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At least 991 records · Page 55
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DOE OSTI2020

Materials Data on ZrGaPt by Materials Project

PtGaZr crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Ga atoms. There are a spread of Zr–Pt bond distances ranging from 2.81–2.89 Å. There are a spread of Zr–Ga bond distances ranging from 3.01–3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.68 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.63 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeInPt by Materials Project

CePtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.07 Å) and one longer (3.15 Å) Ce–Pt bond lengths. There are two shorter (3.27 Å) and four longer (3.42 Å) Ce–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent In atoms. All Pt–In bond lengths are 2.80 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent In atoms. All Pt–In bond lengths are 2.91 Å. In is bonded in a 4-coordinate geometry to six equivalent Ce and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdInPt by Materials Project

NdPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.11 Å) and one longer (3.19 Å) Nd–Pt bond lengths. There are two shorter (3.32 Å) and four longer (3.46 Å) Nd–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent In atoms. All Pt–In bond lengths are 2.82 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent In atoms. All Pt–In bond lengths are 2.95 Å. In is bonded in a 4-coordinate geometry to six equivalent Nd and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Si3MoPt2 by Materials Project

MoPt2Si3 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mo4+ is bonded in a 7-coordinate geometry to seven Si+1.33- atoms. There are a spread of Mo–Si bond distances ranging from 2.54–2.62 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded to five Si+1.33- atoms to form distorted edge-sharing PtSi5 trigonal bipyramids. There are a spread of Pt–Si bond distances ranging from 2.41–2.55 Å. In the second Pt site, Pt is bonded in a 6-coordinate geometry to six Si+1.33- atoms. There are a spread of Pt–Si bond distances ranging from 2.44–2.74 Å. There are three inequivalent Si+1.33- sites. In the first Si+1.33- site, Si+1.33- is bonded in a 6-coordinate geometry to four equivalent Mo4+ and two equivalent Pt atoms. In the second Si+1.33- site, Si+1.33- is bonded in a 8-coordinate geometry to two equivalent Mo4+ and four Pt atoms. In the third Si+1.33- site, Si+1.33- is bonded in a 6-coordinate geometry to one Mo4+ and five Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlSiPt5 by Materials Project

Pt5TlSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+0.60+ sites. In the first Pt+0.60+ site, Pt+0.60+ is bonded to two equivalent Tl1+ and two equivalent Si4- atoms to form a mixture of corner and edge-sharing PtTl2Si2 tetrahedra. Both Pt–Tl bond lengths are 2.97 Å. Both Pt–Si bond lengths are 2.47 Å. In the second Pt+0.60+ site, Pt+0.60+ is bonded in a square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.84 Å. Tl1+ is bonded to twelve Pt+0.60+ atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. Si4- is bonded in a body-centered cubic geometry to eight equivalent Pt+0.60+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InPPt5 by Materials Project

Pt5InP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent In1+ and two equivalent P5+ atoms. Both Pt–In bond lengths are 2.90 Å. Both Pt–P bond lengths are 2.46 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent In1+ atoms. All Pt–In bond lengths are 2.83 Å. In1+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing InPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThSiPt by Materials Project

ThPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Th is bonded to six Pt and six equivalent Si atoms to form a mixture of edge and face-sharing ThSi6Pt6 cuboctahedra. There are two shorter (3.20 Å) and four longer (3.21 Å) Th–Pt bond lengths. There are four shorter (3.18 Å) and two longer (3.26 Å) Th–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pt–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Th and three Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InSiPt5 by Materials Project

Pt5InSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent In2+ atoms. All Pt–In bond lengths are 2.83 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent In2+ and two equivalent Si4+ atoms. Both Pt–In bond lengths are 2.92 Å. Both Pt–Si bond lengths are 2.47 Å. In2+ is bonded to twelve Pt+1.20- atoms to form a mixture of face and corner-sharing InPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlAsPt5 by Materials Project

Pt5TlAs crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to two equivalent Tl1+ and two equivalent As5+ atoms to form a mixture of distorted corner and edge-sharing PtTl2As2 tetrahedra. Both Pt–Tl bond lengths are 2.93 Å. Both Pt–As bond lengths are 2.54 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.88 Å. Tl1+ is bonded to twelve Pt+1.20- atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. As5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TlPPt5 by Materials Project

Pt5TlP crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a distorted square co-planar geometry to four equivalent Tl1+ atoms. All Pt–Tl bond lengths are 2.84 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent Tl1+ and two equivalent P5+ atoms. Both Pt–Tl bond lengths are 2.96 Å. Both Pt–P bond lengths are 2.46 Å. Tl1+ is bonded to twelve Pt+1.20- atoms to form a mixture of corner and face-sharing TlPt12 cuboctahedra. P5+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThAlPt by Materials Project

ThPtAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to five Pt atoms. There are four shorter (3.03 Å) and one longer (3.07 Å) Th–Pt bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Th and six equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Th and three equivalent Al atoms. All Pt–Al bond lengths are 2.87 Å. Al is bonded in a 4-coordinate geometry to four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnPt by Materials Project

GdPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Gd is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.06 Å) and one longer (3.10 Å) Gd–Pt bond lengths. There are two shorter (3.25 Å) and four longer (3.39 Å) Gd–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Gd and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.81 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Gd and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.86 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Gd and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSnPt by Materials Project

TmPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.02 Å) and one longer (3.03 Å) Tm–Pt bond lengths. There are two shorter (3.20 Å) and four longer (3.32 Å) Tm–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.81 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tm and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCdPt by Materials Project

CePtCd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ce is bonded in a 11-coordinate geometry to five Pt and six equivalent Cd atoms. There are four shorter (3.09 Å) and one longer (3.13 Å) Ce–Pt bond lengths. There are two shorter (3.32 Å) and four longer (3.41 Å) Ce–Cd bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ce and six equivalent Cd atoms. All Pt–Cd bond lengths are 2.79 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Cd atoms. All Pt–Cd bond lengths are 2.93 Å. Cd is bonded in a 4-coordinate geometry to six equivalent Ce and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeU(Pt4Au)2 by Materials Project

UCe(Pt4Au)2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of U–Pt bond distances ranging from 3.12–3.14 Å. Ce3+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. There are a spread of Ce–Pt bond distances ranging from 3.14–3.16 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to one U6+, two equivalent Ce3+, six Pt2-, and three Au+3.50+ atoms to form PtCe2UPt6Au3 cuboctahedra that share corners with eighteen PtU3Pt6Au3 cuboctahedra, edges with six PtCe2UPt6Au3 cuboctahedra, and faces with eighteen PtCe2UPt6Au3 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.66–2.69 Å. There are two shorter (3.13 Å) and one longer (3.16 Å) Pt–Au bond lengths. In the second Pt2- site, Pt2- is bonded to two equivalent U6+, one Ce3+, six Pt2-, and three Au+3.50+ atoms to form PtCeU2Pt6Au3 cuboctahedra that share corners with eighteen PtU3Pt6Au3 cuboctahedra, edges with six PtCe2UPt6Au3 cuboctahedra, and faces with eighteen PtCe2UPt6Au3 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.66–2.70 Å. There are one shorter (3.11 Å) and two longer (3.14 Å) Pt–Au bond lengths. In the third Pt2- site, Pt2- is bonded to three equivalent U6+, six Pt2-, and three equivalent Au+3.50+ atoms to form PtU3Pt6Au3 cuboctahedra that share corners with eighteen PtCe3Pt6Au3 cuboctahedra, edges with six equivalent PtU3Pt6Au3 cuboctahedra, and faces with eighteen PtCe2UPt6Au3 cuboctahedra. All Pt–Au bond lengths are 3.14 Å. In the fourth Pt2- site, Pt2- is bonded to three equivalent Ce3+, six Pt2-, and three equivalent Au+3.50+ atoms to form PtCe3Pt6Au3 cuboctahedra that share corners with eighteen PtU3Pt6Au3 cuboctahedra, edges with six equivalent PtCe3Pt6Au3 cuboctahedra, and faces with eighteen PtCe2UPt6Au3 cuboctahedra. All Pt–Au bond lengths are 3.14 Å. There are two inequivalent Au+3.50+ sites. In the first Au+3.50+ site, Au+3.50+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms. In the second Au+3.50+ site, Au+3.50+ is bonded in a 12-coordinate geometry to twelve Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSnPt by Materials Project

TbPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.05 Å) and one longer (3.06 Å) Tb–Pt bond lengths. There are two shorter (3.25 Å) and four longer (3.36 Å) Tb–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.80 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.85 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Tb and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Pt2 by Materials Project

Eu3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Eu sites. In the first Eu site, Eu is bonded in an octahedral geometry to six equivalent Pt atoms. All Eu–Pt bond lengths are 3.15 Å. In the second Eu site, Eu is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (3.03 Å) and three longer (3.20 Å) Eu–Pt bond lengths. In the third Eu site, Eu is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Eu–Pt bond distances ranging from 3.06–3.44 Å. Pt is bonded in a 9-coordinate geometry to eight Eu and one Pt atom. The Pt–Pt bond length is 3.03 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAlPt by Materials Project

ZrPtAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Al atoms. There are four shorter (2.85 Å) and one longer (2.87 Å) Zr–Pt bond lengths. There are two shorter (3.06 Å) and four longer (3.12 Å) Zr–Al bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Al atoms. All Pt–Al bond lengths are 2.60 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Al atoms. All Pt–Al bond lengths are 2.70 Å. Al is bonded in a 4-coordinate geometry to six equivalent Zr and four Pt atoms.

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