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At least 1,459 records · Page 81
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DOE OSTI2020

Materials Data on LiAl2Pt by Materials Project

LiPtAl2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to six equivalent Pt and eight equivalent Al atoms. All Li–Pt bond lengths are 3.05 Å. All Li–Al bond lengths are 2.64 Å. Pt is bonded in a distorted body-centered cubic geometry to six equivalent Li and eight equivalent Al atoms. All Pt–Al bond lengths are 2.64 Å. Al is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiSnPt by Materials Project

TiPtSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ti is bonded to four equivalent Pt and six equivalent Sn atoms to form a mixture of distorted face and corner-sharing TiSn6Pt4 tetrahedra. All Ti–Pt bond lengths are 2.70 Å. All Ti–Sn bond lengths are 3.12 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Ti and four equivalent Sn atoms. All Pt–Sn bond lengths are 2.70 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Ti and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaBPt2 by Materials Project

LaPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. La3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of edge, corner, and face-sharing LaB4Pt8 cuboctahedra. There are four shorter (3.15 Å) and four longer (3.16 Å) La–Pt bond lengths. All La–B bond lengths are 3.09 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent La3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.14 Å. B3- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGaPt by Materials Project

CaPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to six equivalent Pt and six equivalent Ga atoms. There are a spread of Ca–Pt bond distances ranging from 3.01–3.51 Å. There are a spread of Ca–Ga bond distances ranging from 3.13–3.33 Å. Pt is bonded in a 9-coordinate geometry to six equivalent Ca and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.62–2.66 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaGePt by Materials Project

CaPtGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Ca–Pt bond distances ranging from 3.04–3.32 Å. There are a spread of Ca–Ge bond distances ranging from 3.08–3.28 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Ge atoms. There are three shorter (2.59 Å) and one longer (2.74 Å) Pt–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er5BiPt2 by Materials Project

Er5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing ErBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Er–Pt bond lengths are 3.01 Å. Both Er–Bi bond lengths are 3.40 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.92 Å) and two longer (2.95 Å) Er–Pt bond lengths. Both Er–Bi bond lengths are 3.33 Å. Pt is bonded in a 8-coordinate geometry to eight Er atoms. Bi is bonded in a distorted q6 geometry to ten Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy(SiPt)2 by Materials Project

Dy(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Dy–Pt bond lengths are 3.24 Å. All Dy–Si bond lengths are 3.19 Å. Pt is bonded to four equivalent Dy and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing PtDy4Si4 tetrahedra. All Pt–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Dy, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.32 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2GaPt by Materials Project

Li2PtGa crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Ga atoms to form distorted corner-sharing LiGa4 tetrahedra. All Li–Ga bond lengths are 2.63 Å. In the second Li site, Li is bonded to four equivalent Pt atoms to form distorted corner-sharing LiPt4 tetrahedra. All Li–Pt bond lengths are 2.63 Å. Pt is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Pt–Ga bond lengths are 2.63 Å. Ga is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(SiPt)2 by Materials Project

Y(PtSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Y is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Si atoms. All Y–Pt bond lengths are 3.24 Å. All Y–Si bond lengths are 3.19 Å. Pt is bonded to four equivalent Y and four equivalent Si atoms to form a mixture of distorted face, edge, and corner-sharing PtY4Si4 tetrahedra. All Pt–Si bond lengths are 2.47 Å. Si is bonded in a 9-coordinate geometry to four equivalent Y, four equivalent Pt, and one Si atom. The Si–Si bond length is 2.33 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbLuPt2 by Materials Project

LuYbPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Lu is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Lu–Pt bond lengths are 2.96 Å. Yb is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Yb–Pt bond lengths are 2.96 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Lu and four equivalent Yb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdAlPt by Materials Project

NdPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nd is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Nd–Pt bond distances ranging from 2.94–3.22 Å. There are a spread of Nd–Al bond distances ranging from 3.14–3.38 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Nd and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.63–2.72 Å. Al is bonded in a 4-coordinate geometry to six equivalent Nd and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Si11Pt23 by Materials Project

Ce3Pt23Si11 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ce+3.33+ is bonded to eight equivalent Pt2- atoms to form distorted corner-sharing CePt8 cuboctahedra. All Ce–Pt bond lengths are 3.17 Å. There are four inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of distorted edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.51 Å) and three longer (2.52 Å) Pt–Si bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four equivalent Si+3.27+ atoms. All Pt–Si bond lengths are 2.59 Å. In the third Pt2- site, Pt2- is bonded in a 5-coordinate geometry to two equivalent Ce+3.33+ and three Si+3.27+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–2.48 Å. In the fourth Pt2- site, Pt2- is bonded to four Si+3.27+ atoms to form a mixture of edge and corner-sharing PtSi4 tetrahedra. There are one shorter (2.44 Å) and three longer (2.50 Å) Pt–Si bond lengths. There are three inequivalent Si+3.27+ sites. In the first Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms. In the second Si+3.27+ site, Si+3.27+ is bonded in a body-centered cubic geometry to eight Pt2- atoms. In the third Si+3.27+ site, Si+3.27+ is bonded in a 7-coordinate geometry to seven Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnGaPt by Materials Project

PtMnGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to two equivalent Mn, six equivalent Pt, and six equivalent Ga atoms. Both Mn–Mn bond lengths are 2.77 Å. All Mn–Pt bond lengths are 2.87 Å. All Mn–Ga bond lengths are 2.87 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Mn and five equivalent Ga atoms. There are three shorter (2.51 Å) and two longer (2.77 Å) Pt–Ga bond lengths. Ga is bonded in a 5-coordinate geometry to six equivalent Mn and five equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg3Pt by Materials Project

Mg3Pt is Sodium arsenide structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 1-coordinate geometry to four equivalent Pt atoms. There are one shorter (2.73 Å) and three longer (3.04 Å) Mg–Pt bond lengths. In the second Mg site, Mg is bonded in a trigonal planar geometry to three equivalent Pt atoms. All Mg–Pt bond lengths are 2.67 Å. Pt is bonded in a 5-coordinate geometry to eleven Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdBPt2 by Materials Project

NdPt2B crystallizes in the hexagonal P6_222 space group. The structure is three-dimensional. Nd3+ is bonded to eight equivalent Pt and four equivalent B3- atoms to form a mixture of face, edge, and corner-sharing NdB4Pt8 cuboctahedra. There are four shorter (3.10 Å) and four longer (3.15 Å) Nd–Pt bond lengths. All Nd–B bond lengths are 3.05 Å. Pt is bonded in a distorted bent 120 degrees geometry to four equivalent Nd3+ and two equivalent B3- atoms. Both Pt–B bond lengths are 2.12 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Nd3+ and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrAlPt by Materials Project

PrPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Pr–Pt bond distances ranging from 2.97–3.25 Å. There are a spread of Pr–Al bond distances ranging from 3.16–3.39 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Pr and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.63–2.74 Å. Al is bonded in a 4-coordinate geometry to six equivalent Pr and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaInPt by Materials Project

CaPtIn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Pt and six equivalent In atoms. There are a spread of Ca–Pt bond distances ranging from 3.11–3.15 Å. There are a spread of Ca–In bond distances ranging from 3.36–3.47 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent In atoms. There are a spread of Pt–In bond distances ranging from 2.79–2.84 Å. In is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.

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.

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