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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K4Sn23 by Materials Project

(K)3KSn23 is Matlockite-derived structured and crystallizes in the cubic Pm-3n space group. The structure is three-dimensional and consists of six potassium molecules and one KSn23 framework. In the KSn23 framework, K is bonded in a distorted body-centered cubic geometry to eight equivalent Sn atoms. All K–Sn bond lengths are 4.03 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted pentagonal planar geometry to one K and four Sn atoms. There are one shorter (2.90 Å) and three longer (2.93 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded to four equivalent Sn atoms to form corner-sharing SnSn4 tetrahedra. All Sn–Sn bond lengths are 2.95 Å. In the third Sn site, Sn is bonded to four Sn atoms to form distorted corner-sharing SnSn4 tetrahedra. The Sn–Sn bond length is 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSn by Materials Project

KSn crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 12-coordinate geometry to eight equivalent Sn atoms. There are a spread of K–Sn bond distances ranging from 3.81–3.87 Å. In the second K site, K is bonded in a 6-coordinate geometry to six equivalent Sn atoms. There are a spread of K–Sn bond distances ranging from 3.72–3.89 Å. Sn is bonded in a 10-coordinate geometry to seven K and three equivalent Sn atoms. All Sn–Sn bond lengths are 3.01 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K4Sn9 by Materials Project

K4Sn9 is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.66–4.02 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of K–Sn bond distances ranging from 3.51–4.07 Å. In the third K site, K is bonded in a 8-coordinate geometry to nine Sn atoms. There are a spread of K–Sn bond distances ranging from 3.59–4.12 Å. In the fourth K site, K is bonded in a 3-coordinate geometry to eight Sn atoms. There are a spread of K–Sn bond distances ranging from 3.61–4.12 Å. There are nine inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.03–3.29 Å. In the second Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.06 Å. In the third Sn site, Sn is bonded in a 8-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.99–3.21 Å. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three K and five Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.98–3.38 Å. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are one shorter (2.99 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the sixth Sn site, Sn is bonded in a 1-coordinate geometry to four K and four Sn atoms. The Sn–Sn bond length is 3.01 Å. In the seventh Sn site, Sn is bonded in a 8-coordinate geometry to four K and four Sn atoms. There are one shorter (2.98 Å) and one longer (3.04 Å) Sn–Sn bond lengths. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to two K and four Sn atoms. In the ninth Sn site, Sn is bonded in a 9-coordinate geometry to four K and five Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Sn by Materials Project

K3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Sn atoms to form a mixture of distorted corner, edge, and face-sharing KK4Sn4 tetrahedra. All K–K bond lengths are 3.85 Å. All K–Sn bond lengths are 3.85 Å. In the second K site, K is bonded in a body-centered cubic geometry to eight equivalent K atoms. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2Sn by Materials Project

K2Sn is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K is bonded to four equivalent Sn atoms to form a mixture of edge and corner-sharing KSn4 tetrahedra. There are three shorter (3.74 Å) and one longer (3.77 Å) K–Sn bond lengths. Sn is bonded in a body-centered cubic geometry to eight equivalent K atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSn3 by Materials Project

KSn3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K is bonded to twelve equivalent Sn atoms to form a mixture of distorted face and corner-sharing KSn12 cuboctahedra. There are six shorter (3.63 Å) and six longer (3.80 Å) K–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to four equivalent K and six equivalent Sn atoms. All Sn–Sn bond lengths are 3.20 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KSn2 by Materials Project

KSn2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to four equivalent K and twelve Sn atoms. There are a spread of K–K bond distances ranging from 3.63–4.08 Å. There are a spread of K–Sn bond distances ranging from 3.65–3.92 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to six equivalent K and six Sn atoms to form a mixture of edge, corner, and face-sharing SnK6Sn6 cuboctahedra. All Sn–Sn bond lengths are 3.16 Å. In the second Sn site, Sn is bonded to six equivalent K and six Sn atoms to form a mixture of distorted edge, corner, and face-sharing SnK6Sn6 cuboctahedra. There are a spread of Sn–Sn bond distances ranging from 3.27–3.42 Å. In the third Sn site, Sn is bonded to six equivalent K and six Sn atoms to form a mixture of distorted edge, corner, and face-sharing SnK6Sn6 cuboctahedra.

36 MATERIALS SCIENCE↗