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At least 1,675 records · Page 93
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DOE OSTI2020

Materials Data on Lu2Pt by Materials Project

Lu2Pt is Cotunnite 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 to four equivalent Pt atoms to form a mixture of edge and corner-sharing LuPt4 tetrahedra. There are a spread of Lu–Pt bond distances ranging from 2.83–2.90 Å. In the second Lu site, Lu is bonded in a 3-coordinate geometry to three equivalent Pt atoms. There are one shorter (2.79 Å) and two longer (3.01 Å) Lu–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to seven Lu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmAlPt by Materials Project

SmPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Sm–Pt bond distances ranging from 2.91–3.18 Å. There are a spread of Sm–Al bond distances ranging from 3.12–3.33 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.62–2.70 Å. Al is bonded in a 4-coordinate geometry to six equivalent Sm and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb5BiPt2 by Materials Project

Tb5Pt2Bi crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Pt and two equivalent Bi atoms to form distorted corner-sharing TbBi2Pt4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°. All Tb–Pt bond lengths are 3.04 Å. Both Tb–Bi bond lengths are 3.47 Å. In the second Tb site, Tb is bonded in a 5-coordinate geometry to three equivalent Pt and two equivalent Bi atoms. There are one shorter (2.96 Å) and two longer (2.99 Å) Tb–Pt bond lengths. Both Tb–Bi bond lengths are 3.36 Å. Pt is bonded in a 8-coordinate geometry to eight Tb atoms. Bi is bonded in a distorted q6 geometry to ten Tb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2Si2Pt3 by Materials Project

Sc2Pt3Si2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc3+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are a spread of Sc–Pt bond distances ranging from 2.89–3.22 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 12-coordinate geometry to six equivalent Sc3+, three Pt2-, and three equivalent Si atoms. There are one shorter (2.88 Å) and two longer (2.94 Å) Pt–Pt bond lengths. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to four equivalent Sc3+, four equivalent Pt2-, and four equivalent Si atoms. All Pt–Si bond lengths are 2.48 Å. Si is bonded in a 5-coordinate geometry to five Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSnPt by Materials Project

CaPtSn 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 Sn atoms. There are a spread of Ca–Pt bond distances ranging from 3.10–3.63 Å. There are a spread of Ca–Sn bond distances ranging from 3.28–3.40 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.73–2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdSnPt2 by Materials Project

GdPt2Sn crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight equivalent Pt atoms. There are six shorter (3.03 Å) and two longer (3.14 Å) Gd–Pt bond lengths. Pt is bonded in a 7-coordinate geometry to four equivalent Gd and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.77 Å. Sn is bonded to six equivalent Pt atoms to form distorted edge-sharing SnPt6 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2AlPt2 by Materials Project

Ca2Pt2Al crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are a spread of Ca–Pt bond distances ranging from 3.07–3.12 Å. Pt is bonded in a 2-coordinate geometry to six equivalent Ca and two equivalent Al atoms. There are one shorter (2.51 Å) and one longer (2.55 Å) Pt–Al bond lengths. Al is bonded in a 4-coordinate geometry to four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoAlPt by Materials Project

HoPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Ho–Pt bond distances ranging from 2.84–3.09 Å. There are a spread of Ho–Al bond distances ranging from 3.06–3.26 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.59–2.68 Å. Al is bonded in a 4-coordinate geometry to six equivalent Ho and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaGaPt by Materials Project

LaPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of La–Pt bond distances ranging from 3.00–3.25 Å. There are a spread of La–Ga bond distances ranging from 3.18–3.42 Å. Pt is bonded in a 9-coordinate geometry to five equivalent La and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.71–2.75 Å. Ga is bonded in a 10-coordinate geometry to six equivalent La and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PmSnPt2 by Materials Project

PmPt2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pm is bonded in a body-centered cubic geometry to eight equivalent Pt and six equivalent Sn atoms. All Pm–Pt bond lengths are 3.00 Å. All Pm–Sn bond lengths are 3.47 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Pm and four equivalent Sn atoms. All Pt–Sn bond lengths are 3.00 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Pm and eight equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbHoPt2 by Materials Project

YbHoPt2 is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Yb is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Yb–Pt bond lengths are 2.99 Å. Ho is bonded in a body-centered cubic geometry to eight equivalent Pt atoms. All Ho–Pt bond lengths are 2.99 Å. Pt is bonded in a body-centered cubic geometry to four equivalent Yb and four equivalent Ho atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2SnPt2 by Materials Project

U2Pt2Sn crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are two shorter (2.91 Å) and four longer (2.95 Å) U–Pt bond lengths. Pt is bonded in a 8-coordinate geometry to six equivalent U and two equivalent Sn atoms. Both Pt–Sn bond lengths are 2.79 Å. Sn is bonded in a square co-planar geometry to four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyAlPt by Materials Project

DyPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Dy–Pt bond distances ranging from 2.86–3.11 Å. There are a spread of Dy–Al bond distances ranging from 3.07–3.26 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.60–2.67 Å. Al is bonded in a 4-coordinate geometry to six equivalent Dy and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGaPt by Materials Project

EuPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ga atoms. There are a spread of Eu–Pt bond distances ranging from 3.09–3.38 Å. There are a spread of Eu–Ga bond distances ranging from 3.14–3.32 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Eu and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.65–2.70 Å. Ga is bonded in a 4-coordinate geometry to six equivalent Eu and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Bi2Pt3Se2 by Materials Project

Pt3Bi2Se2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. Pt+0.67- is bonded to four equivalent Bi3+ and two equivalent Se2- atoms to form a mixture of distorted edge, corner, and face-sharing PtBi4Se2 octahedra. The corner-sharing octahedra tilt angles range from 47–63°. There are two shorter (2.84 Å) and two longer (3.15 Å) Pt–Bi bond lengths. Both Pt–Se bond lengths are 2.47 Å. Bi3+ is bonded in a 7-coordinate geometry to six equivalent Pt+0.67- and one Se2- atom. The Bi–Se bond length is 3.51 Å. Se2- is bonded in a 4-coordinate geometry to three equivalent Pt+0.67- and one Bi3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CePd2Pt by Materials Project

CePtPd2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to four equivalent Pt and eight equivalent Pd atoms to form CePd8Pt4 cuboctahedra that share corners with twelve equivalent CePd8Pt4 cuboctahedra, edges with eight equivalent PtCe4Pd8 cuboctahedra, edges with sixteen equivalent PdCe4Pd4Pt4 cuboctahedra, faces with four equivalent PtCe4Pd8 cuboctahedra, faces with six equivalent CePd8Pt4 cuboctahedra, and faces with eight equivalent PdCe4Pd4Pt4 cuboctahedra. All Ce–Pt bond lengths are 2.95 Å. All Ce–Pd bond lengths are 2.95 Å. Pt is bonded to four equivalent Ce and eight equivalent Pd atoms to form PtCe4Pd8 cuboctahedra that share corners with twelve equivalent PtCe4Pd8 cuboctahedra, edges with eight equivalent CePd8Pt4 cuboctahedra, edges with sixteen equivalent PdCe4Pd4Pt4 cuboctahedra, faces with four equivalent CePd8Pt4 cuboctahedra, faces with six equivalent PtCe4Pd8 cuboctahedra, and faces with eight equivalent PdCe4Pd4Pt4 cuboctahedra. All Pt–Pd bond lengths are 2.95 Å. Pd is bonded to four equivalent Ce, four equivalent Pt, and four equivalent Pd atoms to form distorted PdCe4Pd4Pt4 cuboctahedra that share corners with twelve equivalent PdCe4Pd4Pt4 cuboctahedra, edges with eight equivalent CePd8Pt4 cuboctahedra, edges with eight equivalent PtCe4Pd8 cuboctahedra, edges with eight equivalent PdCe4Pd4Pt4 cuboctahedra, faces with four equivalent CePd8Pt4 cuboctahedra, faces with four equivalent PtCe4Pd8 cuboctahedra, and faces with ten equivalent PdCe4Pd4Pt4 cuboctahedra. All Pd–Pd bond lengths are 2.95 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Mo6PtO38 by Materials Project

Nd2Mo6PtO38 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Nd–O bond distances ranging from 2.35–2.59 Å. There are three inequivalent Mo sites. In the first Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.70–2.14 Å. In the second Mo site, Mo is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.22 Å. In the third Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.77–2.26 Å. Pt is bonded in an octahedral geometry to six O atoms. There are four shorter (2.02 Å) and two longer (2.19 Å) Pt–O bond lengths. There are nineteen inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Pt and one O atom. The O–O bond length is 1.25 Å. In the second O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the third O site, O is bonded in a trigonal non-coplanar geometry to two Mo and one Pt atom. In the fourth O site, O is bonded in a distorted trigonal non-coplanar geometry to one Nd and two Mo atoms. In the fifth O site, O is bonded in a bent 150 degrees geometry to two Mo atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Nd and one Mo atom. In the ninth O site, O is bonded in a single-bond geometry to one Mo atom. In the tenth O site, O is bonded in a single-bond geometry to one Mo atom. In the eleventh O site, O is bonded in a single-bond geometry to one Mo atom. In the twelfth O site, O is bonded in a bent 150 degrees geometry to one Nd and one Mo atom. In the thirteenth O site, O is bonded in a bent 120 degrees geometry to one Nd and one O atom. The O–O bond length is 1.34 Å. In the fourteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the fifteenth O site, O is bonded in a single-bond geometry to one Nd atom. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the seventeenth O site, O is bonded in a distorted single-bond geometry to one Nd atom. In the eighteenth O site, O is bonded in a single-bond geometry to one O atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuAlPt by Materials Project

LuPtAl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Al atoms. There are a spread of Lu–Pt bond distances ranging from 2.81–3.04 Å. There are a spread of Lu–Al bond distances ranging from 3.04–3.23 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Lu and four equivalent Al atoms. There are a spread of Pt–Al bond distances ranging from 2.58–2.66 Å. Al is bonded to six equivalent Lu and four equivalent Pt atoms to form a mixture of distorted corner, edge, and face-sharing AlLu6Pt4 tetrahedra.

36 MATERIALS SCIENCE↗