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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm4CdNi by Materials Project

Sm4NiCd crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 3-coordinate geometry to three equivalent Ni and three equivalent Cd atoms. All Sm–Ni bond lengths are 2.83 Å. All Sm–Cd bond lengths are 3.50 Å. In the second Sm site, Sm is bonded in a distorted bent 150 degrees geometry to two equivalent Ni and two equivalent Cd atoms. Both Sm–Ni bond lengths are 2.83 Å. Both Sm–Cd bond lengths are 3.54 Å. In the third Sm site, Sm is bonded in a 4-coordinate geometry to two equivalent Ni and two equivalent Cd atoms. Both Sm–Ni bond lengths are 3.53 Å. Both Sm–Cd bond lengths are 3.32 Å. Ni is bonded in a 6-coordinate geometry to nine Sm atoms. Cd is bonded to nine Sm and three equivalent Cd atoms to form a mixture of corner and face-sharing CdSm9Cd3 cuboctahedra. All Cd–Cd bond lengths are 3.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmCdNi4 by Materials Project

SmNi4Cd is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Cd atoms. All Sm–Ni bond lengths are 2.94 Å. All Sm–Cd bond lengths are 3.07 Å. Ni is bonded to three equivalent Sm, six equivalent Ni, and three equivalent Cd atoms to form a mixture of edge, corner, and face-sharing NiSm3Cd3Ni6 cuboctahedra. There are three shorter (2.48 Å) and three longer (2.53 Å) Ni–Ni bond lengths. All Ni–Cd bond lengths are 2.94 Å. Cd is bonded in a 4-coordinate geometry to four equivalent Sm and twelve equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2CdNi2 by Materials Project

Sm2Ni2Cd crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Ni and four equivalent Cd atoms. There are four shorter (2.88 Å) and two longer (3.01 Å) Sm–Ni bond lengths. All Sm–Cd bond lengths are 3.36 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Sm, two equivalent Ni, and one Cd atom. Both Ni–Ni bond lengths are 2.41 Å. The Ni–Cd bond length is 2.90 Å. Cd is bonded in a distorted q6 geometry to eight equivalent Sm and two equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(Cd10Ni)2 by Materials Project

Sm(NiCd10)2 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to sixteen Cd atoms. There are four shorter (3.41 Å) and twelve longer (3.45 Å) Sm–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 CdSmCd10Ni cuboctahedra, and faces with six equivalent CdSmCd10Ni cuboctahedra. There are six shorter (2.79 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 distorted linear 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 Sm, one Ni, and ten Cd atoms to form distorted CdSmCd10Ni cuboctahedra that share corners with fifteen equivalent CdSmCd10Ni cuboctahedra, edges with two equivalent CdSmCd10Ni cuboctahedra, edges with three equivalent NiCd12 cuboctahedra, a faceface with one NiCd12 cuboctahedra, and faces with fifteen equivalent CdSmCd10Ni cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.90–3.35 Å. In the third Cd site, Cd is bonded in a distorted linear geometry to two equivalent Sm and twelve equivalent Cd atoms.

36 MATERIALS SCIENCE↗