Materials Data on Sm4In21Pd10 by Materials Project

Abstract

Sm4Pd10In21 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 9-coordinate geometry to four Pd and ten In atoms. There are a spread of Sm–Pd bond distances ranging from 3.32–3.49 Å. There are a spread of Sm–In bond distances ranging from 3.19–3.61 Å. In the second Sm site, Sm is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are a spread of Sm–Pd bond distances ranging from 3.34–3.47 Å. There are a spread of Sm–In bond distances ranging from 3.17–3.87 Å. In the third Sm site, Sm is bonded in a 2-coordinate geometry to four Pd and eleven In atoms. There are a spread of Sm–Pd bond distances ranging from 3.31–3.42 Å. There are a spread of Sm–In bond distances ranging from 3.22–3.93 Å. In the fourth Sm site, Sm is bonded in a 11-coordinate geometry to four Pd and eleven In atoms. There are a spread of Sm–Pd bond distances ranging from 3.40–3.44 Å. There are a spread of Sm–In bond distances ranging from 3.21–3.90 Å. There are ten inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Sm and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.73–2.89 Å. In the second Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Sm and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.76–2.88 Å. In the third Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Sm and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.78–2.88 Å. In the fourth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Sm and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.74–3.27 Å. In the fifth Pd site, Pd is bonded in a 7-coordinate geometry to two equivalent Sm and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.68–2.84 Å. In the sixth Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.91 Å. In the seventh Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Sm and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.70–2.88 Å. In the eighth Pd site, Pd is bonded in a 10-coordinate geometry to two equivalent Sm and eight In atoms. There are a spread of Pd–In bond distances ranging from 2.76–3.25 Å. In the ninth Pd site, Pd is bonded in a 9-coordinate geometry to nine In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.90 Å. In the tenth Pd site, Pd is bonded in a 9-coordinate geometry to two equivalent Sm and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.90 Å. There are twenty-one inequivalent In sites. In the first In site, In is bonded in a 5-coordinate geometry to two equivalent Sm and three Pd atoms. In the second In site, In is bonded in a 5-coordinate geometry to two equivalent Sm and three Pd atoms. In the third In site, In is bonded in a 5-coordinate geometry to two equivalent Sm and three Pd atoms. In the fourth In site, In is bonded in a 5-coordinate geometry to two Sm, five Pd, and one In atom. The In–In bond length is 3.19 Å. In the fifth In site, In is bonded in a 4-coordinate geometry to one Sm, four Pd, and three In atoms. There are a spread of In–In bond distances ranging from 3.18–3.23 Å. In the sixth In site, In is bonded in a 4-coordinate geometry to three Sm, four Pd, and five In atoms. Both In–In bond lengths are 3.28 Å. In the seventh In site, In is bonded in a 12-coordinate geometry to three Sm, four Pd, and five In atoms. There are a spread of In–In bond distances ranging from 3.19–3.24 Å. In the eighth In site, In is bonded in a 5-coordinate geometry to two Sm, five Pd, and one In atom. The In–In bond length is 3.20 Å. In the ninth In site, In is bonded in a 3-coordinate geometry to one Sm, four Pd, and two equivalent In atoms. In the tenth In site, In is bonded in a 4-coordinate geometry to three Sm, four Pd, and five In atoms. There are one shorter (3.20 Å) and one longer (3.23 Å) In–In bond lengths. In the eleventh In site, In is bonded in a 4-coordinate geometry to three Sm and four Pd atoms. In the twelfth In site, In is bonded in a 12-coordinate geometry to four Pd atoms. In the thirteenth In site, In is bonded in a 3-coordinate geometry to three Sm and three Pd atoms. In the fourteenth In site, In is bonded in a 3-coordinate geometry to three Sm and three Pd atoms. In the fifteenth In site, In is bonded in a 5-coordinate geometry to two equivalent Sm and three Pd atoms. In the sixteenth In site, In is bonded in a 4-coordinate geometry to one Sm, four Pd, and two equivalent In atoms. In the seventeenth In site, In is bonded in a 3-coordinate geometry to three Sm and three Pd atoms. In the eighteenth In site, In is bonded in a 3-coordinate geometry to three Sm, three Pd, and two equivalent In atoms. In the nineteenth In site, In is bonded in a 3-coordinate geometry to one Sm and three Pd atoms. In the twentieth In site, In is bonded in a 3-coordinate geometry to one Sm and four Pd atoms. In the twenty-first In site, In is bonded in a 3-coordinate geometry to two Sm and three Pd atoms.