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At least 1,171 records · Page 65
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DOE OSTI2020

Materials Data on Sc(FeSn)6 by Materials Project

Sc(FeSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Fe and eight Sn atoms to form distorted face-sharing ScFe12Sn8 hexagonal bipyramids. All Sc–Fe bond lengths are 3.47 Å. There are two shorter (2.97 Å) and six longer (3.11 Å) Sc–Sn bond lengths. Fe is bonded in a 12-coordinate geometry to two equivalent Sc, four equivalent Fe, and six Sn atoms. All Fe–Fe bond lengths are 2.69 Å. There are a spread of Fe–Sn bond distances ranging from 2.68–2.80 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sc and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Sc, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.97 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(MnSn)6 by Materials Project

SmMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sm is bonded to eight Sn atoms to form distorted edge-sharing SmSn8 hexagonal bipyramids. There are two shorter (3.03 Å) and six longer (3.16 Å) Sm–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.75–2.84 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Sm, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.99 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La3(AgSn)4 by Materials Project

La3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.38 Å) and two longer (3.48 Å) La–Ag bond lengths. There are two shorter (3.40 Å) and four longer (3.47 Å) La–Sn bond lengths. In the second La site, La is bonded to eight equivalent Ag and six Sn atoms to form distorted face-sharing LaAg8Sn6 octahedra. All La–Ag bond lengths are 3.86 Å. There are four shorter (3.32 Å) and two longer (3.42 Å) La–Sn bond lengths. Ag is bonded in a 10-coordinate geometry to five La, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.88 Å. There are a spread of Ag–Sn bond distances ranging from 2.81–2.94 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three La and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six La, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuSn3Sb4 by Materials Project

EuSn3Sb4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight Sb3- atoms. There are a spread of Eu–Sb bond distances ranging from 3.32–3.65 Å. There are three inequivalent Sn+3.33+ sites. In the first Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (2.99 Å) Sn–Sb bond lengths. In the second Sn+3.33+ site, Sn+3.33+ is bonded in a distorted T-shaped geometry to three Sb3- atoms. There are two shorter (2.98 Å) and one longer (2.99 Å) Sn–Sb bond lengths. In the third Sn+3.33+ site, Sn+3.33+ is bonded to four Sb3- atoms to form corner-sharing SnSb4 tetrahedra. There are a spread of Sn–Sb bond distances ranging from 2.85–2.88 Å. There are four inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded to two equivalent Eu2+ and three Sn+3.33+ atoms to form distorted SbEu2Sn3 trigonal bipyramids that share corners with three equivalent SbEu2Sn3 trigonal bipyramids, corners with two equivalent SbEuSn3 trigonal pyramids, edges with three SbEu2Sn3 trigonal bipyramids, and edges with two equivalent SbEuSn3 trigonal pyramids. In the second Sb3- site, Sb3- is bonded to two equivalent Eu2+ and three Sn+3.33+ atoms to form distorted SbEu2Sn3 trigonal bipyramids that share corners with three equivalent SbEu2Sn3 trigonal bipyramids, corners with four equivalent SbEuSn3 trigonal pyramids, and edges with three SbEu2Sn3 trigonal bipyramids. In the third Sb3- site, Sb3- is bonded to one Eu2+ and three Sn+3.33+ atoms to form SbEuSn3 trigonal pyramids that share corners with six SbEu2Sn3 trigonal bipyramids, corners with two equivalent SbEuSn3 trigonal pyramids, and edges with two equivalent SbEu2Sn3 trigonal bipyramids. In the fourth Sb3- site, Sb3- is bonded in a 6-coordinate geometry to three equivalent Eu2+, one Sn+3.33+, and two equivalent Sb3- atoms. Both Sb–Sb bond lengths are 2.97 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er(MnSn)6 by Materials Project

ErMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded to eight Sn atoms to form distorted edge-sharing ErSn8 hexagonal bipyramids. There are two shorter (3.00 Å) and six longer (3.15 Å) Er–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.74–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Er and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Er, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.00 Å.

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DOE OSTI2020

Materials Data on Tb(NbSn)6 by Materials Project

Tb(NbSn)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tb is bonded to eight Sn atoms to form distorted edge-sharing TbSn8 hexagonal bipyramids. There are two shorter (3.18 Å) and six longer (3.36 Å) Tb–Sn bond lengths. Nb is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Nb–Sn bond distances ranging from 2.92–3.01 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Nb atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Nb atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Tb, six equivalent Nb, and one Sn atom. The Sn–Sn bond length is 3.25 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu(FeSn)6 by Materials Project

LuFe6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to twelve equivalent Fe and eight Sn atoms to form distorted LuFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent FeLu2Fe4Sn6 cuboctahedra and faces with six equivalent LuFe12Sn8 hexagonal bipyramids. All Lu–Fe bond lengths are 3.48 Å. There are two shorter (3.01 Å) and six longer (3.12 Å) Lu–Sn bond lengths. Fe is bonded to two equivalent Lu, four equivalent Fe, and six Sn atoms to form distorted FeLu2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent FeLu2Fe4Sn6 cuboctahedra, edges with seven equivalent FeLu2Fe4Sn6 cuboctahedra, faces with nine equivalent FeLu2Fe4Sn6 cuboctahedra, and faces with four equivalent LuFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.69–2.83 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Lu, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.92 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3(MnSn)4 by Materials Project

Pr3(MnSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to six Sn atoms to form edge-sharing PrSn6 octahedra. There are four shorter (3.23 Å) and two longer (3.29 Å) Pr–Sn bond lengths. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six equivalent Mn and six Sn atoms. There are two shorter (3.35 Å) and four longer (3.36 Å) Pr–Mn bond lengths. There are two shorter (3.33 Å) and four longer (3.37 Å) Pr–Sn bond lengths. Mn is bonded in a 4-coordinate geometry to three equivalent Pr and four Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.76–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Pr and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Pr, two equivalent Mn, and one Sn atom. The Sn–Sn bond length is 2.96 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3(AgSn)4 by Materials Project

Nd3(AgSn)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six Sn atoms to form distorted edge-sharing NdSn6 octahedra. There are four shorter (3.27 Å) and two longer (3.36 Å) Nd–Sn bond lengths. In the second Nd site, Nd is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.32 Å) and two longer (3.45 Å) Nd–Ag bond lengths. There are two shorter (3.38 Å) and four longer (3.42 Å) Nd–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Nd, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.90 Å. There are a spread of Ag–Sn bond distances ranging from 2.78–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Nd and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Nd, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er2NiSn6 by Materials Project

Er2NiSn6 crystallizes in the orthorhombic Cmmm 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 3.16–3.44 Å. Ni is bonded in a body-centered cubic geometry to eight Sn atoms. All Ni–Sn bond lengths are 2.71 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er and two equivalent Ni atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to two equivalent Er and two equivalent Ni atoms. In the third 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 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(VSn)6 by Materials Project

YV6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Y is bonded to eight Sn atoms to form edge-sharing YSn8 hexagonal bipyramids. There are two shorter (3.06 Å) and six longer (3.19 Å) Y–Sn bond lengths. V is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of V–Sn bond distances ranging from 2.80–2.86 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to one Y, six equivalent V, and one Sn atom. The Sn–Sn bond length is 3.11 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent V atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent V atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Lu(MnSn)6 by Materials Project

LuMn6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Lu is bonded to eight Sn atoms to form distorted edge-sharing LuSn8 hexagonal bipyramids. There are two shorter (2.98 Å) and six longer (3.14 Å) Lu–Sn bond lengths. Mn is bonded in a 12-coordinate geometry to six Sn atoms. There are a spread of Mn–Sn bond distances ranging from 2.73–2.82 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Lu and six equivalent Mn atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Lu, six equivalent Mn, and one Sn atom. The Sn–Sn bond length is 3.03 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3(CuSn)4 by Materials Project

Er3Cu4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six Sn atoms to form distorted edge-sharing ErSn6 octahedra. There are four shorter (3.03 Å) and two longer (3.17 Å) Er–Sn bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are four shorter (3.15 Å) and two longer (3.20 Å) Er–Cu bond lengths. There are two shorter (3.16 Å) and four longer (3.26 Å) Er–Sn bond lengths. Cu is bonded in a 8-coordinate geometry to three equivalent Er, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.60–2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Er and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Er, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce12Sn5Ge3 by Materials Project

Ce12Sn5Ge3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded to two equivalent Sn and three equivalent Ge atoms to form a mixture of distorted corner and edge-sharing CeSn2Ge3 trigonal bipyramids. Both Ce–Sn bond lengths are 3.24 Å. There are two shorter (3.44 Å) and one longer (3.59 Å) Ce–Ge bond lengths. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four equivalent Sn and two equivalent Ge atoms. There are two shorter (3.08 Å) and two longer (3.85 Å) Ce–Sn bond lengths. Both Ce–Ge bond lengths are 3.06 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to four Sn and two Ge atoms. There are three shorter (3.30 Å) and one longer (3.37 Å) Ce–Sn bond lengths. There are one shorter (3.09 Å) and one longer (3.12 Å) Ce–Ge bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a body-centered cubic geometry to eight equivalent Ce atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to nine Ce and one Sn atom. The Sn–Sn bond length is 2.98 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight equivalent Ce atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm(FeSn)6 by Materials Project

TmFe6Sn6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Tm is bonded to twelve equivalent Fe and eight Sn atoms to form distorted TmFe12Sn8 hexagonal bipyramids that share faces with twenty-four equivalent FeTm2Fe4Sn6 cuboctahedra and faces with six equivalent TmFe12Sn8 hexagonal bipyramids. All Tm–Fe bond lengths are 3.48 Å. There are two shorter (3.00 Å) and six longer (3.12 Å) Tm–Sn bond lengths. Fe is bonded to two equivalent Tm, four equivalent Fe, and six Sn atoms to form distorted FeTm2Fe4Sn6 cuboctahedra that share corners with fourteen equivalent FeTm2Fe4Sn6 cuboctahedra, edges with seven equivalent FeTm2Fe4Sn6 cuboctahedra, faces with nine equivalent FeTm2Fe4Sn6 cuboctahedra, and faces with four equivalent TmFe12Sn8 hexagonal bipyramids. All Fe–Fe bond lengths are 2.71 Å. There are a spread of Fe–Sn bond distances ranging from 2.69–2.82 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three equivalent Tm and six equivalent Fe atoms. In the second Sn site, Sn is bonded in a 6-coordinate geometry to six equivalent Fe atoms. In the third Sn site, Sn is bonded in a 8-coordinate geometry to one Tm, six equivalent Fe, and one Sn atom. The Sn–Sn bond length is 2.91 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3(CuSn)4 by Materials Project

Tm3Cu4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded to six Sn atoms to form distorted edge-sharing TmSn6 octahedra. There are four shorter (3.02 Å) and two longer (3.14 Å) Tm–Sn bond lengths. In the second Tm site, Tm is bonded in a 12-coordinate geometry to six equivalent Cu and six Sn atoms. There are two shorter (3.14 Å) and four longer (3.17 Å) Tm–Cu bond lengths. There are two shorter (3.15 Å) and four longer (3.24 Å) Tm–Sn bond lengths. Cu is bonded in a 12-coordinate geometry to three equivalent Tm, one Cu, and four Sn atoms. The Cu–Cu bond length is 2.60 Å. There are a spread of Cu–Sn bond distances ranging from 2.62–2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Tm and six equivalent Cu atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Tm, two equivalent Cu, and one Sn atom. The Sn–Sn bond length is 2.84 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3(AgSn)4 by Materials Project

Sm3Ag4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Ag and six Sn atoms. There are four shorter (3.31 Å) and two longer (3.44 Å) Sm–Ag bond lengths. There are two shorter (3.35 Å) and four longer (3.39 Å) Sm–Sn bond lengths. In the second Sm site, Sm is bonded to six Sn atoms to form distorted edge-sharing SmSn6 octahedra. There are four shorter (3.25 Å) and two longer (3.35 Å) Sm–Sn bond lengths. Ag is bonded in a 12-coordinate geometry to three equivalent Sm, one Ag, and four Sn atoms. The Ag–Ag bond length is 2.88 Å. There are a spread of Ag–Sn bond distances ranging from 2.76–2.88 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three Sm and six equivalent Ag atoms. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Sm, two equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Sb by Materials Project

Sn3Sb is beta Sn-derived structured and crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent Sn sites. In the first Sn site, Sn is bonded to six Sn atoms to form distorted corner-sharing SnSn6 pentagonal pyramids. There are four shorter (3.10 Å) and two longer (3.19 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 6-coordinate geometry to four Sn and two equivalent Sb atoms. Both Sn–Sn bond lengths are 3.19 Å. Both Sn–Sb bond lengths are 3.12 Å. Sb is bonded in a 6-coordinate geometry to four equivalent Sn and two equivalent Sb atoms. Both Sb–Sb bond lengths are 3.19 Å.

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