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DOE OSTI2020

Materials Data on Nd3Pt2 by Materials Project

Nd3Pt2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in an octahedral geometry to six equivalent Pt atoms. All Nd–Pt bond lengths are 3.09 Å. In the second Nd site, Nd is bonded in a 6-coordinate geometry to six equivalent Pt atoms. There are three shorter (2.97 Å) and three longer (3.17 Å) Nd–Pt bond lengths. In the third Nd site, Nd is bonded in a 5-coordinate geometry to five equivalent Pt atoms. There are a spread of Nd–Pt bond distances ranging from 2.97–3.37 Å. Pt is bonded in a 8-coordinate geometry to eight Nd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2PtAu by Materials Project

Ca2PtAu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Au atoms. All Ca–Pt bond lengths are 3.09 Å. There are one shorter (3.05 Å) and two longer (3.13 Å) Ca–Au bond lengths. In the second Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Au atoms. There are one shorter (3.02 Å) and two longer (3.15 Å) Ca–Pt bond lengths. All Ca–Au bond lengths are 3.09 Å. Pt is bonded in a 9-coordinate geometry to seven Ca and two equivalent Au atoms. Both Pt–Au bond lengths are 2.81 Å. Au is bonded in a 9-coordinate geometry to seven Ca and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
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Materials Data on PdPt by Materials Project

PtPd crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Pd2+ atoms to form a mixture of edge, corner, and face-sharing PtPd6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Pd bond lengths are 2.80 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Pd2+ atoms to form PtPd6Pt10 cuboctahedra that share corners with twelve PtPd6Pt6 cuboctahedra, edges with sixteen PtPd6Pt6 cuboctahedra, and faces with sixteen equivalent PtPd6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.79–5.58 Å. All Pt–Pd bond lengths are 2.80 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. In the second Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. In the third Pd2+ site, Pd2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. All Pd–Pt bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3Ga9Pt2 by Materials Project

Tm3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to twelve Ga atoms to form distorted TmGa12 cuboctahedra that share edges with two equivalent GaTm4Ga4Pt4 cuboctahedra and faces with two equivalent TmGa12 cuboctahedra. There are eight shorter (3.12 Å) and four longer (3.26 Å) Tm–Ga bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Tm–Pt bond lengths are 3.04 Å. There are a spread of Tm–Ga bond distances ranging from 3.08–3.50 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Tm and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.58–2.87 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Tm, four equivalent Pt, and four equivalent Ga atoms to form GaTm4Ga4Pt4 cuboctahedra that share edges with two equivalent TmGa12 cuboctahedra and faces with two equivalent GaTm4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.72 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Tm, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.66 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Tm, two equivalent Pt, and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er7(TePt)2 by Materials Project

Er7(PtTe)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to two equivalent Pt and three Te atoms. Both Er–Pt bond lengths are 2.84 Å. There are one shorter (3.12 Å) and two longer (3.19 Å) Er–Te bond lengths. In the second Er site, Er is bonded in a 4-coordinate geometry to three equivalent Pt and one Te atom. There are two shorter (2.85 Å) and one longer (3.16 Å) Er–Pt bond lengths. The Er–Te bond length is 3.16 Å. In the third Er site, Er is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Te atoms. Both Er–Pt bond lengths are 2.88 Å. Both Er–Te bond lengths are 3.16 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to three Te atoms. There are two shorter (3.20 Å) and one longer (3.24 Å) Er–Te bond lengths. Pt is bonded in a 7-coordinate geometry to seven Er atoms. There are two inequivalent Te sites. In the first Te site, Te is bonded in a 8-coordinate geometry to eight Er atoms. In the second Te site, Te is bonded in a 7-coordinate geometry to seven Er atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li2SnPt by Materials Project

Li2PtSn 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 Pt atoms to form distorted LiPt4 tetrahedra that share corners with twenty-four LiPt4 tetrahedra and faces with four equivalent LiSn4Pt6 tetrahedra. All Li–Pt bond lengths are 2.76 Å. In the second Li site, Li is bonded to six equivalent Pt and four equivalent Sn atoms to form distorted LiSn4Pt6 tetrahedra that share corners with eighteen LiPt4 tetrahedra and faces with sixteen LiSn4Pt6 tetrahedra. All Li–Pt bond lengths are 3.18 Å. All Li–Sn bond lengths are 2.76 Å. Pt is bonded in a 8-coordinate geometry to ten Li and four equivalent Sn atoms. All Pt–Sn bond lengths are 2.76 Å. Sn 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 Bi8Pt5I3 by Materials Project

Pt5Bi8I3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four equivalent Pt2- and four equivalent Bi+1.62+ atoms. All Pt–Pt bond lengths are 2.83 Å. All Pt–Bi bond lengths are 2.88 Å. In the second Pt2- site, Pt2- is bonded in a 9-coordinate geometry to three Pt2- and six Bi+1.62+ atoms. The Pt–Pt bond length is 2.80 Å. There are a spread of Pt–Bi bond distances ranging from 2.80–2.95 Å. In the third Pt2- site, Pt2- is bonded in a 8-coordinate geometry to one Pt2- and seven Bi+1.62+ atoms. There are a spread of Pt–Bi bond distances ranging from 2.81–3.08 Å. There are four inequivalent Bi+1.62+ sites. In the first Bi+1.62+ site, Bi+1.62+ is bonded in a 7-coordinate geometry to four Pt2- and three equivalent I1- atoms. There are two shorter (3.60 Å) and one longer (3.81 Å) Bi–I bond lengths. In the second Bi+1.62+ site, Bi+1.62+ is bonded in a 6-coordinate geometry to four Pt2- and two equivalent I1- atoms. Both Bi–I bond lengths are 3.61 Å. In the third Bi+1.62+ site, Bi+1.62+ is bonded in a 7-coordinate geometry to four Pt2- and three I1- atoms. There are one shorter (3.46 Å) and two longer (3.71 Å) Bi–I bond lengths. In the fourth Bi+1.62+ site, Bi+1.62+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Pt2- atoms. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 4-coordinate geometry to four equivalent Bi+1.62+ atoms. In the second I1- site, I1- is bonded in a 8-coordinate geometry to six Bi+1.62+ atoms.

36 MATERIALS SCIENCE↗
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Materials Data on CePdPt4 by Materials Project

CePt4Pd crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce4+ is bonded in a distorted trigonal planar geometry to fifteen Pt2- atoms. There are three shorter (3.10 Å) and twelve longer (3.49 Å) Ce–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to three equivalent Ce4+, six equivalent Pt2-, and three equivalent Pd4+ atoms to form distorted PtCe3Pd3Pt6 cuboctahedra that share corners with twelve equivalent PtCe4Pd2Pt6 cuboctahedra, edges with six equivalent PtCe3Pd3Pt6 cuboctahedra, and faces with twenty PtCe3Pd3Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.72 Å. All Pt–Pd bond lengths are 3.10 Å. In the second Pt2- site, Pt2- is bonded to four equivalent Ce4+, six Pt2-, and two equivalent Pd4+ atoms to form PtCe4Pd2Pt6 cuboctahedra that share corners with twenty PtCe3Pd3Pt6 cuboctahedra, edges with ten equivalent PtCe4Pd2Pt6 cuboctahedra, and faces with sixteen PtCe3Pd3Pt6 cuboctahedra. There are two shorter (2.68 Å) and two longer (2.70 Å) Pt–Pt bond lengths. Both Pt–Pd bond lengths are 2.71 Å. Pd4+ is bonded in a 9-coordinate geometry to nine Pt2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSi12Pt5 by Materials Project

BaPt5Si12 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four Pt2- atoms. All Ba–Pt bond lengths are 3.48 Å. There are six inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to two equivalent Ba2+ and six Si+0.67+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.48 Å. In the second Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Si+0.67+ atoms. There are four shorter (2.55 Å) and four longer (2.56 Å) Pt–Si bond lengths. In the third Pt2- site, Pt2- is bonded in a 6-coordinate geometry to two equivalent Ba2+ and six Si+0.67+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.48 Å. In the fourth Pt2- site, Pt2- is bonded in a 8-coordinate geometry to eight Si+0.67+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.75 Å. In the fifth Pt2- site, Pt2- is bonded in a 6-coordinate geometry to eight Si+0.67+ atoms. There are a spread of Pt–Si bond distances ranging from 2.43–2.89 Å. In the sixth Pt2- site, Pt2- is bonded in a body-centered cubic geometry to eight Si+0.67+ atoms. All Pt–Si bond lengths are 2.54 Å. There are six inequivalent Si+0.67+ sites. In the first Si+0.67+ site, Si+0.67+ is bonded to four Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra. In the second Si+0.67+ site, Si+0.67+ is bonded in a bent 120 degrees geometry to two Pt2- atoms. In the third Si+0.67+ site, Si+0.67+ is bonded in a bent 120 degrees geometry to two Pt2- atoms. In the fourth Si+0.67+ site, Si+0.67+ is bonded in a distorted trigonal non-coplanar geometry to three Pt2- atoms. In the fifth Si+0.67+ site, Si+0.67+ is bonded in a distorted trigonal non-coplanar geometry to three Pt2- atoms. In the sixth Si+0.67+ site, Si+0.67+ is bonded to four Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra.

36 MATERIALS SCIENCE↗
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Materials Data on AgPt by Materials Project

PtAg crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Ag2+ atoms to form PtAg6Pt6 cuboctahedra that share corners with twelve PtAg6Pt6 cuboctahedra, edges with twelve PtAg6Pt6 cuboctahedra, edges with twelve AgAg6Pt6 cuboctahedra, faces with six equivalent PtAg6Pt6 cuboctahedra, and faces with twelve AgAg6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.83 Å. All Pt–Ag bond lengths are 2.89 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Ag2+ atoms to form PtAg6Pt10 cuboctahedra that share corners with ten AgAg6Pt6 cuboctahedra, corners with twelve PtAg6Pt6 cuboctahedra, edges with eight AgAg6Pt6 cuboctahedra, edges with sixteen PtAg6Pt6 cuboctahedra, faces with sixteen equivalent PtAg6Pt10 cuboctahedra, and faces with eighteen AgAg6Pt6 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.83–5.66 Å. All Pt–Ag bond lengths are 2.89 Å. There are three inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six equivalent Pt2- and six equivalent Ag2+ atoms to form distorted AgAg6Pt6 cuboctahedra that share corners with twelve AgAg6Pt6 cuboctahedra, edges with twelve equivalent PtAg6Pt6 cuboctahedra, edges with twelve AgAg6Pt6 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with twelve equivalent PtAg6Pt6 cuboctahedra. All Ag–Ag bond lengths are 2.83 Å. In the second Ag2+ site, Ag2+ is bonded to six Pt2- and six equivalent Ag2+ atoms to form distorted AgAg6Pt6 cuboctahedra that share corners with five equivalent PtAg6Pt10 cuboctahedra, corners with twelve AgAg6Pt6 cuboctahedra, edges with ten PtAg6Pt6 cuboctahedra, edges with twelve AgAg6Pt6 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with fifteen PtAg6Pt6 cuboctahedra. All Ag–Pt bond lengths are 2.89 Å. All Ag–Ag bond lengths are 2.83 Å. In the third Ag2+ site, Ag2+ is bonded to six Pt2- and six equivalent Ag2+ atoms to form distorted AgAg6Pt6 cuboctahedra that share corners with five equivalent PtAg6Pt10 cuboctahedra, corners with twelve AgAg6Pt6 cuboctahedra, edges with ten PtAg6Pt6 cuboctahedra, edges with twelve AgAg6Pt6 cuboctahedra, faces with six equivalent AgAg6Pt6 cuboctahedra, and faces with fifteen PtAg6Pt6 cuboctahedra. All Ag–Ag bond lengths are 2.83 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoPt by Materials Project

CoPt crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a hexagonal planar geometry to six equivalent Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. In the second Co2+ site, Co2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. In the third Co2+ site, Co2+ is bonded in a hexagonal planar geometry to six Pt2- atoms. All Co–Pt bond lengths are 2.66 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six Co2+ and six equivalent Pt2- atoms to form a mixture of distorted face, edge, and corner-sharing PtCo6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å. In the second Pt2- site, Pt2- is bonded to six Co2+ and ten equivalent Pt2- atoms to form distorted PtCo6Pt10 cuboctahedra that share corners with twelve PtCo6Pt6 cuboctahedra, edges with sixteen PtCo6Pt6 cuboctahedra, and faces with sixteen equivalent PtCo6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.71–5.42 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Dy3Ga9Pt2 by Materials Project

Dy3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to twelve Ga atoms to form distorted DyGa12 cuboctahedra that share edges with two equivalent GaDy4Ga4Pt4 cuboctahedra and faces with two equivalent DyGa12 cuboctahedra. There are eight shorter (3.16 Å) and four longer (3.26 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Dy–Pt bond lengths are 3.08 Å. There are a spread of Dy–Ga bond distances ranging from 3.09–3.50 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Dy and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.89 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Dy, four equivalent Pt, and four equivalent Ga atoms to form GaDy4Ga4Pt4 cuboctahedra that share edges with two equivalent DyGa12 cuboctahedra and faces with two equivalent GaDy4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.73 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.55–2.69 Å. In the third Ga site, Ga is bonded in a 2-coordinate geometry to four Dy, two equivalent Pt, and four Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeCuPt4 by Materials Project

CePt4Cu crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce3+ is bonded in a 3-coordinate geometry to fifteen Pt1- atoms. There are three shorter (3.10 Å) and twelve longer (3.46 Å) Ce–Pt bond lengths. There are two inequivalent Pt1- sites. In the first Pt1- site, Pt1- is bonded to three equivalent Ce3+, six equivalent Pt1-, and three equivalent Cu1+ atoms to form PtCe3Cu3Pt6 cuboctahedra that share corners with twelve equivalent PtCe4Cu2Pt6 cuboctahedra, edges with six equivalent PtCe3Cu3Pt6 cuboctahedra, and faces with twenty PtCe3Cu3Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.69 Å. All Pt–Cu bond lengths are 3.10 Å. In the second Pt1- site, Pt1- is bonded to four equivalent Ce3+, six Pt1-, and two equivalent Cu1+ atoms to form distorted PtCe4Cu2Pt6 cuboctahedra that share corners with twenty PtCe3Cu3Pt6 cuboctahedra, edges with ten equivalent PtCe4Cu2Pt6 cuboctahedra, and faces with sixteen PtCe3Cu3Pt6 cuboctahedra. There are two shorter (2.66 Å) and two longer (2.72 Å) Pt–Pt bond lengths. Both Pt–Cu bond lengths are 2.66 Å. Cu1+ is bonded in a 9-coordinate geometry to nine Pt1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrPt by Materials Project

PtCr crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six equivalent Pt2- atoms. All Cr–Pt bond lengths are 2.68 Å. In the second Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. All Cr–Pt bond lengths are 2.68 Å. In the third Cr2+ site, Cr2+ is bonded in a distorted hexagonal planar geometry to six Pt2- atoms. All Cr–Pt bond lengths are 2.68 Å. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six Cr2+ and six equivalent Pt2- atoms to form a mixture of distorted edge, corner, and face-sharing PtCr6Pt6 cuboctahedra. All Pt–Pt bond lengths are 2.71 Å. In the second Pt2- site, Pt2- is bonded to six Cr2+ and ten equivalent Pt2- atoms to form distorted PtCr6Pt10 cuboctahedra that share corners with twelve PtCr6Pt6 cuboctahedra, edges with sixteen PtCr6Pt6 cuboctahedra, and faces with sixteen equivalent PtCr6Pt10 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.71–5.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb4CdPt by Materials Project

Tb4PtCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 3-coordinate geometry to three equivalent Pt and three equivalent Cd atoms. All Tb–Pt bond lengths are 2.88 Å. All Tb–Cd bond lengths are 3.44 Å. In the second Tb site, Tb is bonded in a distorted bent 150 degrees geometry to two equivalent Pt and two equivalent Cd atoms. Both Tb–Pt bond lengths are 2.86 Å. Both Tb–Cd bond lengths are 3.53 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to two equivalent Pt and two equivalent Cd atoms. Both Tb–Pt bond lengths are 3.55 Å. Both Tb–Cd bond lengths are 3.29 Å. Pt is bonded in a 6-coordinate geometry to nine Tb atoms. Cd is bonded to nine Tb and three equivalent Cd atoms to form a mixture of distorted face and corner-sharing CdTb9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.19 Å.

36 MATERIALS SCIENCE↗
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Materials Data on Ba2PtAu by Materials Project

Ba2PtAu crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Au atoms. There are two shorter (3.42 Å) and one longer (3.46 Å) Ba–Pt bond lengths. All Ba–Au bond lengths are 3.39 Å. In the second Ba site, Ba is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Au atoms. All Ba–Pt bond lengths are 3.39 Å. There are two shorter (3.41 Å) and one longer (3.48 Å) Ba–Au bond lengths. Pt is bonded in a 9-coordinate geometry to seven Ba and two equivalent Au atoms. Both Pt–Au bond lengths are 3.04 Å. Au is bonded in a 9-coordinate geometry to seven Ba and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Dy2PdPt by Materials Project

Dy2PtPd crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 7-coordinate geometry to four equivalent Pt and three equivalent Pd atoms. There are two shorter (2.98 Å) and two longer (3.01 Å) Dy–Pt bond lengths. There are a spread of Dy–Pd bond distances ranging from 2.88–3.02 Å. In the second Dy site, Dy is bonded in a 7-coordinate geometry to three equivalent Pt and four equivalent Pd atoms. There are a spread of Dy–Pt bond distances ranging from 2.87–3.01 Å. There are two shorter (2.98 Å) and two longer (3.01 Å) Dy–Pd bond lengths. Pt is bonded in a 9-coordinate geometry to seven Dy and two equivalent Pd atoms. Both Pt–Pd bond lengths are 2.91 Å. Pd is bonded in a 9-coordinate geometry to seven Dy and two equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3Ga9Pt2 by Materials Project

Er3Pt2Ga9 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to twelve Ga atoms to form ErGa12 cuboctahedra that share edges with two equivalent GaEr4Ga4Pt4 cuboctahedra and faces with two equivalent ErGa12 cuboctahedra. There are eight shorter (3.14 Å) and four longer (3.24 Å) Er–Ga bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Er–Pt bond lengths are 3.05 Å. There are a spread of Er–Ga bond distances ranging from 3.07–3.46 Å. Pt is bonded in a 10-coordinate geometry to two equivalent Er and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.59–2.84 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Er, four equivalent Pt, and four equivalent Ga atoms to form GaEr4Ga4Pt4 cuboctahedra that share edges with two equivalent ErGa12 cuboctahedra and faces with two equivalent GaEr4Ga4Pt4 cuboctahedra. All Ga–Ga bond lengths are 2.71 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to four Er, one Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.53–2.68 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Er, two equivalent Pt, and four Ga atoms.

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