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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on Sm2(Ga3Co)3 by Materials Project

Sm2(CoGa3)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to eleven Ga atoms. There are a spread of Sm–Ga bond distances ranging from 3.00–3.07 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.55 Å) and four longer (2.56 Å) Co–Ga bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to eight Ga atoms. There are a spread of Co–Ga bond distances ranging from 2.53–2.56 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.71–2.83 Å. In the second Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, two equivalent Co, and six Ga atoms. All Ga–Ga bond lengths are 2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to two equivalent Sm, three Co, and five Ga atoms. There are one shorter (2.68 Å) and two longer (2.74 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Sm, three Co, and five Ga atoms. There are one shorter (2.81 Å) and one longer (2.85 Å) Ga–Ga bond lengths.

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Materials Data on Sm3Dy by Materials Project

DySm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Dy is bonded to twelve equivalent Sm atoms to form DySm12 cuboctahedra that share corners with twelve equivalent DySm12 cuboctahedra, edges with twenty-four equivalent SmSm8Dy4 cuboctahedra, faces with six equivalent DySm12 cuboctahedra, and faces with twelve equivalent SmSm8Dy4 cuboctahedra. All Dy–Sm bond lengths are 3.61 Å. Sm is bonded to four equivalent Dy and eight equivalent Sm atoms to form SmSm8Dy4 cuboctahedra that share corners with twelve equivalent SmSm8Dy4 cuboctahedra, edges with eight equivalent DySm12 cuboctahedra, edges with sixteen equivalent SmSm8Dy4 cuboctahedra, faces with four equivalent DySm12 cuboctahedra, and faces with fourteen equivalent SmSm8Dy4 cuboctahedra. All Sm–Sm bond lengths are 3.61 Å.

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Materials Data on Sm3Er by Materials Project

ErSm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er is bonded to twelve equivalent Sm atoms to form ErSm12 cuboctahedra that share corners with twelve equivalent ErSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Er4 cuboctahedra, faces with six equivalent ErSm12 cuboctahedra, and faces with twelve equivalent SmSm8Er4 cuboctahedra. All Er–Sm bond lengths are 3.60 Å. Sm is bonded to four equivalent Er and eight equivalent Sm atoms to form SmSm8Er4 cuboctahedra that share corners with twelve equivalent SmSm8Er4 cuboctahedra, edges with eight equivalent ErSm12 cuboctahedra, edges with sixteen equivalent SmSm8Er4 cuboctahedra, faces with four equivalent ErSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Er4 cuboctahedra. All Sm–Sm bond lengths are 3.60 Å.

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Materials Data on Sm2Fe17C3 by Materials Project

Sm2Fe17C3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm is bonded in a distorted trigonal planar geometry to four Fe and three equivalent C atoms. There are one shorter (3.11 Å) and three longer (3.35 Å) Sm–Fe bond lengths. All Sm–C bond lengths are 2.51 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Sm and ten Fe atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with four equivalent FeSm2Fe10 cuboctahedra, corners with two equivalent CSm2Fe4 octahedra, faces with four equivalent FeSm2Fe10 cuboctahedra, and faces with four equivalent CSm2Fe4 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of Fe–Fe bond distances ranging from 2.45–2.67 Å. In the second Fe site, Fe is bonded in a single-bond geometry to four Fe and one C atom. Both Fe–Fe bond lengths are 2.74 Å. The Fe–C bond length is 1.88 Å. In the third Fe site, Fe is bonded in a single-bond geometry to three Fe and one C atom. The Fe–Fe bond length is 2.66 Å. The Fe–C bond length is 1.91 Å. In the fourth Fe site, Fe is bonded in a 2-coordinate geometry to one Sm and thirteen Fe atoms. The Fe–Fe bond length is 2.37 Å. C is bonded to two equivalent Sm and four Fe atoms to form CSm2Fe4 octahedra that share corners with two equivalent FeSm2Fe10 cuboctahedra, corners with four equivalent CSm2Fe4 octahedra, and faces with four equivalent FeSm2Fe10 cuboctahedra. The corner-sharing octahedral tilt angles are 60°.

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Materials Data on PrSm3 by Materials Project

Sm3Pr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Pr atoms to form SmPr4Sm8 cuboctahedra that share corners with twelve equivalent SmPr4Sm8 cuboctahedra, edges with eight equivalent PrSm12 cuboctahedra, edges with sixteen equivalent SmPr4Sm8 cuboctahedra, faces with four equivalent PrSm12 cuboctahedra, and faces with fourteen equivalent SmPr4Sm8 cuboctahedra. All Sm–Sm bond lengths are 3.66 Å. All Sm–Pr bond lengths are 3.66 Å. Pr is bonded to twelve equivalent Sm atoms to form PrSm12 cuboctahedra that share corners with twelve equivalent PrSm12 cuboctahedra, edges with twenty-four equivalent SmPr4Sm8 cuboctahedra, faces with six equivalent PrSm12 cuboctahedra, and faces with twelve equivalent SmPr4Sm8 cuboctahedra.

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Materials Data on Sm3Hf by Materials Project

Sm3Hf is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sm is bonded to eight equivalent Sm and four equivalent Hf atoms to form SmSm8Hf4 cuboctahedra that share corners with twelve equivalent SmSm8Hf4 cuboctahedra, edges with eight equivalent HfSm12 cuboctahedra, edges with sixteen equivalent SmSm8Hf4 cuboctahedra, faces with four equivalent HfSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Hf4 cuboctahedra. All Sm–Sm bond lengths are 3.50 Å. All Sm–Hf bond lengths are 3.50 Å. Hf is bonded to twelve equivalent Sm atoms to form HfSm12 cuboctahedra that share corners with twelve equivalent HfSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Hf4 cuboctahedra, faces with six equivalent HfSm12 cuboctahedra, and faces with twelve equivalent SmSm8Hf4 cuboctahedra.

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Materials Data on Sm3Ho by Materials Project

HoSm3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Sm atoms to form HoSm12 cuboctahedra that share corners with twelve equivalent HoSm12 cuboctahedra, edges with twenty-four equivalent SmSm8Ho4 cuboctahedra, faces with six equivalent HoSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ho4 cuboctahedra. All Ho–Sm bond lengths are 3.60 Å. Sm is bonded to four equivalent Ho and eight equivalent Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with twelve equivalent SmSm8Ho4 cuboctahedra, edges with eight equivalent HoSm12 cuboctahedra, edges with sixteen equivalent SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with fourteen equivalent SmSm8Ho4 cuboctahedra. All Sm–Sm bond lengths are 3.60 Å.

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Materials Data on Sm3Al by Materials Project

Sm3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Sm and four equivalent Al atoms. There are a spread of Sm–Sm bond distances ranging from 3.30–3.72 Å. There are two shorter (3.29 Å) and two longer (3.51 Å) Sm–Al bond lengths. Al is bonded to twelve equivalent Sm atoms to form a mixture of corner and face-sharing AlSm12 cuboctahedra.

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Materials Data on Sm3Er by Materials Project

ErSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Er is bonded to twelve equivalent Sm atoms to form ErSm12 cuboctahedra that share corners with six equivalent ErSm12 cuboctahedra, corners with twelve equivalent SmSm8Er4 cuboctahedra, edges with eighteen equivalent SmSm8Er4 cuboctahedra, faces with eight equivalent ErSm12 cuboctahedra, and faces with twelve equivalent SmSm8Er4 cuboctahedra. There are six shorter (3.59 Å) and six longer (3.66 Å) Er–Sm bond lengths. Sm is bonded to four equivalent Er and eight equivalent Sm atoms to form SmSm8Er4 cuboctahedra that share corners with four equivalent ErSm12 cuboctahedra, corners with fourteen equivalent SmSm8Er4 cuboctahedra, edges with six equivalent ErSm12 cuboctahedra, edges with twelve equivalent SmSm8Er4 cuboctahedra, faces with four equivalent ErSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Er4 cuboctahedra. There are four shorter (3.59 Å) and four longer (3.66 Å) Sm–Sm bond lengths.

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Materials Data on Sm3Ho by Materials Project

HoSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ho is bonded to twelve equivalent Sm atoms to form HoSm12 cuboctahedra that share corners with six equivalent HoSm12 cuboctahedra, corners with twelve equivalent SmSm8Ho4 cuboctahedra, edges with eighteen equivalent SmSm8Ho4 cuboctahedra, faces with eight equivalent HoSm12 cuboctahedra, and faces with twelve equivalent SmSm8Ho4 cuboctahedra. There are six shorter (3.58 Å) and six longer (3.65 Å) Ho–Sm bond lengths. Sm is bonded to four equivalent Ho and eight equivalent Sm atoms to form SmSm8Ho4 cuboctahedra that share corners with four equivalent HoSm12 cuboctahedra, corners with fourteen equivalent SmSm8Ho4 cuboctahedra, edges with six equivalent HoSm12 cuboctahedra, edges with twelve equivalent SmSm8Ho4 cuboctahedra, faces with four equivalent HoSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Ho4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.58–3.65 Å.

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Materials Data on SmAlCu by Materials Project

SmCuAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to five Cu and six equivalent Al atoms. There are four shorter (2.96 Å) and one longer (2.97 Å) Sm–Cu bond lengths. There are two shorter (3.23 Å) and four longer (3.29 Å) Sm–Al bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Al atoms. All Cu–Al bond lengths are 2.63 Å. In the second Cu site, Cu is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Al atoms. All Cu–Al bond lengths are 2.81 Å. Al is bonded in a 12-coordinate geometry to six equivalent Sm, four Cu, and two equivalent Al atoms. Both Al–Al bond lengths are 2.87 Å.

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Materials Data on Sm3Tm by Materials Project

TmSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Sm atoms to form TmSm12 cuboctahedra that share corners with six equivalent TmSm12 cuboctahedra, corners with twelve equivalent SmSm8Tm4 cuboctahedra, edges with eighteen equivalent SmSm8Tm4 cuboctahedra, faces with eight equivalent TmSm12 cuboctahedra, and faces with twelve equivalent SmSm8Tm4 cuboctahedra. There are six shorter (3.57 Å) and six longer (3.64 Å) Tm–Sm bond lengths. Sm is bonded to four equivalent Tm and eight equivalent Sm atoms to form SmSm8Tm4 cuboctahedra that share corners with four equivalent TmSm12 cuboctahedra, corners with fourteen equivalent SmSm8Tm4 cuboctahedra, edges with six equivalent TmSm12 cuboctahedra, edges with twelve equivalent SmSm8Tm4 cuboctahedra, faces with four equivalent TmSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Tm4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.57–3.65 Å.

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Materials Data on SmNiGe2 by Materials Project

SmNiGe2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm is bonded in a 4-coordinate geometry to four equivalent Ni and ten Ge atoms. All Sm–Ni bond lengths are 3.22 Å. There are a spread of Sm–Ge bond distances ranging from 3.16–3.26 Å. Ni is bonded in a 5-coordinate geometry to four equivalent Sm and five Ge atoms. There are one shorter (2.32 Å) and four longer (2.40 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to six equivalent Sm, one Ni, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å. In the second Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Sm and four equivalent Ni atoms.

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Materials Data on YbSm3 by Materials Project

YbSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Yb is bonded to twelve equivalent Sm atoms to form YbSm12 cuboctahedra that share corners with six equivalent YbSm12 cuboctahedra, corners with twelve equivalent SmYb4Sm8 cuboctahedra, edges with eighteen equivalent SmYb4Sm8 cuboctahedra, faces with eight equivalent YbSm12 cuboctahedra, and faces with twelve equivalent SmYb4Sm8 cuboctahedra. There are six shorter (3.65 Å) and six longer (3.68 Å) Yb–Sm bond lengths. Sm is bonded to four equivalent Yb and eight equivalent Sm atoms to form SmYb4Sm8 cuboctahedra that share corners with four equivalent YbSm12 cuboctahedra, corners with fourteen equivalent SmYb4Sm8 cuboctahedra, edges with six equivalent YbSm12 cuboctahedra, edges with twelve equivalent SmYb4Sm8 cuboctahedra, faces with four equivalent YbSm12 cuboctahedra, and faces with sixteen equivalent SmYb4Sm8 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.62–3.73 Å.

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Materials Data on SmInPd by Materials Project

SmPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.07 Å) and one longer (3.21 Å) Sm–Pd bond lengths. There are two shorter (3.26 Å) and four longer (3.41 Å) Sm–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent In atoms. All Pd–In bond lengths are 2.80 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Pd–In bond lengths are 2.96 Å. In is bonded in a 10-coordinate geometry to six equivalent Sm and four Pd atoms.

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Materials Data on Sm3Zn by Materials Project

Sm3Zn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sm is bonded in a 12-coordinate geometry to eight equivalent Sm and four equivalent Zn atoms. There are a spread of Sm–Sm bond distances ranging from 3.28–3.70 Å. There are two shorter (3.26 Å) and two longer (3.49 Å) Sm–Zn bond lengths. Zn is bonded to twelve equivalent Sm atoms to form a mixture of face and corner-sharing ZnSm12 cuboctahedra.

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Materials Data on Sm3Np by Materials Project

NpSm3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Np is bonded to twelve equivalent Sm atoms to form NpSm12 cuboctahedra that share corners with six equivalent NpSm12 cuboctahedra, corners with twelve equivalent SmSm8Np4 cuboctahedra, edges with eighteen equivalent SmSm8Np4 cuboctahedra, faces with eight equivalent NpSm12 cuboctahedra, and faces with twelve equivalent SmSm8Np4 cuboctahedra. There are six shorter (3.52 Å) and six longer (3.60 Å) Np–Sm bond lengths. Sm is bonded to four equivalent Np and eight equivalent Sm atoms to form SmSm8Np4 cuboctahedra that share corners with four equivalent NpSm12 cuboctahedra, corners with fourteen equivalent SmSm8Np4 cuboctahedra, edges with six equivalent NpSm12 cuboctahedra, edges with twelve equivalent SmSm8Np4 cuboctahedra, faces with four equivalent NpSm12 cuboctahedra, and faces with sixteen equivalent SmSm8Np4 cuboctahedra. There are a spread of Sm–Sm bond distances ranging from 3.54–3.65 Å.

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Materials Data on Sm3SbO3 by Materials Project

Sm3SbO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.27 Å. There are a spread of Sm–O bond distances ranging from 2.28–2.51 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted see-saw-like geometry to two equivalent Sb3- and four O2- atoms. Both Sm–Sb bond lengths are 3.32 Å. There are a spread of Sm–O bond distances ranging from 2.27–2.39 Å. In the third Sm3+ site, Sm3+ is bonded in a 4-coordinate geometry to four equivalent Sb3- and four O2- atoms. There are two shorter (3.46 Å) and two longer (3.49 Å) Sm–Sb bond lengths. There are a spread of Sm–O bond distances ranging from 2.31–2.68 Å. Sb3- is bonded in a body-centered cubic geometry to eight Sm3+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 trigonal pyramids. In the second O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of distorted corner and edge-sharing OSm4 trigonal pyramids. In the third O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.

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