 73°. The Ge–Ge bond length is 2.55 Å. In the third Ge site, Ge is bonded in a 5-coordinate geometry to four Pt and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al21Pt5 by Materials Project

Al21Pt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to eleven Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–3.14 Å. In the second Pt site, Pt is bonded in a 12-coordinate geometry to twelve Al atoms. There are a spread of Pt–Al bond distances ranging from 2.64–2.97 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to thirteen Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–3.16 Å. In the fourth Pt site, Pt is bonded in a 8-coordinate geometry to thirteen Al atoms. There are a spread of Pt–Al bond distances ranging from 2.57–3.14 Å. There are twelve inequivalent Al sites. In the first Al site, Al is bonded in a 1-coordinate geometry to four Pt and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.63–2.81 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to three Pt and four Al atoms. There are one shorter (2.72 Å) and one longer (2.76 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pt and nine Al atoms. There are three shorter (2.81 Å) and three longer (2.98 Å) Al–Al bond lengths. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two Pt and three Al atoms. There are one shorter (2.84 Å) and one longer (3.02 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a trigonal non-coplanar geometry to three equivalent Pt and three equivalent Al atoms. In the sixth Al site, Al is bonded in a 2-coordinate geometry to three Pt and ten Al atoms. There are two shorter (2.71 Å) and four longer (2.98 Å) Al–Al bond lengths. In the seventh Al site, Al is bonded in a 3-coordinate geometry to three equivalent Pt and nine Al atoms. There are three shorter (2.79 Å) and three longer (2.82 Å) Al–Al bond lengths. In the eighth Al site, Al is bonded in a trigonal planar geometry to three equivalent Pt and three equivalent Al atoms. In the ninth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt and three equivalent Al atoms. In the tenth Al site, Al is bonded in a 1-coordinate geometry to two Pt and five Al atoms. The Al–Al bond length is 2.77 Å. In the eleventh Al site, Al is bonded in a 3-coordinate geometry to four Pt and three equivalent Al atoms. In the twelfth Al site, Al is bonded in a 9-coordinate geometry to three Pt and six Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmIn3Pt by Materials Project

SmPtIn3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a cuboctahedral geometry to twelve equivalent In atoms. All Sm–In bond lengths are 3.43 Å. In the second Sm site, Sm is bonded in a 8-coordinate geometry to four equivalent Pt and twelve equivalent In atoms. All Sm–Pt bond lengths are 3.47 Å. There are eight shorter (3.41 Å) and four longer (3.47 Å) Sm–In bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent In atoms. All Pt–In bond lengths are 2.71 Å. In is bonded in a 2-coordinate geometry to four Sm and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗