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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on InSn3 by Materials Project

InSn3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. In is bonded to six equivalent In and six equivalent Sn atoms to form InIn6Sn6 cuboctahedra that share corners with six equivalent InIn6Sn6 cuboctahedra, corners with twelve equivalent SnSn12 cuboctahedra, edges with six equivalent InIn6Sn6 cuboctahedra, edges with twelve equivalent SnIn3Sn9 cuboctahedra, faces with six equivalent InIn6Sn6 cuboctahedra, and faces with fourteen SnSn12 cuboctahedra. All In–In bond lengths are 3.37 Å. All In–Sn bond lengths are 3.41 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded to twelve Sn atoms to form SnSn12 cuboctahedra that share corners with six equivalent SnSn12 cuboctahedra, corners with twelve equivalent InIn6Sn6 cuboctahedra, edges with eighteen SnSn12 cuboctahedra, faces with two equivalent InIn6Sn6 cuboctahedra, and faces with eighteen SnSn12 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.42 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to three equivalent In and nine Sn atoms to form distorted SnIn3Sn9 cuboctahedra that share corners with eighteen equivalent SnIn3Sn9 cuboctahedra, edges with six equivalent InIn6Sn6 cuboctahedra, edges with twelve SnSn12 cuboctahedra, faces with six equivalent InIn6Sn6 cuboctahedra, and faces with fourteen SnSn12 cuboctahedra. All Sn–Sn bond lengths are 3.37 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InSn3 by Materials Project

InSn3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. In is bonded to twelve equivalent Sn atoms to form InSn12 cuboctahedra that share corners with twelve equivalent InSn12 cuboctahedra, edges with twenty-four equivalent SnIn4Sn8 cuboctahedra, faces with six equivalent InSn12 cuboctahedra, and faces with twelve equivalent SnIn4Sn8 cuboctahedra. All In–Sn bond lengths are 3.41 Å. Sn is bonded to four equivalent In and eight equivalent Sn atoms to form SnIn4Sn8 cuboctahedra that share corners with twelve equivalent SnIn4Sn8 cuboctahedra, edges with eight equivalent InSn12 cuboctahedra, edges with sixteen equivalent SnIn4Sn8 cuboctahedra, faces with four equivalent InSn12 cuboctahedra, and faces with fourteen equivalent SnIn4Sn8 cuboctahedra. All Sn–Sn bond lengths are 3.41 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on InSn3 by Materials Project

InSn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. In is bonded to twelve equivalent Sn atoms to form InSn12 cuboctahedra that share corners with six equivalent InSn12 cuboctahedra, corners with twelve equivalent SnIn4Sn8 cuboctahedra, edges with eighteen equivalent SnIn4Sn8 cuboctahedra, faces with eight equivalent InSn12 cuboctahedra, and faces with twelve equivalent SnIn4Sn8 cuboctahedra. There are six shorter (3.37 Å) and six longer (3.41 Å) In–Sn bond lengths. Sn is bonded to four equivalent In and eight equivalent Sn atoms to form distorted SnIn4Sn8 cuboctahedra that share corners with four equivalent InSn12 cuboctahedra, corners with fourteen equivalent SnIn4Sn8 cuboctahedra, edges with six equivalent InSn12 cuboctahedra, edges with twelve equivalent SnIn4Sn8 cuboctahedra, faces with four equivalent InSn12 cuboctahedra, and faces with sixteen equivalent SnIn4Sn8 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.36–3.41 Å.

36 MATERIALS SCIENCE↗