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At least 1,585 records · Page 88
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DOE OSTI2020

Materials Data on U3Sn13Rh4 by Materials Project

U3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All U–Rh bond lengths are 3.44 Å. There are eight shorter (3.39 Å) and four longer (3.44 Å) U–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Sn–Sn bond lengths are 3.37 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent U, two equivalent Rh, and one Sn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YSn2 by Materials Project

YSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.17–3.47 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Y and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Y and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiTmSn by Materials Project

LiTmSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six Tm and four Sn atoms. There are a spread of Li–Tm bond distances ranging from 3.09–3.40 Å. There are a spread of Li–Sn bond distances ranging from 2.70–3.18 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Tm and four Sn atoms. There are three shorter (3.17 Å) and three longer (3.38 Å) Li–Tm bond lengths. There are three shorter (2.71 Å) and one longer (3.01 Å) Li–Sn bond lengths. There are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.16 Å) and three longer (3.31 Å) Tm–Sn bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Tm–Sn bond distances ranging from 3.15–3.33 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Tm atoms. In the second Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six equivalent Tm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DySn2 by Materials Project

DySn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Dy–Sn bond distances ranging from 3.16–3.46 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Dy and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.06 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Dy and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Co4Sn13 by Materials Project

Ce3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Ce–Co bond lengths are 3.40 Å. There are four shorter (3.34 Å) and eight longer (3.41 Å) Ce–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Co–Sn bond lengths are 2.61 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ce, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.27 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaSn3Pt by Materials Project

BaPtSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to five equivalent Pt and twelve Sn atoms. There are four shorter (3.91 Å) and one longer (3.93 Å) Ba–Pt bond lengths. There are a spread of Ba–Sn bond distances ranging from 3.64–3.78 Å. Pt is bonded in a 5-coordinate geometry to five equivalent Ba and five Sn atoms. There are one shorter (2.67 Å) and four longer (2.73 Å) Pt–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Ba, two equivalent Pt, and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a distorted single-bond geometry to four equivalent Ba, one Pt, and four equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Yb3Sn13Rh4 by Materials Project

Yb3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Yb–Rh bond lengths are 3.46 Å. All Yb–Sn bond lengths are 3.44 Å. Rh is bonded in a 6-coordinate geometry to three equivalent Yb and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Yb, two equivalent Rh, 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3Sn13Rh4 by Materials Project

SnLa3Rh4Sn12 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All La–Rh bond lengths are 3.49 Å. There are four shorter (3.47 Å) and eight longer (3.48 Å) La–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms. All Sn–Sn bond lengths are 3.38 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, two equivalent Rh, and one Sn atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th3Sn13Rh4 by Materials Project

Th3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Th is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Th–Rh bond lengths are 3.47 Å. There are eight shorter (3.43 Å) and four longer (3.46 Å) Th–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Th and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.70 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Th, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.37 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3Sn13Rh4 by Materials Project

Sr3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Sr–Rh bond lengths are 3.52 Å. There are four shorter (3.49 Å) and eight longer (3.53 Å) Sr–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Sr and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Sr, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.34 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu10Sn3 by Materials Project

Cu10Sn3 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are six inequivalent Cu sites. In the first Cu site, Cu is bonded to six Cu and six equivalent Sn atoms to form CuCu6Sn6 cuboctahedra that share corners with twelve CuCu8Sn4 cuboctahedra, edges with six CuCu8Sn4 cuboctahedra, and faces with fourteen CuCu6Sn6 cuboctahedra. There are three shorter (2.61 Å) and three longer (2.62 Å) Cu–Cu bond lengths. There are three shorter (2.96 Å) and three longer (2.99 Å) Cu–Sn bond lengths. In the second Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three equivalent Sn atoms. There are a spread of Cu–Cu bond distances ranging from 2.57–2.72 Å. All Cu–Sn bond lengths are 2.79 Å. In the third Cu site, Cu is bonded in a distorted q6 geometry to eight Cu and three equivalent Sn atoms. There are three shorter (2.57 Å) and four longer (2.58 Å) Cu–Cu bond lengths. All Cu–Sn bond lengths are 2.80 Å. In the fourth Cu site, Cu is bonded in a 11-coordinate geometry to eight Cu and three equivalent Sn atoms. All Cu–Cu bond lengths are 2.60 Å. All Cu–Sn bond lengths are 2.69 Å. In the fifth Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing CuCu8Sn4 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.62–2.86 Å. There are a spread of Cu–Sn bond distances ranging from 2.64–2.92 Å. In the sixth Cu site, Cu is bonded to eight Cu and four equivalent Sn atoms to form a mixture of distorted edge, corner, and face-sharing CuCu8Sn4 cuboctahedra. There are a spread of Cu–Sn bond distances ranging from 2.64–2.92 Å. Sn is bonded in a 9-coordinate geometry to thirteen Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErSn2 by Materials Project

ErSn2 is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Er is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Er–Sn bond distances ranging from 3.15–3.44 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Er and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.10 Å. In the second Sn site, Sn is bonded in a 4-coordinate geometry to six equivalent Er and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.02 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrNiSn3 by Materials Project

SrNiSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to five equivalent Ni and twelve Sn atoms. There are one shorter (3.75 Å) and four longer (3.81 Å) Sr–Ni bond lengths. There are a spread of Sr–Sn bond distances ranging from 3.47–3.65 Å. Ni is bonded in a 5-coordinate geometry to five equivalent Sr and five Sn atoms. There are one shorter (2.51 Å) and four longer (2.59 Å) Ni–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four equivalent Sr, one Ni, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.11 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Sr, two equivalent Ni, and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSn3Pd by Materials Project

SrPdSn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr is bonded in a 12-coordinate geometry to four equivalent Pd and twelve Sn atoms. All Sr–Pd bond lengths are 3.82 Å. There are a spread of Sr–Sn bond distances ranging from 3.60–3.76 Å. Pd is bonded in a 5-coordinate geometry to four equivalent Sr and five Sn atoms. There are one shorter (2.64 Å) and four longer (2.72 Å) Pd–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to four equivalent Sr, one Pd, and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.07 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to four equivalent Sr, two equivalent Pd, and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Sn13Rh4 by Materials Project

Ca3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Ca–Rh bond lengths are 3.48 Å. There are four shorter (3.45 Å) and eight longer (3.47 Å) Ca–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Rh–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 Ca, two equivalent Rh, 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiYSn by Materials Project

LiYSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to six Y and four Sn atoms. There are a spread of Li–Y bond distances ranging from 3.09–3.49 Å. There are a spread of Li–Sn bond distances ranging from 2.71–3.16 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Y and four Sn atoms. There are three shorter (3.20 Å) and three longer (3.45 Å) Li–Y bond lengths. There are three shorter (2.74 Å) and one longer (2.99 Å) Li–Sn bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Y–Sn bond distances ranging from 3.18–3.39 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.18 Å) and three longer (3.36 Å) Y–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to four Li and six Y atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Y atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Te3Ir2 by Materials Project

Ir2Sn3Te3 is Hausmannite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded to three Sn and three Te atoms to form IrSn3Te3 octahedra that share corners with six IrSn3Te3 octahedra and corners with six TeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–58°. There are two shorter (2.62 Å) and one longer (2.64 Å) Ir–Sn bond lengths. There are one shorter (2.68 Å) and two longer (2.70 Å) Ir–Te bond lengths. In the second Ir site, Ir is bonded to three equivalent Sn and three equivalent Te atoms to form IrSn3Te3 octahedra that share corners with six equivalent IrSn3Te3 octahedra and corners with six equivalent TeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 50–58°. All Ir–Sn bond lengths are 2.64 Å. All Ir–Te bond lengths are 2.68 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Ir and two equivalent Te atoms. There are one shorter (2.95 Å) and one longer (3.12 Å) Sn–Te bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two Ir and two equivalent Te atoms. There are one shorter (2.95 Å) and one longer (3.12 Å) Sn–Te bond lengths. There are two inequivalent Te sites. In the first Te site, Te is bonded to two equivalent Ir and two equivalent Sn atoms to form distorted TeSn2Ir2 tetrahedra that share corners with four IrSn3Te3 octahedra, corners with four TeSn2Ir2 tetrahedra, and an edgeedge with one TeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 70–74°. In the second Te site, Te is bonded to two Ir and two equivalent Sn atoms to form distorted TeSn2Ir2 tetrahedra that share corners with four equivalent IrSn3Te3 octahedra, corners with four TeSn2Ir2 tetrahedra, and an edgeedge with one TeSn2Ir2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–74°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co2(SnSe)3 by Materials Project

Co2(SnSe)3 is Hausmannite-derived structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded to three Sn and three Se atoms to form CoSn3Se3 octahedra that share corners with six CoSn3Se3 octahedra, corners with four equivalent SnCo2Se2 tetrahedra, and corners with four equivalent SeCo2Sn2 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of Co–Sn bond distances ranging from 2.51–2.54 Å. There are one shorter (2.39 Å) and two longer (2.42 Å) Co–Se bond lengths. In the second Co site, Co is bonded to three equivalent Sn and three equivalent Se atoms to form corner-sharing CoSn3Se3 octahedra. The corner-sharing octahedra tilt angles range from 51–56°. All Co–Sn bond lengths are 2.52 Å. All Co–Se bond lengths are 2.40 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to two Co and two equivalent Se atoms to form distorted SnCo2Se2 tetrahedra that share corners with four equivalent CoSn3Se3 octahedra, corners with two equivalent SnCo2Se2 tetrahedra, corners with four equivalent SeCo2Sn2 tetrahedra, and an edgeedge with one SnCo2Se2 tetrahedra. The corner-sharing octahedra tilt angles range from 69–74°. There are one shorter (2.75 Å) and one longer (2.94 Å) Sn–Se bond lengths. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Se atoms. There are one shorter (2.76 Å) and one longer (2.93 Å) Sn–Se bond lengths. There are two inequivalent Se sites. In the first Se site, Se is bonded in a 4-coordinate geometry to two equivalent Co and two equivalent Sn atoms. In the second Se site, Se is bonded to two Co and two equivalent Sn atoms to form distorted SeCo2Sn2 tetrahedra that share corners with four equivalent CoSn3Se3 octahedra, corners with two equivalent SeCo2Sn2 tetrahedra, corners with four equivalent SnCo2Se2 tetrahedra, and an edgeedge with one SeCo2Sn2 tetrahedra. The corner-sharing octahedra tilt angles range from 68–75°.

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