Materials Data on Sn3S7 by Materials Project

Abstract

Sn3S7 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two Sn3S7 sheets oriented in the (0, 0, 1) direction. there are six inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.66 Å. In the second Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.63 Å. In the third Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.45–2.65 Å. In the fourth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.64 Å. In the fifth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.64 Å. In the sixth Sn2+ site, Sn2+ is bonded to five S+0.86- atoms to form edge-sharing SnS5 trigonal bipyramids. There are a spread of Sn–S bond distances ranging from 2.44–2.67 Å. There are fourteen inequivalent S+0.86- sites. In the first S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the second S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the third S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fourth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fifth S+0.86- site, S+0.86- is bonded in a distorted T-shaped geometry to three Sn2+ atoms. In the sixth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the seventh S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the eighth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the ninth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the tenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the eleventh S+0.86- site, S+0.86- is bonded in a 3-coordinate geometry to three Sn2+ atoms. In the twelfth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the thirteenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms. In the fourteenth S+0.86- site, S+0.86- is bonded in an L-shaped geometry to two Sn2+ atoms.