DOI: 10.17188/1280885
title: Materials Data on Sm11(CoB)40 by Materials Project

description: Sm11(CoB)40 crystallizes in the tetragonal P-42_1c space group. The structure is three-dimensional. there are six inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to six Co and eight B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–2.95 Å. There are a spread of Sm–B bond distances ranging from 2.72–2.92 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to eight Co and eight B atoms. There are a spread of Sm–Co bond distances ranging from 2.88–3.05 Å. There are a spread of Sm–B bond distances ranging from 2.71–2.85 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to eight Co and ten B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–3.19 Å. There are a spread of Sm–B bond distances ranging from 2.74–3.10 Å. In the fourth Sm site, Sm is bonded in a 6-coordinate geometry to eight Co and ten B atoms. There are a spread of Sm–Co bond distances ranging from 2.89–3.11 Å. There are a spread of Sm–B bond distances ranging from 2.77–3.23 Å. In the fifth Sm site, Sm is bonded in a 6-coordinate geometry to eight B atoms. There are a spread of Sm–B bond distances ranging from 2.73–2.99 Å. In the sixth Sm site, Sm is bonded in a 12-coordinate geometry to eight Co and eight B atoms. There are four shorter (2.90 Å) and four longer (3.04 Å) Sm–Co bond lengths. There are four shorter (2.78 Å) and four longer (2.82 Å) Sm–B bond lengths. There are ten inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.33 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.50 Å. In the third Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.43 Å. In the fourth Co site, Co is bonded in a 5-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.16 Å. In the fifth Co site, Co is bonded in a 5-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.22 Å. In the sixth Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.41 Å. In the seventh Co site, Co is bonded in a 5-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.25 Å. In the eighth Co site, Co is bonded in a 5-coordinate geometry to two equivalent Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.34 Å. In the ninth Co site, Co is bonded in a 4-coordinate geometry to two Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.00–2.48 Å. In the tenth Co site, Co is bonded in a 4-coordinate geometry to one Sm and five B atoms. There are a spread of Co–B bond distances ranging from 2.01–2.50 Å. There are ten inequivalent B sites. In the first B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.80 Å. In the second B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.79 Å. In the third B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom. The B–B bond length is 1.80 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. The B–B bond length is 1.78 Å. In the fifth B site, B is bonded in a 8-coordinate geometry to two equivalent Sm, five Co, and one B atom. The B–B bond length is 1.77 Å. In the sixth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the seventh B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the eighth B site, B is bonded in a 5-coordinate geometry to two Sm, five Co, and one B atom. In the ninth B site, B is bonded in a 8-coordinate geometry to two Sm, five Co, and one B atom. In the tenth B site, B is bonded in a 5-coordinate geometry to three Sm, five Co, and one B atom.