DOI: 10.17188/1727574
title: Materials Data on Na5Sn13 by Materials Project

description: Na5Sn13 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are ten inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to eight Sn atoms. There are four shorter (3.34 Å) and four longer (3.52 Å) Na–Sn bond lengths. In the second Na site, Na is bonded in a 10-coordinate geometry to ten Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.25–3.39 Å. In the third Na site, Na is bonded in a 8-coordinate geometry to one Na and eight Sn atoms. The Na–Na bond length is 3.45 Å. There are a spread of Na–Sn bond distances ranging from 3.26–3.62 Å. In the fourth Na site, Na is bonded in a 12-coordinate geometry to twelve Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.27–3.71 Å. In the fifth Na site, Na is bonded to five Sn atoms to form distorted NaSn5 trigonal bipyramids that share a cornercorner with one NaSn4 tetrahedra and a cornercorner with one SnSn4 tetrahedra. There are a spread of Na–Sn bond distances ranging from 3.31–3.48 Å. In the sixth Na site, Na is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.23–3.50 Å. In the seventh Na site, Na is bonded in a 9-coordinate geometry to nine Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.31–3.61 Å. In the eighth Na site, Na is bonded in a 5-coordinate geometry to eight Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.30–3.79 Å. In the ninth Na site, Na is bonded in a 7-coordinate geometry to seven Sn atoms. There are a spread of Na–Sn bond distances ranging from 3.28–3.60 Å. In the tenth Na site, Na is bonded to four Sn atoms to form NaSn4 tetrahedra that share corners with two equivalent SnSn4 tetrahedra and corners with two equivalent NaSn5 trigonal bipyramids. There are two shorter (3.36 Å) and two longer (3.55 Å) Na–Sn bond lengths. There are nineteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. There are two shorter (2.91 Å) and one longer (2.94 Å) Sn–Sn bond lengths. In the second Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.92–2.99 Å. In the third Sn site, Sn is bonded in a 7-coordinate geometry to three Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.89–2.96 Å. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to three Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.92–3.00 Å. In the fifth Sn site, Sn is bonded in a distorted trigonal bipyramidal geometry to one Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.91–3.04 Å. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to two Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.92–2.97 Å. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Na and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 2.91–2.95 Å. In the eighth Sn site, Sn is bonded in a 8-coordinate geometry to five Na and three Sn atoms. The Sn–Sn bond length is 3.05 Å. In the ninth Sn site, Sn is bonded in a 4-coordinate geometry to one Na and four Sn atoms. There are one shorter (2.88 Å) and two longer (2.94 Å) Sn–Sn bond lengths. In the tenth Sn site, Sn is bonded to four Sn atoms to form SnSn4 tetrahedra that share a cornercorner with one NaSn4 tetrahedra and a cornercorner with one NaSn5 trigonal bipyramid. The Sn–Sn bond length is 2.90 Å. In the eleventh Sn site, Sn is bonded in a 6-coordinate geometry to three Na and three Sn atoms. All Sn–Sn bond lengths are 2.94 Å. In the twelfth Sn site, Sn is bonded in a 6-coordinate geometry to three Na and three Sn atoms. The Sn–Sn bond length is 2.90 Å. In the thirteenth Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. In the fourteenth Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms. In the fifteenth Sn site, Sn is bonded in a distorted rectangular see-saw-like geometry to one Na and three Sn atoms. In the sixteenth Sn site, Sn is bonded in a 8-coordinate geometry to five Na and three Sn atoms. The Sn–Sn bond length is 2.93 Å. In the seventeenth Sn site, Sn is bonded in a 8-coordinate geometry to four Na and four Sn atoms. The Sn–Sn bond length is 2.99 Å. In the eighteenth Sn site, Sn is bonded in a 6-coordinate geometry to two equivalent Na and four Sn atoms. In the nineteenth Sn site, Sn is bonded in a 7-coordinate geometry to four Na and three Sn atoms.