Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sn”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg2Sn by Materials Project

Mg2Sn crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded to three Sn atoms to form distorted MgSn3 cuboctahedra that share corners with seventeen MgSn3 cuboctahedra and edges with two MgSn5 cuboctahedra. There are one shorter (3.18 Å) and two longer (3.20 Å) Mg–Sn bond lengths. In the second Mg site, Mg is bonded to five Sn atoms to form distorted MgSn5 cuboctahedra that share corners with eighteen MgSn3 cuboctahedra, edges with seven MgSn3 cuboctahedra, and a faceface with one MgSn4 cuboctahedra. There are three shorter (3.21 Å) and two longer (3.23 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded to four Sn atoms to form distorted MgSn4 cuboctahedra that share corners with nineteen MgSn3 cuboctahedra, edges with three MgSn5 cuboctahedra, and a faceface with one MgSn5 cuboctahedra. There are a spread of Mg–Sn bond distances ranging from 3.17–3.23 Å. In the fourth Mg site, Mg is bonded to four Sn atoms to form a mixture of distorted edge and corner-sharing MgSn4 cuboctahedra. There are two shorter (3.20 Å) and two longer (3.22 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to eight Mg atoms to form a mixture of distorted edge, corner, and face-sharing SnMg8 cuboctahedra. In the second Sn site, Sn is bonded to eight Mg atoms to form a mixture of distorted edge, corner, and face-sharing SnMg8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr3Co4Sn13 by Materials Project

Pr3Co4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to four equivalent Co and twelve equivalent Sn atoms. All Pr–Co bond lengths are 3.42 Å. There are four shorter (3.35 Å) and eight longer (3.44 Å) Pr–Sn bond lengths. Co is bonded in a 6-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Co–Sn bond lengths are 2.63 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to three equivalent Pr, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.04–3.29 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 MgSn5 by Materials Project

MgSn5 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to twelve Sn atoms to form MgSn12 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg3Sn9 cuboctahedra, edges with six equivalent MgSn12 cuboctahedra, and faces with eight equivalent SnMg3Sn9 cuboctahedra. There are six shorter (3.29 Å) and six longer (3.43 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted bent 150 degrees geometry to two equivalent Mg and four equivalent Sn atoms. There are two shorter (3.29 Å) and two longer (3.31 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to three equivalent Mg and nine Sn atoms to form distorted SnMg3Sn9 cuboctahedra that share corners with six equivalent MgSn12 cuboctahedra, corners with twelve equivalent SnMg3Sn9 cuboctahedra, edges with six equivalent SnMg3Sn9 cuboctahedra, faces with four equivalent MgSn12 cuboctahedra, and faces with four equivalent SnMg3Sn9 cuboctahedra. All Sn–Sn bond lengths are 3.43 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn5 by Materials Project

MgSn5 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Mg is bonded to twelve Sn atoms to form MgSn12 cuboctahedra that share corners with eighteen equivalent SnMg3Sn9 cuboctahedra, edges with six equivalent MgSn12 cuboctahedra, faces with two equivalent MgSn12 cuboctahedra, and faces with six equivalent SnMg3Sn9 cuboctahedra. There are six shorter (3.31 Å) and six longer (3.39 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Mg and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.35 Å. In the second Sn site, Sn is bonded to three equivalent Mg and nine Sn atoms to form distorted SnMg3Sn9 cuboctahedra that share corners with nine equivalent MgSn12 cuboctahedra, corners with nine equivalent SnMg3Sn9 cuboctahedra, edges with six equivalent SnMg3Sn9 cuboctahedra, faces with three equivalent MgSn12 cuboctahedra, and faces with five equivalent SnMg3Sn9 cuboctahedra. All Sn–Sn bond lengths are 3.39 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiSmSn by Materials Project

LiSmSn 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 distorted trigonal planar geometry to six Sm and four Sn atoms. There are a spread of Li–Sm bond distances ranging from 3.17–3.47 Å. There are a spread of Li–Sn bond distances ranging from 2.75–3.33 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to six equivalent Sm and four Sn atoms. There are three shorter (3.20 Å) and three longer (3.58 Å) Li–Sm bond lengths. There are three shorter (2.78 Å) and one longer (2.96 Å) Li–Sn bond lengths. There are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Li and six Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.26–3.42 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six equivalent Li and six equivalent Sn atoms. There are three shorter (3.23 Å) and three longer (3.43 Å) Sm–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 Sm atoms. In the second Sn site, Sn is bonded in a 4-coordinate geometry to four Li and six equivalent Sm atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La2(SnPb)3 by Materials Project

La2(PbSn)3 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. La is bonded to six Pb and six Sn atoms to form LaSn6Pb6 cuboctahedra that share corners with twelve equivalent LaSn6Pb6 cuboctahedra, edges with four equivalent SnLa4Pb8 cuboctahedra, edges with twelve PbLa4Sn6Pb2 cuboctahedra, faces with two equivalent SnLa4Pb8 cuboctahedra, faces with six equivalent LaSn6Pb6 cuboctahedra, and faces with six PbLa4Sn6Pb2 cuboctahedra. There are four shorter (3.49 Å) and two longer (3.50 Å) La–Pb bond lengths. There are a spread of La–Sn bond distances ranging from 3.42–3.48 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded to four equivalent La, two equivalent Pb, and six Sn atoms to form distorted PbLa4Sn6Pb2 cuboctahedra that share corners with twelve equivalent PbLa4Sn6Pb2 cuboctahedra, edges with four equivalent PbLa4Sn4Pb4 cuboctahedra, edges with four equivalent SnLa4Pb8 cuboctahedra, edges with eight equivalent LaSn6Pb6 cuboctahedra, faces with two equivalent SnLa4Pb8 cuboctahedra, faces with four equivalent LaSn6Pb6 cuboctahedra, and faces with eight PbLa4Sn6Pb2 cuboctahedra. Both Pb–Pb bond lengths are 3.46 Å. There are a spread of Pb–Sn bond distances ranging from 3.43–3.48 Å. In the second Pb site, Pb is bonded to four equivalent La, four equivalent Pb, and four equivalent Sn atoms to form distorted PbLa4Sn4Pb4 cuboctahedra that share corners with four equivalent PbLa4Sn4Pb4 cuboctahedra, edges with eight equivalent LaSn6Pb6 cuboctahedra, edges with eight equivalent PbLa4Sn6Pb2 cuboctahedra, faces with four equivalent LaSn6Pb6 cuboctahedra, faces with four equivalent SnLa4Pb8 cuboctahedra, and faces with eight PbLa4Sn6Pb2 cuboctahedra. All Pb–Sn bond lengths are 3.49 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Pb atoms. In the second Sn site, Sn is bonded to four equivalent La and eight Pb atoms to form SnLa4Pb8 cuboctahedra that share corners with four equivalent SnLa4Pb8 cuboctahedra, edges with eight equivalent LaSn6Pb6 cuboctahedra, edges with eight equivalent PbLa4Sn6Pb2 cuboctahedra, faces with four equivalent LaSn6Pb6 cuboctahedra, faces with four equivalent SnLa4Pb8 cuboctahedra, and faces with eight PbLa4Sn6Pb2 cuboctahedra. In the third Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Pb atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Sn13Ir4 by Materials Project

Eu3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Eu–Ir bond lengths are 3.50 Å. All Eu–Sn bond lengths are 3.49 Å. Ir is bonded in a 6-coordinate geometry to three equivalent Eu and six equivalent Sn atoms. All Ir–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 Eu, 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn by Materials Project

MgSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.07–3.11 Å. In the second Mg site, Mg is bonded in a 10-coordinate geometry to two equivalent Mg and eight Sn atoms. Both Mg–Mg bond lengths are 3.24 Å. There are four shorter (3.15 Å) and four longer (3.35 Å) Mg–Sn bond lengths. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Mg and four Sn atoms. There are two shorter (3.09 Å) and two longer (3.10 Å) Mg–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to four Mg atoms to form distorted corner-sharing SnMg4 tetrahedra. In the second Sn site, Sn is bonded in a 10-coordinate geometry to eight Mg atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to six Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Sn13Pt4 by Materials Project

Ca3Pt4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Pt and twelve equivalent Sn atoms. All Ca–Pt bond lengths are 3.51 Å. There are eight shorter (3.48 Å) and four longer (3.52 Å) Ca–Sn bond lengths. Pt is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.73 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 Pt, and one Sn atom. The Sn–Sn bond length is 3.40 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 Ca3Sn13Ir4 by Materials Project

Ca3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Ca–Ir bond lengths are 3.48 Å. There are four shorter (3.47 Å) and eight longer (3.48 Å) Ca–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Ir–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 Ca, two equivalent Ir, 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 TbSn2 by Materials Project

Sn2Tb is Zirconium Disilicide structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Tb–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 Tb and two equivalent Sn atoms. Both Sn–Sn bond lengths are 3.01 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Tb and four equivalent Sn atoms. All Sn–Sn bond lengths are 3.12 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnV(Ni2Sn)2 by Materials Project

VMn(Ni2Sn)2 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. V is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. There are two shorter (2.62 Å) and six longer (2.63 Å) V–Ni bond lengths. All V–Sn bond lengths are 3.03 Å. Mn is bonded in a distorted body-centered cubic geometry to eight Ni and six equivalent Sn atoms. All Mn–Ni bond lengths are 2.63 Å. All Mn–Sn bond lengths are 3.04 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted body-centered cubic geometry to one V, three equivalent Mn, and four equivalent Sn atoms. All Ni–Sn bond lengths are 2.63 Å. In the second Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Sn atoms. There are one shorter (2.62 Å) and three longer (2.63 Å) Ni–Sn bond lengths. In the third Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Sn atoms. All Ni–V bond lengths are 2.63 Å. The Ni–Mn bond length is 2.63 Å. There are one shorter (2.62 Å) and three longer (2.63 Å) Ni–Sn bond lengths. In the fourth Ni site, Ni is bonded in a distorted body-centered cubic geometry to three equivalent V, one Mn, and four equivalent Sn atoms. All Ni–V bond lengths are 2.63 Å. There are one shorter (2.62 Å) and three longer (2.63 Å) Ni–Sn bond lengths. Sn is bonded in a 8-coordinate geometry to three equivalent V, three equivalent Mn, and eight Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbCo2Sn by Materials Project

Co2NbSn crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded to eight Co and four Sn atoms to form distorted NbCo8Sn4 cuboctahedra that share corners with two equivalent NbCo8Sn4 cuboctahedra, corners with eight equivalent SnNb4Co8 cuboctahedra, edges with two equivalent NbCo8Sn4 cuboctahedra, faces with two equivalent NbCo8Sn4 cuboctahedra, and faces with six SnNb4Co8 cuboctahedra. There are four shorter (2.67 Å) and four longer (2.69 Å) Nb–Co bond lengths. There are two shorter (2.96 Å) and two longer (2.99 Å) Nb–Sn bond lengths. In the second Nb site, Nb is bonded in a 8-coordinate geometry to eight Co and four Sn atoms. There are a spread of Nb–Co bond distances ranging from 2.58–2.81 Å. There are two shorter (2.96 Å) and two longer (3.03 Å) Nb–Sn bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted body-centered cubic geometry to four Nb and four Sn atoms. There are two shorter (2.67 Å) and two longer (2.68 Å) Co–Sn bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to four Nb and four Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.62–2.74 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to four Nb and eight Co atoms to form distorted SnNb4Co8 cuboctahedra that share corners with four equivalent SnNb4Co8 cuboctahedra, edges with eight SnNb4Co8 cuboctahedra, faces with four equivalent NbCo8Sn4 cuboctahedra, and faces with four equivalent SnNb4Co8 cuboctahedra. In the second Sn site, Sn is bonded to four Nb and eight Co atoms to form distorted SnNb4Co8 cuboctahedra that share corners with two equivalent SnNb4Co8 cuboctahedra, corners with eight equivalent NbCo8Sn4 cuboctahedra, edges with six SnNb4Co8 cuboctahedra, faces with two equivalent NbCo8Sn4 cuboctahedra, and faces with six SnNb4Co8 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaInSn2 by Materials Project

NaInSn2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Na is bonded in a 12-coordinate geometry to three equivalent In and seven Sn atoms. There are a spread of Na–In bond distances ranging from 3.50–3.72 Å. There are a spread of Na–Sn bond distances ranging from 3.32–3.68 Å. In is bonded in a 7-coordinate geometry to three equivalent Na and four Sn atoms. There are a spread of In–Sn bond distances ranging from 2.91–2.93 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three equivalent Na, two equivalent In, and two equivalent Sn atoms. There are one shorter (2.92 Å) and one longer (2.94 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four equivalent Na, two equivalent In, and two equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni6SnSb by Materials Project

Ni6SnSb is beta Cu3Ti-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are six inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni, two equivalent Sn, and two equivalent Sb atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent SbNi12 cuboctahedra, corners with fourteen NiNi8Sn2Sb2 cuboctahedra, edges with two equivalent SbNi12 cuboctahedra, edges with four equivalent SnNi12 cuboctahedra, edges with twelve NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SnNi12 cuboctahedra, faces with two equivalent SbNi12 cuboctahedra, and faces with sixteen NiNi8Sn2Sb2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.56–2.73 Å. Both Ni–Sn bond lengths are 2.62 Å. There are one shorter (2.61 Å) and one longer (2.63 Å) Ni–Sb bond lengths. In the second Ni site, Ni is bonded to eight Ni, two equivalent Sn, and two equivalent Sb atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent SbNi12 cuboctahedra, corners with fourteen NiNi8Sn2Sb2 cuboctahedra, edges with two equivalent SbNi12 cuboctahedra, edges with four equivalent SnNi12 cuboctahedra, edges with twelve NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SnNi12 cuboctahedra, faces with two equivalent SbNi12 cuboctahedra, and faces with sixteen NiNi8Sn2Sb2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.56–2.73 Å. Both Ni–Sn bond lengths are 2.62 Å. There are one shorter (2.61 Å) and one longer (2.63 Å) Ni–Sb bond lengths. In the third Ni site, Ni is bonded to eight Ni, two equivalent Sn, and two equivalent Sb atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent SnNi12 cuboctahedra, corners with fourteen NiNi8Sn2Sb2 cuboctahedra, edges with two equivalent SnNi12 cuboctahedra, edges with four equivalent SbNi12 cuboctahedra, edges with twelve NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SnNi12 cuboctahedra, faces with two equivalent SbNi12 cuboctahedra, and faces with sixteen NiNi8Sn2Sb2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.56–2.70 Å. There are one shorter (2.62 Å) and one longer (2.65 Å) Ni–Sn bond lengths. Both Ni–Sb bond lengths are 2.61 Å. In the fourth Ni site, Ni is bonded to eight Ni, two equivalent Sn, and two equivalent Sb atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with four equivalent SnNi12 cuboctahedra, corners with fourteen NiNi8Sn2Sb2 cuboctahedra, edges with two equivalent SnNi12 cuboctahedra, edges with four equivalent SbNi12 cuboctahedra, edges with twelve NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SnNi12 cuboctahedra, faces with two equivalent SbNi12 cuboctahedra, and faces with sixteen NiNi8Sn2Sb2 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.56–2.70 Å. There are one shorter (2.62 Å) and one longer (2.65 Å) Ni–Sn bond lengths. Both Ni–Sb bond lengths are 2.61 Å. In the fifth Ni site, Ni is bonded to eight Ni, two equivalent Sn, and two equivalent Sb atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with eight equivalent SnNi12 cuboctahedra, corners with ten NiNi8Sn2Sb2 cuboctahedra, edges with eighteen NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SnNi12 cuboctahedra, faces with four equivalent SbNi12 cuboctahedra, and faces with fourteen NiNi8Sn2Sb2 cuboctahedra. Both Ni–Sn bond lengths are 2.65 Å. Both Ni–Sb bond lengths are 2.68 Å. In the sixth Ni site, Ni is bonded to eight Ni, two equivalent Sn, and two equivalent Sb atoms to form NiNi8Sn2Sb2 cuboctahedra that share corners with eight equivalent SbNi12 cuboctahedra, corners with ten NiNi8Sn2Sb2 cuboctahedra, edges with eighteen NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SbNi12 cuboctahedra, faces with four equivalent SnNi12 cuboctahedra, and faces with fourteen NiNi8Sn2Sb2 cuboctahedra. Both Ni–Sn bond lengths are 2.69 Å. Both Ni–Sb bond lengths are 2.65 Å. Sn is bonded to twelve Ni atoms to form SnNi12 cuboctahedra that share corners with two equivalent SnNi12 cuboctahedra, corners with sixteen NiNi8Sn2Sb2 cuboctahedra, edges with two equivalent SnNi12 cuboctahedra, edges with four equivalent SbNi12 cuboctahedra, edges with twelve NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SnNi12 cuboctahedra, faces with four equivalent SbNi12 cuboctahedra, and faces with fourteen NiNi8Sn2Sb2 cuboctahedra. Sb is bonded to twelve Ni atoms to form SbNi12 cuboctahedra that share corners with two equivalent SbNi12 cuboctahedra, corners with sixteen NiNi8Sn2Sb2 cuboctahedra, edges with two equivalent SbNi12 cuboctahedra, edges with four equivalent SnNi12 cuboctahedra, edges with twelve NiNi8Sn2Sb2 cuboctahedra, faces with two equivalent SbNi12 cuboctahedra, faces with four equivalent SnNi12 cuboctahedra, and faces with fourteen NiNi8Sn2Sb2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSn2 by Materials Project

MgSn2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.02–3.34 Å. In the second Mg site, Mg is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Mg–Sn bond distances ranging from 3.13–3.26 Å. There are four inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to three Mg atoms. In the fourth Sn site, Sn is bonded in a 12-coordinate geometry to four Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Sn13Rh4 by Materials Project

SnEu3Rh4Sn12 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Eu is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Eu–Rh bond lengths are 3.49 Å. There are four shorter (3.46 Å) and eight longer (3.49 Å) Eu–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Eu 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 Eu, 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 Mg2Sn by Materials Project

Mg2Sn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted bent 120 degrees geometry to four Mg and two equivalent Sn atoms. There are two shorter (3.16 Å) and two longer (3.17 Å) Mg–Mg bond lengths. Both Mg–Sn bond lengths are 3.17 Å. In the second Mg site, Mg is bonded to eight Mg and four equivalent Sn atoms to form distorted MgMg8Sn4 cuboctahedra that share corners with twelve MgMg8Sn4 cuboctahedra, edges with three equivalent MgMg6Sn6 cuboctahedra, and faces with six MgMg8Sn4 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.36 Å. All Mg–Sn bond lengths are 3.24 Å. In the third Mg site, Mg is bonded to six Mg and six Sn atoms to form a mixture of distorted corner, edge, and face-sharing MgMg6Sn6 cuboctahedra. Both Mg–Mg bond lengths are 3.36 Å. There are two shorter (3.24 Å) and four longer (3.27 Å) Mg–Sn bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Mg and four Sn atoms. There are two shorter (3.11 Å) and two longer (3.12 Å) Mg–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 12-coordinate geometry to eight Mg atoms. In the second Sn site, Sn is bonded in a 12-coordinate geometry to eight Mg atoms.

36 MATERIALS SCIENCE↗