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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CsSn by Materials Project

CsSn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.06–4.21 Å. In the second Cs site, Cs is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of Cs–Sn bond distances ranging from 4.09–4.19 Å. Sn is bonded in a 10-coordinate geometry to seven Cs and three equivalent Sn atoms. There are one shorter (2.99 Å) and two longer (3.00 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs4Sn23 by Materials Project

Cs4Sn23 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 12-coordinate geometry to twelve Sn atoms. There are eight shorter (4.29 Å) and four longer (4.50 Å) Cs–Sn bond lengths. In the second Cs site, Cs is bonded in a 8-coordinate geometry to twenty Sn atoms. There are eight shorter (4.06 Å) and twelve longer (4.19 Å) Cs–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three Cs and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.94–3.01 Å. In the second Sn site, Sn is bonded to four equivalent Cs and four equivalent Sn atoms to form a mixture of distorted corner and edge-sharing SnCs4Sn4 tetrahedra. In the third Sn site, Sn is bonded in a distorted pentagonal planar geometry to one Cs and four Sn atoms. The Sn–Sn bond length is 2.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSn by Materials Project

CsSn crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent Cs sites. In the first Cs site, Cs is bonded in a 6-coordinate geometry to six Sn atoms. There are a spread of Cs–Sn bond distances ranging from 3.91–4.18 Å. In the second Cs site, Cs is bonded in a 6-coordinate geometry to six Sn atoms. There are three shorter (4.05 Å) and three longer (4.17 Å) Cs–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three equivalent Sn atoms. There are two shorter (2.98 Å) and one longer (3.01 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Cs and three equivalent Sn atoms. All Sn–Sn bond lengths are 2.99 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CsSn3 by Materials Project

CsSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cs is bonded in a 12-coordinate geometry to twelve equivalent Sn atoms. There are six shorter (4.03 Å) and six longer (4.13 Å) Cs–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to four equivalent Cs and six equivalent Sn atoms. There are two shorter (3.07 Å) and four longer (3.27 Å) Sn–Sn bond lengths.

36 MATERIALS SCIENCE↗