Materials Data on Sm9Ni24Sn49 by Materials Project

Abstract

Sm9Ni24Sn49 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are a spread of Sm–Ni bond distances ranging from 3.28–3.32 Å. There are a spread of Sm–Sn bond distances ranging from 3.30–3.61 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are four shorter (3.29 Å) and two longer (3.30 Å) Sm–Ni bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.30–3.64 Å. In the third Sm site, Sm is bonded in a 12-coordinate geometry to six Ni and twelve Sn atoms. There are four shorter (3.29 Å) and two longer (3.30 Å) Sm–Ni bond lengths. There are a spread of Sm–Sn bond distances ranging from 3.32–3.62 Å. In the fourth Sm site, Sm is bonded in a cuboctahedral geometry to twelve Sn atoms. There are a spread of Sm–Sn bond distances ranging from 3.40–3.44 Å. There are eight inequivalent Ni sites. In the first Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.67 Å. In the second Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.67 Å. In the third Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.70 Å. In the fourth Ni site, Ni is bonded in a 8-coordinate geometry to two Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.68 Å. In the fifth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.70 Å. In the sixth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.55–2.68 Å. In the seventh Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.66 Å. In the eighth Ni site, Ni is bonded in a 8-coordinate geometry to two equivalent Sm and six Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.67 Å. There are seventeen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to two Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.30 Å. In the second Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the fourth Sn site, Sn is bonded in a 5-coordinate geometry to two Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.31 Å. In the fifth Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.28 Å. In the sixth Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the seventh Sn site, Sn is bonded in a 5-coordinate geometry to two equivalent Sm, three Ni, and one Sn atom. The Sn–Sn bond length is 3.33 Å. In the eighth Sn site, Sn is bonded in a 6-coordinate geometry to three Sm and three Ni atoms. In the ninth Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the tenth Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the eleventh Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the twelfth Sn site, Sn is bonded in a 3-coordinate geometry to two Sm and three Ni atoms. In the thirteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the fourteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the fifteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the sixteenth Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Sm and three Ni atoms. In the seventeenth Sn site, Sn is bonded in a cuboctahedral geometry to twelve Sn atoms.