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At least 991 records · Page 55
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DOE OSTI2020

Materials Data on Sm2CdGe2 by Materials Project

Sm2CdGe2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Sm is bonded in a 6-coordinate geometry to four equivalent Cd and six equivalent Ge atoms. All Sm–Cd bond lengths are 3.49 Å. There are two shorter (3.02 Å) and four longer (3.13 Å) Sm–Ge bond lengths. Cd is bonded to eight equivalent Sm and four equivalent Ge atoms to form a mixture of face and corner-sharing CdSm8Ge4 cuboctahedra. All Cd–Ge bond lengths are 2.96 Å. Ge is bonded in a 9-coordinate geometry to six equivalent Sm, two equivalent Cd, and one Ge atom. The Ge–Ge bond length is 2.55 Å.

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Materials Data on SmNiBi by Materials Project

SmNiBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Ni and six equivalent Bi atoms. All Sm–Ni bond lengths are 2.84 Å. All Sm–Bi bond lengths are 3.28 Å. Ni is bonded in a body-centered cubic geometry to four equivalent Sm and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.84 Å. Bi is bonded in a distorted q6 geometry to six equivalent Sm and four equivalent Ni atoms.

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Materials Data on Sm3Ni3Bi4 by Materials Project

Sm3Ni3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to four equivalent Ni and eight equivalent Bi atoms. All Sm–Ni bond lengths are 3.00 Å. There are four shorter (3.32 Å) and four longer (3.47 Å) Sm–Bi bond lengths. Ni is bonded in a 8-coordinate geometry to four equivalent Sm and four equivalent Bi atoms. All Ni–Bi bond lengths are 2.71 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Ni atoms.

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Materials Data on Sm3Ge13Ru4 by Materials Project

Sm3Ru4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Ru and twelve equivalent Ge atoms. All Sm–Ru bond lengths are 3.22 Å. There are eight shorter (3.22 Å) and four longer (3.25 Å) Sm–Ge bond lengths. Ru is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Ru–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Ru, and one Ge atom. The Ge–Ge bond length is 3.00 Å. 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 SmYFe4 by Materials Project

SmYFe4 is Cubic 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 four equivalent Y and twelve equivalent Fe atoms. All Sm–Y bond lengths are 3.20 Å. All Sm–Fe bond lengths are 3.06 Å. Y is bonded in a 12-coordinate geometry to four equivalent Sm and twelve equivalent Fe atoms. All Y–Fe bond lengths are 3.06 Å. Fe is bonded to three equivalent Sm, three equivalent Y, and six equivalent Fe atoms to form a mixture of face, edge, and corner-sharing FeSm3Y3Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.61 Å.

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Materials Data on Sm2GaCo2 by Materials Project

Sm2Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Sm is bonded in a 10-coordinate geometry to six equivalent Co and four equivalent Ga atoms. There are four shorter (2.96 Å) and two longer (2.97 Å) Sm–Co bond lengths. There are two shorter (3.25 Å) and two longer (3.27 Å) Sm–Ga bond lengths. Co is bonded in a 9-coordinate geometry to six equivalent Sm, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.35 Å. Both Co–Ga bond lengths are 2.59 Å. Ga is bonded to eight equivalent Sm and four equivalent Co atoms to form a mixture of edge and face-sharing GaSm8Co4 cuboctahedra.

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DOE OSTI2020

Materials Data on LiSm2Ga by Materials Project

LiSm2Ga 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 3.19 Å. Sm is bonded in a body-centered cubic geometry to four equivalent Li and four equivalent Ga atoms. All Sm–Ga bond lengths are 3.19 Å. Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Sm by Materials Project

Ca3Sm is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a distorted body-centered cubic geometry to four equivalent Ca and four equivalent Sm atoms. All Ca–Ca bond lengths are 3.69 Å. All Ca–Sm bond lengths are 3.69 Å. In the second Ca site, Ca is bonded in a 8-coordinate geometry to eight equivalent Ca and six equivalent Sm atoms. All Ca–Sm bond lengths are 4.26 Å. Sm is bonded in a distorted body-centered cubic geometry to fourteen Ca atoms.

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Materials Data on SmAgSn by Materials Project

SmAgSn crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Ag and six equivalent Sn atoms. There are a spread of Sm–Ag bond distances ranging from 3.23–3.41 Å. There are a spread of Sm–Sn bond distances ranging from 3.25–3.76 Å. Ag is bonded in a 10-coordinate geometry to six equivalent Sm, three equivalent Ag, and one Sn atom. All Ag–Ag bond lengths are 2.83 Å. The Ag–Sn bond length is 3.22 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm, one Ag, and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.95 Å.

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DOE OSTI2020

Materials Data on SmGaPt by Materials Project

SmPtGa crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 1-coordinate geometry to five equivalent Pt and six equivalent Ga atoms. There are a spread of Sm–Pt bond distances ranging from 2.96–3.14 Å. There are a spread of Sm–Ga bond distances ranging from 3.13–3.29 Å. Pt is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.63–2.78 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Pt atoms.

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Materials Data on Sm3Ge13Os4 by Materials Project

Sm3Os4Ge13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to four equivalent Os and twelve equivalent Ge atoms. All Sm–Os bond lengths are 3.23 Å. There are eight shorter (3.22 Å) and four longer (3.27 Å) Sm–Ge bond lengths. Os is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Ge atoms. All Os–Ge bond lengths are 2.51 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to three equivalent Sm, two equivalent Os, and one Ge atom. The Ge–Ge bond length is 3.04 Å. In the second Ge site, Ge is bonded in a cuboctahedral geometry to twelve equivalent Ge atoms.

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Materials Data on Sm14Au51 by Materials Project

Au51Sm14 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 11-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Sm–Au bond distances ranging from 3.10–3.44 Å. In the second Sm3+ site, Sm3+ is bonded in a 8-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Sm–Au bond distances ranging from 3.09–3.37 Å. In the third Sm3+ site, Sm3+ is bonded in a 2-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Sm–Au bond distances ranging from 3.10–3.70 Å. In the fourth Sm3+ site, Sm3+ is bonded in a 1-coordinate geometry to fourteen Au+0.82- atoms. There are a spread of Sm–Au bond distances ranging from 2.99–3.42 Å. In the fifth Sm3+ site, Sm3+ is bonded in a 9-coordinate geometry to fifteen Au+0.82- atoms. There are a spread of Sm–Au bond distances ranging from 3.16–3.42 Å. There are thirteen inequivalent Au+0.82- sites. In the first Au+0.82- site, Au+0.82- is bonded in a 12-coordinate geometry to four Sm3+ and eight Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.81–3.15 Å. In the second Au+0.82- site, Au+0.82- is bonded to four Sm3+ and eight Au+0.82- atoms to form a mixture of distorted edge and face-sharing AuSm4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.78–2.97 Å. In the third Au+0.82- site, Au+0.82- is bonded in a 12-coordinate geometry to four Sm3+ and eight Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.80–3.17 Å. In the fourth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four Sm3+ and seven Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.83–3.08 Å. In the fifth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four Sm3+ and seven Au+0.82- atoms. There are a spread of Au–Au bond distances ranging from 2.82–3.11 Å. In the sixth Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and seven Au+0.82- atoms. There are one shorter (2.89 Å) and three longer (2.93 Å) Au–Au bond lengths. In the seventh Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to three equivalent Sm3+ and seven Au+0.82- atoms. There are one shorter (2.89 Å) and three longer (2.93 Å) Au–Au bond lengths. In the eighth Au+0.82- site, Au+0.82- is bonded to four Sm3+ and eight Au+0.82- atoms to form a mixture of distorted edge and face-sharing AuSm4Au8 cuboctahedra. Both Au–Au bond lengths are 2.86 Å. In the ninth Au+0.82- site, Au+0.82- is bonded in a distorted trigonal planar geometry to three equivalent Sm3+ and eight Au+0.82- atoms. In the tenth Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to three equivalent Sm3+ and eight Au+0.82- atoms. In the eleventh Au+0.82- site, Au+0.82- is bonded in a 11-coordinate geometry to four Sm3+ and seven Au+0.82- atoms. The Au–Au bond length is 3.11 Å. In the twelfth Au+0.82- site, Au+0.82- is bonded in a 3-coordinate geometry to four Sm3+ and six Au+0.82- atoms. Both Au–Au bond lengths are 2.88 Å. In the thirteenth Au+0.82- site, Au+0.82- is bonded in a 4-coordinate geometry to four Sm3+ and seven Au+0.82- atoms. The Au–Au bond length is 3.06 Å.

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Materials Data on Sm2GaAg by Materials Project

Sm2AgGa 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 Ag and four equivalent Ga atoms. All Sm–Ag bond lengths are 3.20 Å. All Sm–Ga bond lengths are 3.20 Å. Ag is bonded in a body-centered cubic geometry to eight equivalent Sm atoms. Ga is bonded in a body-centered cubic geometry to eight equivalent Sm atoms.

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Materials Data on Sm3AlN by Materials Project

Sm3AlN 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 Al and two equivalent N atoms. All Sm–Al bond lengths are 3.48 Å. Both Sm–N bond lengths are 2.46 Å. Al is bonded to twelve equivalent Sm atoms to form AlSm12 cuboctahedra that share corners with twelve equivalent AlSm12 cuboctahedra, faces with six equivalent AlSm12 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 AlSm12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on SmCuSn by Materials Project

SmCuSn 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 Cu and six equivalent Sn atoms to form a mixture of edge and face-sharing SmCu6Sn6 cuboctahedra. All Sm–Cu bond lengths are 3.25 Å. All Sm–Sn bond lengths are 3.25 Å. Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Cu–Sn bond lengths are 2.63 Å. Sn is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmNiGe by Materials Project

SmNiGe crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to six equivalent Ni and six equivalent Ge atoms. There are a spread of Sm–Ni bond distances ranging from 2.93–3.35 Å. There are a spread of Sm–Ge bond distances ranging from 3.02–3.13 Å. Ni is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.50–2.65 Å. Ge is bonded in a 10-coordinate geometry to six equivalent Sm and four equivalent Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSiPd by Materials Project

SmPdSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Sm2+ sites. In the first Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to six Pd2+ and six Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 2.99–3.15 Å. There are a spread of Sm–Si bond distances ranging from 3.12–3.29 Å. In the second Sm2+ site, Sm2+ is bonded in a 6-coordinate geometry to six Si4- atoms. There are a spread of Sm–Si bond distances ranging from 3.00–3.15 Å. In the third Sm2+ site, Sm2+ is bonded in a 1-coordinate geometry to six Pd2+ and six Si4- atoms. There are a spread of Sm–Pd bond distances ranging from 2.96–3.17 Å. There are a spread of Sm–Si bond distances ranging from 3.09–3.28 Å. There are three inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a 4-coordinate geometry to five Sm2+ and three Si4- atoms. There are one shorter (2.53 Å) and two longer (2.54 Å) Pd–Si bond lengths. In the second Pd2+ site, Pd2+ is bonded in a 3-coordinate geometry to three equivalent Sm2+ and three equivalent Si4- atoms. There are two shorter (2.54 Å) and one longer (2.61 Å) Pd–Si bond lengths. In the third Pd2+ site, Pd2+ is bonded in a 6-coordinate geometry to four Sm2+ and four Si4- atoms. There are a spread of Pd–Si bond distances ranging from 2.56–2.90 Å. There are three inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+ and four Pd2+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+, three equivalent Pd2+, and one Si4- atom. The Si–Si bond length is 2.64 Å. In the third Si4- site, Si4- is bonded in a 10-coordinate geometry to six Sm2+, three Pd2+, and one Si4- atom.

36 MATERIALS SCIENCE↗
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Materials Data on SmGePd2 by Materials Project

SmPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Sm–Pd bond distances ranging from 3.06–3.20 Å. There are a spread of Sm–Ge bond distances ranging from 3.05–3.12 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Sm and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.55–2.69 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Pd atoms.

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