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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nd2CdNi2 by Materials Project

Nd2Ni2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are two shorter (2.91 Å) and four longer (2.96 Å) Nd–Ni bond lengths. All Nd–Cd bond lengths are 3.37 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Nd, one Ni, and two equivalent Cd atoms. The Ni–Ni bond length is 2.48 Å. Both Ni–Cd bond lengths are 3.01 Å. Cd is bonded to eight equivalent Nd and four equivalent Ni atoms to form a mixture of corner and face-sharing CdNd8Ni4 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd(Cd10Ni)2 by Materials Project

Nd(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.42 Å) and twelve longer (3.47 Å) Nd–Cd bond lengths. Ni is bonded to twelve Cd atoms to form NiCd12 cuboctahedra that share corners with six equivalent NiCd12 cuboctahedra, edges with eighteen equivalent CdNdCd10Ni cuboctahedra, and faces with six equivalent CdNdCd10Ni cuboctahedra. There are six shorter (2.80 Å) and six longer (3.08 Å) Ni–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Ni and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.12 Å. In the second Cd site, Cd is bonded to one Nd, one Ni, and ten Cd atoms to form distorted CdNdCd10Ni cuboctahedra that share corners with fifteen equivalent CdNdCd10Ni cuboctahedra, edges with two equivalent CdNdCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdNdCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.92–3.36 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Nd and twelve equivalent Cd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd4CdNi by Materials Project

Nd4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Nd–Ni bond lengths are 2.86 Å. All Nd–Cd bond lengths are 3.55 Å. In the second Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 2.86 Å. Both Nd–Cd bond lengths are 3.56 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Nd–Ni bond lengths are 3.57 Å. Both Nd–Cd bond lengths are 3.36 Å. Ni is bonded in a 6-coordinate geometry to nine Nd atoms. Cd is bonded to nine Nd and three equivalent Cd atoms to form a mixture of corner and face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.11 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd23Cd4Ni7 by Materials Project

Nd23Ni7Cd4 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are nine inequivalent Nd sites. In the first Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two Cd atoms. Both Nd–Ni bond lengths are 2.87 Å. There are one shorter (3.62 Å) and one longer (3.66 Å) Nd–Cd bond lengths. In the second Nd site, Nd is bonded in a distorted T-shaped geometry to three Ni atoms. There are two shorter (2.93 Å) and one longer (3.00 Å) Nd–Ni bond lengths. In the third Nd site, Nd is bonded in a distorted bent 150 degrees geometry to two Ni and two equivalent Cd atoms. There are one shorter (2.86 Å) and one longer (2.88 Å) Nd–Ni bond lengths. Both Nd–Cd bond lengths are 3.62 Å. In the fourth Nd site, Nd is bonded in a 3-coordinate geometry to three Ni and three Cd atoms. There are two shorter (2.88 Å) and one longer (2.89 Å) Nd–Ni bond lengths. There are two shorter (3.54 Å) and one longer (3.58 Å) Nd–Cd bond lengths. In the fifth Nd site, Nd is bonded in a 1-coordinate geometry to two equivalent Ni and one Cd atom. Both Nd–Ni bond lengths are 3.62 Å. The Nd–Cd bond length is 3.38 Å. In the sixth Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ni atoms. All Nd–Ni bond lengths are 2.90 Å. In the seventh Nd site, Nd is bonded in a 2-coordinate geometry to four Ni and one Cd atom. There are two shorter (2.81 Å) and two longer (3.60 Å) Nd–Ni bond lengths. The Nd–Cd bond length is 3.40 Å. In the eighth Nd site, Nd is bonded in a 4-coordinate geometry to two Ni and two equivalent Cd atoms. There are one shorter (3.46 Å) and one longer (3.61 Å) Nd–Ni bond lengths. Both Nd–Cd bond lengths are 3.39 Å. In the ninth Nd site, Nd is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Nd–Ni bond lengths are 2.86 Å. All Nd–Cd bond lengths are 3.58 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to nine Nd atoms. In the second Ni site, Ni is bonded in a 6-coordinate geometry to eight Nd atoms. In the third Ni site, Ni is bonded in a 6-coordinate geometry to nine Nd atoms. There are two inequivalent Cd sites. In the first Cd site, Cd is bonded to nine Nd and three equivalent Cd atoms to form face-sharing CdNd9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.16 Å. In the second Cd site, Cd is bonded to nine Nd and three Cd atoms to form a mixture of distorted corner and face-sharing CdNd9Cd3 cuboctahedra. Both Cd–Cd bond lengths are 3.18 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdCdNi4 by Materials Project

NdNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Nd is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Nd–Ni bond lengths are 2.96 Å. All Nd–Cd bond lengths are 3.09 Å. Ni is bonded to three equivalent Nd, six equivalent Ni, and three equivalent Cd atoms to form a mixture of face, edge, and corner-sharing NiNd3Cd3Ni6 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.55 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.95 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Nd and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗