Materials Data on Sm5Se9 by Materials Project
Sm5Se9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent Sm+2.40+ sites. In the first Sm+2.40+ site, Sm+2.40+ is bonded in a 9-coordinate geometry to nine Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 3.01–3.17 Å. In the second Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.90–3.18 Å. In the third Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.93–3.19 Å. In the fourth Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.12 Å. In the fifth Sm+2.40+ site, Sm+2.40+ is bonded in a 8-coordinate geometry to eight Se+1.33- atoms. There are a spread of Sm–Se bond distances ranging from 2.95–3.16 Å. There are nine inequivalent Se+1.33- sites. In the first Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sm+2.40+ and one Se+1.33- atom. The Se–Se bond length is 2.52 Å. In the second Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to four Sm+2.40+ atoms. In the third Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the fourth Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the fifth Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to four Sm+2.40+ and one Se+1.33- atom. The Se–Se bond length is 2.53 Å. In the sixth Se+1.33- site, Se+1.33- is bonded in a 4-coordinate geometry to four Sm+2.40+ atoms. In the seventh Se+1.33- site, Se+1.33- is bonded in a 5-coordinate geometry to five Sm+2.40+ atoms. In the eighth Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids. In the ninth Se+1.33- site, Se+1.33- is bonded to five Sm+2.40+ atoms to form a mixture of distorted corner and edge-sharing SeSm5 trigonal bipyramids.