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At least 955 records · Page 53
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DOE OSTI2020

Materials Data on SmCo2Ni3 by Materials Project

SmCo2Ni3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Co and twelve equivalent Ni atoms. All Sm–Co bond lengths are 2.83 Å. All Sm–Ni bond lengths are 3.16 Å. Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Ni atoms. All Co–Ni bond lengths are 2.44 Å. Ni is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ni atoms to form a mixture of corner, edge, and face-sharing NiSm4Co4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.45 Å.

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Materials Data on Sm2InNi2 by Materials Project

Sm2Ni2In crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Ni and four equivalent In atoms. There are two shorter (2.89 Å) and four longer (2.93 Å) Sm–Ni bond lengths. All Sm–In bond lengths are 3.36 Å. Ni is bonded in a 9-coordinate geometry to six equivalent Sm, one Ni, and two equivalent In atoms. The Ni–Ni bond length is 2.53 Å. Both Ni–In bond lengths are 3.01 Å. In is bonded to eight equivalent Sm and four equivalent Ni atoms to form a mixture of corner and face-sharing InSm8Ni4 cuboctahedra.

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Materials Data on Sm2CdCu2 by Materials Project

Sm2Cu2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Cu and four equivalent Cd atoms. There are two shorter (2.92 Å) and four longer (2.99 Å) Sm–Cu bond lengths. All Sm–Cd bond lengths are 3.40 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Sm, one Cu, and two equivalent Cd atoms. The Cu–Cu bond length is 2.55 Å. Both Cu–Cd bond lengths are 3.11 Å. Cd is bonded to eight equivalent Sm and four equivalent Cu atoms to form a mixture of corner and face-sharing CdSm8Cu4 cuboctahedra.

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DOE OSTI2020

Materials Data on Na3Sm by Materials Project

Na3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to eight Na and four equivalent Sm atoms to form NaNa8Sm4 cuboctahedra that share corners with twelve equivalent NaNa8Sm4 cuboctahedra, edges with eight equivalent NaNa8Sm4 cuboctahedra, edges with eight equivalent SmNa12 cuboctahedra, faces with four equivalent SmNa12 cuboctahedra, and faces with ten equivalent NaNa8Sm4 cuboctahedra. There are four shorter (3.52 Å) and four longer (3.73 Å) Na–Na bond lengths. All Na–Sm bond lengths are 3.73 Å. In the second Na site, Na is bonded in a distorted square co-planar geometry to eight equivalent Na and four equivalent Sm atoms. All Na–Sm bond lengths are 3.52 Å. Sm is bonded to twelve Na atoms to form SmNa12 cuboctahedra that share corners with four equivalent SmNa12 cuboctahedra, edges with eight equivalent SmNa12 cuboctahedra, edges with sixteen equivalent NaNa8Sm4 cuboctahedra, faces with four equivalent SmNa12 cuboctahedra, and faces with eight equivalent NaNa8Sm4 cuboctahedra.

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DOE OSTI2020

Materials Data on Sm3Ge13Ir4 by Materials Project

Sm3Ir4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ir and twelve equivalent Ge atoms. All Sm–Ir bond lengths are 3.22 Å. There are eight shorter (3.17 Å) and four longer (3.26 Å) Sm–Ge bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Ir–Ge bond lengths are 2.52 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to three equivalent Sm, two equivalent Ir, and two Ge atoms. There are one shorter (2.66 Å) and one longer (3.10 Å) Ge–Ge bond lengths. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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DOE OSTI2020

Materials Data on SmDyFe4 by Materials Project

DySmFe4 is Cubic Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Fe atoms. All Dy–Sm bond lengths are 3.17 Å. All Dy–Fe bond lengths are 3.03 Å. Sm is bonded in a 12-coordinate geometry to four equivalent Dy and twelve equivalent Fe atoms. All Sm–Fe bond lengths are 3.03 Å. Fe is bonded to three equivalent Dy, three equivalent Sm, and six equivalent Fe atoms to form a mixture of edge, corner, and face-sharing FeSm3Dy3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.59 Å.

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DOE OSTI2020

Materials Data on Sm3Sn13Ir4 by Materials Project

Sm3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Sm–Ir bond lengths are 3.47 Å. There are eight shorter (3.44 Å) and four longer (3.46 Å) Sm–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

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Materials Data on LiSm2Al by Materials Project

LiSm2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. All Li–Sm bond lengths are 3.22 Å. Sm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Al atoms. All Sm–Al bond lengths are 3.22 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on SmGaCo by Materials Project

SmCoGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 7-coordinate geometry to six equivalent Co and five equivalent Ga atoms. There are a spread of Sm–Co bond distances ranging from 2.92–3.35 Å. There are a spread of Sm–Ga bond distances ranging from 2.88–2.99 Å. Co is bonded in a 10-coordinate geometry to six equivalent Sm, two equivalent Co, and two equivalent Ga atoms. Both Co–Co bond lengths are 2.88 Å. There are one shorter (2.43 Å) and one longer (2.44 Å) Co–Ga bond lengths. Ga is bonded to five equivalent Sm and two equivalent Co atoms to form a mixture of distorted edge and corner-sharing GaSm5Co2 pentagonal bipyramids.

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Materials Data on Sm2HgPb by Materials Project

Sm2HgPb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a body-centered cubic geometry to four equivalent Hg and four equivalent Pb atoms. All Sm–Hg bond lengths are 3.33 Å. All Sm–Pb bond lengths are 3.33 Å. Hg is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Pb is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on SmAl4 by Materials Project

Al4Sm crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to thirteen Al atoms. There are a spread of Sm–Al bond distances ranging from 3.12–3.20 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to three equivalent Sm and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.65–2.93 Å. In the second Al site, Al is bonded in a 6-coordinate geometry to four equivalent Sm and two equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Sm and six equivalent Al atoms.

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Materials Data on SmCo3Ni2 by Materials Project

SmCo3Ni2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded in a distorted hexagonal planar geometry to twelve equivalent Co and six equivalent Ni atoms. All Sm–Co bond lengths are 3.18 Å. All Sm–Ni bond lengths are 2.84 Å. Co is bonded to four equivalent Sm, four equivalent Co, and four equivalent Ni atoms to form a mixture of corner, edge, and face-sharing CoSm4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.46 Å. All Co–Ni bond lengths are 2.47 Å. Ni is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms.

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Materials Data on Ba3Sm by Materials Project

Ba3Sm is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ba sites. In the first Ba site, Ba is bonded to eight Ba and four equivalent Sm atoms to form BaBa8Sm4 cuboctahedra that share corners with twelve equivalent BaBa8Sm4 cuboctahedra, edges with eight equivalent SmBa12 cuboctahedra, edges with sixteen BaBa8Sm4 cuboctahedra, faces with four equivalent SmBa12 cuboctahedra, and faces with fourteen BaBa8Sm4 cuboctahedra. There are four shorter (4.21 Å) and four longer (4.23 Å) Ba–Ba bond lengths. All Ba–Sm bond lengths are 4.21 Å. In the second Ba site, Ba is bonded to eight equivalent Ba and four equivalent Sm atoms to form BaBa8Sm4 cuboctahedra that share corners with four equivalent BaBa8Sm4 cuboctahedra, corners with eight equivalent SmBa12 cuboctahedra, edges with twenty-four BaBa8Sm4 cuboctahedra, faces with six equivalent SmBa12 cuboctahedra, and faces with twelve BaBa8Sm4 cuboctahedra. All Ba–Sm bond lengths are 4.23 Å. Sm is bonded to twelve Ba atoms to form SmBa12 cuboctahedra that share corners with four equivalent SmBa12 cuboctahedra, corners with eight equivalent BaBa8Sm4 cuboctahedra, edges with eight equivalent SmBa12 cuboctahedra, edges with sixteen equivalent BaBa8Sm4 cuboctahedra, faces with four equivalent SmBa12 cuboctahedra, and faces with fourteen BaBa8Sm4 cuboctahedra.

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Materials Data on Sm6Mn23 by Materials Project

Sm6Mn23 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to twelve Mn atoms. There are a spread of Sm–Mn bond distances ranging from 2.94–3.14 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to three equivalent Sm and nine Mn atoms to form distorted MnSm3Mn9 cuboctahedra that share corners with twelve MnSm3Mn9 cuboctahedra and faces with twelve MnSm4Mn8 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.44–2.69 Å. In the second Mn site, Mn is bonded in a body-centered cubic geometry to eight equivalent Mn atoms. All Mn–Mn bond lengths are 2.53 Å. In the third Mn site, Mn is bonded to four equivalent Sm and eight Mn atoms to form a mixture of face and corner-sharing MnSm4Mn8 cuboctahedra. All Mn–Mn bond lengths are 2.71 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to three equivalent Sm and ten Mn atoms. All Mn–Mn bond lengths are 2.92 Å.

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Materials Data on SmSnAu by Materials Project

SmAuSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded to six equivalent Au and six equivalent Sn atoms to form a mixture of edge and face-sharing SmSn6Au6 cuboctahedra. All Sm–Au bond lengths are 3.35 Å. All Sm–Sn bond lengths are 3.35 Å. Au is bonded in a 3-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Au–Sn bond lengths are 2.73 Å. Sn is bonded in a 3-coordinate geometry to six equivalent Sm and three equivalent Au atoms.

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Materials Data on Sm2CdRh2 by Materials Project

Sm2Rh2Cd crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to six equivalent Rh and four equivalent Cd atoms. There are two shorter (2.88 Å) and four longer (3.00 Å) Sm–Rh bond lengths. All Sm–Cd bond lengths are 3.42 Å. Rh is bonded in a 9-coordinate geometry to six equivalent Sm and two equivalent Cd atoms. Both Rh–Cd bond lengths are 2.96 Å. Cd is bonded to eight equivalent Sm and four equivalent Rh atoms to form a mixture of distorted face and corner-sharing CdSm8Rh4 cuboctahedra.

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Materials Data on SmAlZn by Materials Project

SmZnAl crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Zn and six equivalent Al atoms. There are a spread of Sm–Zn bond distances ranging from 3.08–3.34 Å. There are a spread of Sm–Al bond distances ranging from 3.14–3.34 Å. Zn is bonded in a 10-coordinate geometry to six equivalent Sm, one Zn, and three equivalent Al atoms. The Zn–Zn bond length is 2.64 Å. There are two shorter (2.64 Å) and one longer (2.92 Å) Zn–Al bond lengths. Al is bonded in a 10-coordinate geometry to six equivalent Sm, three equivalent Zn, and one Al atom. The Al–Al bond length is 2.61 Å.

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Materials Data on Sm3SnN by Materials Project

Sm3SnN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded in a linear geometry to four equivalent Sn and two equivalent N atoms. All Sm–Sn bond lengths are 3.49 Å. Both Sm–N bond lengths are 2.47 Å. Sn is bonded to twelve equivalent Sm atoms to form SnSm12 cuboctahedra that share corners with twelve equivalent SnSm12 cuboctahedra, faces with six equivalent SnSm12 cuboctahedra, and faces with eight equivalent NSm6 octahedra. N is bonded to six equivalent Sm atoms to form NSm6 octahedra that share corners with six equivalent NSm6 octahedra and faces with eight equivalent SnSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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