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At least 91 records · Page 5
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DOE OSTI2020

Materials Data on Ca2Si5Pt3 by Materials Project

Ca2Pt3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Ca2+ is bonded in a 1-coordinate geometry to three equivalent Pt and ten Si+0.80- atoms. There are one shorter (3.13 Å) and two longer (3.22 Å) Ca–Pt bond lengths. There are a spread of Ca–Si bond distances ranging from 3.04–3.29 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to six Si+0.80- atoms. There are four shorter (2.49 Å) and two longer (2.68 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 5-coordinate geometry to three equivalent Ca2+ and five Si+0.80- atoms. There are a spread of Pt–Si bond distances ranging from 2.38–2.47 Å. There are three inequivalent Si+0.80- sites. In the first Si+0.80- site, Si+0.80- is bonded in a 9-coordinate geometry to four equivalent Ca2+, three Pt, and two equivalent Si+0.80- atoms. Both Si–Si bond lengths are 2.53 Å. In the second Si+0.80- site, Si+0.80- is bonded in a 2-coordinate geometry to four equivalent Ca2+, three Pt, and two equivalent Si+0.80- atoms. In the third Si+0.80- site, Si+0.80- is bonded in a 4-coordinate geometry to four equivalent Ca2+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y3Pt by Materials Project

Y3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a distorted bent 120 degrees geometry to two equivalent Pt atoms. There are one shorter (2.82 Å) and one longer (2.89 Å) Y–Pt bond lengths. In the second Y site, Y is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Y–Pt bond distances ranging from 2.88–3.40 Å. Pt is bonded in a 6-coordinate geometry to eight Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3Pt by Materials Project

PtTb3 is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two PtTb3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Pt atoms. There are one shorter (2.83 Å) and one longer (2.92 Å) Tb–Pt bond lengths. In the second Tb site, Tb is bonded in a 2-coordinate geometry to two equivalent Pt atoms. There are one shorter (2.86 Å) and one longer (2.92 Å) Tb–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to six Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Pt by Materials Project

Tm3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Tm–Pt bond distances ranging from 2.83–3.32 Å. In the second Tm site, Tm is bonded in a distorted bent 120 degrees geometry to two equivalent Pt atoms. There are one shorter (2.78 Å) and one longer (2.85 Å) Tm–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pt3O4 by Materials Project

Pt3O4 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Pt+2.67+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Pt–O bond lengths are 2.37 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Pt+2.67+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tl3Pt by Materials Project

PtTl3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pt is bonded to twelve equivalent Tl atoms to form a mixture of edge and face-sharing PtTl12 cuboctahedra. All Pt–Tl bond lengths are 3.30 Å. Tl is bonded in a 6-coordinate geometry to four equivalent Pt and two equivalent Tl atoms. Both Tl–Tl bond lengths are 2.96 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm4MgPt by Materials Project

MgSm4Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Sm atoms to form a mixture of corner and face-sharing MgSm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.19 Å. There are a spread of Mg–Sm bond distances ranging from 3.40–3.63 Å. There are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Sm, and three equivalent Pt atoms. All Sm–Sm bond lengths are 3.64 Å. All Sm–Pt bond lengths are 2.91 Å. In the second Sm site, Sm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Sm, and two equivalent Pt atoms. All Sm–Sm bond lengths are 3.75 Å. Both Sm–Pt bond lengths are 2.92 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Sm, and two equivalent Pt atoms. All Sm–Sm bond lengths are 3.68 Å. Both Sm–Pt bond lengths are 3.64 Å. Pt is bonded in a 6-coordinate geometry to nine Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y4MgPt by Materials Project

MgY4Pt crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form a mixture of face and corner-sharing MgY9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.14 Å. There are a spread of Mg–Y bond distances ranging from 3.34–3.57 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Y, and three equivalent Pt atoms. All Y–Y bond lengths are 3.58 Å. All Y–Pt bond lengths are 2.88 Å. In the second Y site, Y is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.69 Å. Both Y–Pt bond lengths are 2.87 Å. In the third Y site, Y is bonded in a 4-coordinate geometry to two equivalent Mg, ten Y, and two equivalent Pt atoms. All Y–Y bond lengths are 3.62 Å. Both Y–Pt bond lengths are 3.57 Å. Pt is bonded in a 6-coordinate geometry to nine Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La7Pt3 by Materials Project

La7Pt3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent La sites. In the first La site, La is bonded in a 3-coordinate geometry to three equivalent Pt atoms. All La–Pt bond lengths are 3.01 Å. In the second La site, La is bonded in a distorted water-like geometry to two equivalent Pt atoms. Both La–Pt bond lengths are 2.96 Å. In the third La site, La is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are two shorter (3.01 Å) and one longer (3.12 Å) La–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to six La atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Pt by Materials Project

Er3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Er–Pt bond distances ranging from 2.84–3.33 Å. In the second Er site, Er is bonded in a distorted bent 120 degrees geometry to two equivalent Pt atoms. There are one shorter (2.79 Å) and one longer (2.87 Å) Er–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy3Pt by Materials Project

Dy3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Dy–Pt bond distances ranging from 2.85–3.38 Å. In the second Dy site, Dy is bonded in a distorted bent 150 degrees geometry to two equivalent Pt atoms. There are one shorter (2.81 Å) and one longer (2.90 Å) Dy–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Dy atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3Pt by Materials Project

Ho3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Ho–Pt bond distances ranging from 2.84–3.35 Å. In the second Ho site, Ho is bonded in a distorted bent 150 degrees geometry to two equivalent Pt atoms. There are one shorter (2.80 Å) and one longer (2.91 Å) Ho–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PtCl4O5 by Materials Project

PtO3Cl4O2 crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four molecular oxygen molecules and four PtO3Cl4 clusters. In each PtO3Cl4 cluster, Pt is bonded in a 6-coordinate geometry to two O and four Cl atoms. There are one shorter (1.83 Å) and one longer (2.69 Å) Pt–O bond lengths. There are a spread of Pt–Cl bond distances ranging from 2.27–2.34 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.22 Å. In the second O site, O is bonded in a single-bond geometry to one Pt atom. In the third O site, O is bonded in a single-bond geometry to one O atom. There are four inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the third Cl site, Cl is bonded in a single-bond geometry to one Pt atom. In the fourth Cl site, Cl is bonded in a single-bond geometry to one Pt atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu3Pt by Materials Project

Lu3Pt is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 2-coordinate geometry to three equivalent Pt atoms. There are a spread of Lu–Pt bond distances ranging from 2.81–3.29 Å. In the second Lu site, Lu is bonded in a distorted bent 120 degrees geometry to two equivalent Pt atoms. There are one shorter (2.74 Å) and one longer (2.81 Å) Lu–Pt bond lengths. Pt is bonded in a 6-coordinate geometry to eight Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photodriven Elimination of Chlorine From Germanium and Platinum in a Dinuclear Pt II →Ge IV Complex

Abstract Searching for a connection between the two‐electron redox behavior of Group‐14 elements and their possible use as platforms for the photoreductive elimination of chlorine, we have studied the photochemistry of [( o ‐(Ph 2 P)C 6 H 4 ) 2 Ge IV Cl 2 ]Pt II Cl 2 and [( o ‐(Ph 2 P)C 6 H 4 ) 2 ClGe III ]Pt III Cl 3 , two newly isolated isomeric complexes. These studies show that, in the presence of a chlorine trap, both isomers convert cleanly into the platinum germyl complex [( o ‐(Ph 2 P)C 6 H 4 ) 2 ClGe III ]Pt I Cl with quantum yields of 1.7 % and 3.2 % for the Ge IV –Pt II and Ge III –Pt III isomers, respectively. Conversion of the Ge IV –Pt II isomer into the platinum germyl complex is a rare example of a light‐induced transition‐metal/main‐group‐element bond‐forming process. Finally, transient‐absorption‐spectroscopy studies carried out on the Ge III –Pt III isomer point to a ligand arene–Cl . charge‐transfer complex as an intermediate.

Karimi, Mohammadjavad↗
DOE OSTI2021

Photodriven Elimination of Chlorine From Germanium and Platinum in a Dinuclear Pt II →Ge IV Complex

Searching for a connection between the two-electron redox behavior of Group-14 elements and their possible use as platforms for the photoreductive elimination of chlorine, we have studied the photochemistry of [(o-(Ph 2 P)C 6 H 4 ) 2 Ge IV Cl 2 ]Pt II Cl 2 and [(o-(Ph 2 P)C 6 H 4 ) 2 ClGe III ]Pt III Cl 3 , two newly isolated isomeric complexes. These studies show that, in the presence of a chlorine trap, both isomers convert cleanly into the platinum germyl complex [(o-(Ph 2 P)C 6 H 4 ) 2 ClGe III ]Pt I Cl with quantum yields of 1.7 % and 3.2 % for the Ge IV –Pt II and Ge III –Pt III isomers, respectively. Conversion of the Ge IV –Pt II isomer into the platinum germyl complex is a rare example of a light-induced transition-metal/main-group-element bond-forming process. Additionally, transient-absorption-spectroscopy studies carried out on the Ge III –Pt III isomer point to a ligand arene–Cl. charge-transfer complex as an intermediate.

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

Materials Data on Sm2Ge5Pt3 by Materials Project

Sm2Pt3Ge5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to seven Pt and ten Ge atoms. There are a spread of Sm–Pt bond distances ranging from 3.19–3.55 Å. There are a spread of Sm–Ge bond distances ranging from 3.04–3.40 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 6-coordinate geometry to four equivalent Sm and six Ge atoms. There are four shorter (2.57 Å) and two longer (2.71 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 10-coordinate geometry to five equivalent Sm and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.44–2.55 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Pt, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.68 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sm, three Pt, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗