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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd(GePt)2 by Materials Project

Nd(PtGe)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to eight equivalent Pt and eight equivalent Ge atoms. All Nd–Pt bond lengths are 3.34 Å. All Nd–Ge bond lengths are 3.37 Å. Pt is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. All Pt–Ge bond lengths are 2.54 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Nd, four equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(Ge3Pt)4 by Materials Project

Nd(PtGe3)4 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd is bonded to twelve equivalent Ge atoms to form NdGe12 cuboctahedra that share faces with eight equivalent PtGe6 octahedra. All Nd–Ge bond lengths are 3.36 Å. Pt is bonded to six equivalent Ge atoms to form PtGe6 octahedra that share corners with six equivalent PtGe6 octahedra and faces with two equivalent NdGe12 cuboctahedra. The corner-sharing octahedral tilt angles are 60°. All Pt–Ge bond lengths are 2.52 Å. Ge is bonded in a 2-coordinate geometry to one Nd, two equivalent Pt, and two equivalent Ge atoms. There are one shorter (2.55 Å) and one longer (2.63 Å) Ge–Ge bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(Ge3Pt2)2 by Materials Project

Nd3(Pt2Ge3)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to six Pt and eight Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.27–3.30 Å. There are six shorter (3.11 Å) and two longer (3.15 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded in a 2-coordinate geometry to six Pt and nine Ge atoms. There are four shorter (3.35 Å) and two longer (3.39 Å) Nd–Pt bond lengths. There are a spread of Nd–Ge bond distances ranging from 3.28–3.47 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to six Pt and nine Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.36–3.44 Å. There are a spread of Nd–Ge bond distances ranging from 3.25–3.46 Å. There are four inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.51–2.75 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.48–2.54 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.73 Å. In the fourth Pt site, Pt is bonded in a 5-coordinate geometry to four Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.45–2.55 Å. There are six inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four Nd and four Pt atoms. In the second Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the third Ge site, Ge is bonded in a distorted trigonal planar geometry to four Nd and three Pt atoms. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three Pt, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Pt atoms. In the sixth Ge site, Ge is bonded in a 8-coordinate geometry to four Nd and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd2Ge3Pt by Materials Project

Nd2PtGe3 is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to two equivalent Pt and ten Ge atoms to form a mixture of edge and face-sharing NdGe10Pt2 cuboctahedra. Both Nd–Pt bond lengths are 3.20 Å. There are six shorter (3.28 Å) and four longer (3.30 Å) Nd–Ge bond lengths. In the second Nd site, Nd is bonded to four equivalent Pt and eight Ge atoms to form a mixture of edge and face-sharing NdGe8Pt4 cuboctahedra. All Nd–Pt bond lengths are 3.28 Å. There are a spread of Nd–Ge bond distances ranging from 3.17–3.27 Å. Pt is bonded in a 3-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.44 Å) and two longer (2.47 Å) Pt–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Nd and three Ge atoms. There are one shorter (2.51 Å) and two longer (2.54 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Nd, two equivalent Pt, and one Ge atom. In the third Ge site, Ge is bonded in a 1-coordinate geometry to six Nd, one Pt, and two equivalent Ge atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdGePt by Materials Project

NdPtGe crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to six equivalent Pt and six equivalent Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.06–3.34 Å. There are a spread of Nd–Ge bond distances ranging from 3.13–3.38 Å. Pt is bonded in a 10-coordinate geometry to six equivalent Nd, one Pt, and three equivalent Ge atoms. The Pt–Pt bond length is 2.90 Å. There are two shorter (2.55 Å) and one longer (2.92 Å) Pt–Ge bond lengths. Ge is bonded in a 10-coordinate geometry to six equivalent Nd, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.69 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(GePt)2 by Materials Project

Nd(PtGe)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of Nd–Pt bond distances ranging from 3.29–3.44 Å. There are a spread of Nd–Ge bond distances ranging from 3.26–3.41 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to four equivalent Nd and five Ge atoms. There are one shorter (2.47 Å) and four longer (2.53 Å) Pt–Ge bond lengths. In the second Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Ge atoms. There are one shorter (2.56 Å) and three longer (2.57 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Nd and five Pt atoms. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Nd and four equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdGe2Pt by Materials Project

NdPtGe2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded in a 8-coordinate geometry to four equivalent Pt and ten Ge atoms. All Nd–Pt bond lengths are 3.33 Å. There are a spread of Nd–Ge bond distances ranging from 3.31–3.45 Å. In the second Nd site, Nd is bonded in a 8-coordinate geometry to six equivalent Pt and eight Ge atoms. All Nd–Pt bond lengths are 3.29 Å. There are four shorter (3.06 Å) and four longer (3.09 Å) Nd–Ge bond lengths. Pt is bonded in a 10-coordinate geometry to five Nd and five Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.52–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to four equivalent Nd and two equivalent Pt atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Nd, two equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.49 Å. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four Nd, three equivalent Pt, and one Ge atom. The Ge–Ge bond length is 2.70 Å.

36 MATERIALS SCIENCE↗