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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Na10SrSn12 by Materials Project

Na10SrSn12 crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded to four equivalent Sn atoms to form corner-sharing NaSn4 tetrahedra. All Na–Sn bond lengths are 3.25 Å. In the second Na site, Na is bonded in a 9-coordinate geometry to nine equivalent Sn atoms. There are three shorter (3.45 Å) and six longer (3.58 Å) Na–Sn bond lengths. Sr is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. All Sr–Sn bond lengths are 3.51 Å. Sn is bonded in a 9-coordinate geometry to five Na, one Sr, and three equivalent Sn atoms. There are one shorter (2.95 Å) and two longer (3.03 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2SrSn4 by Materials Project

Na2SrSn4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na is bonded in a 5-coordinate geometry to six Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.21–3.66 Å. Sr is bonded to twelve Sn atoms to form a mixture of distorted edge and face-sharing SrSn12 cuboctahedra. There are a spread of Sr–Sn bond distances ranging from 3.57–3.82 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 1-coordinate geometry to two equivalent Na, four equivalent Sr, and three Sn atoms. There are two shorter (2.99 Å) and one longer (3.00 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four equivalent Na, two equivalent Sr, and four Sn atoms. Both Sn–Sn bond lengths are 3.34 Å.

36 MATERIALS SCIENCE↗