DOI: 10.17188/1726356
title: Materials Data on Yb9Co13Sn38 by Materials Project

description: Yb9Co13Sn38 crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are seven inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Co and twelve Sn atoms. All Yb–Co bond lengths are 3.37 Å. There are a spread of Yb–Sn bond distances ranging from 3.30–3.46 Å. In the second Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Co and twelve Sn atoms. All Yb–Co bond lengths are 3.38 Å. There are a spread of Yb–Sn bond distances ranging from 3.31–3.46 Å. In the third Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Co and twelve Sn atoms. All Yb–Co bond lengths are 3.37 Å. There are a spread of Yb–Sn bond distances ranging from 3.30–3.43 Å. In the fourth Yb site, Yb is bonded in a 12-coordinate geometry to four Co and twelve Sn atoms. There are two shorter (3.38 Å) and two longer (3.39 Å) Yb–Co bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.30–3.48 Å. In the fifth Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Co and twelve Sn atoms. All Yb–Co bond lengths are 3.38 Å. There are a spread of Yb–Sn bond distances ranging from 3.29–3.48 Å. In the sixth Yb site, Yb is bonded in a 12-coordinate geometry to four Co and twelve Sn atoms. There are two shorter (3.38 Å) and two longer (3.39 Å) Yb–Co bond lengths. There are a spread of Yb–Sn bond distances ranging from 3.30–3.46 Å. In the seventh Yb site, Yb is bonded in a 12-coordinate geometry to four equivalent Co and twelve Sn atoms. All Yb–Co bond lengths are 3.40 Å. There are a spread of Yb–Sn bond distances ranging from 3.30–3.43 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 6-coordinate geometry to three Yb and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.58–2.60 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to three Yb and six Sn atoms. There are two shorter (2.58 Å) and four longer (2.59 Å) Co–Sn bond lengths. In the third Co site, Co is bonded in a 6-coordinate geometry to three Yb and six Sn atoms. There are a spread of Co–Sn bond distances ranging from 2.58–2.60 Å. In the fourth Co site, Co is bonded in a cuboctahedral geometry to twelve Sn atoms. There are a spread of Co–Sn bond distances ranging from 3.09–3.12 Å. There are nineteen inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, three Co, and one Sn atom. The Sn–Sn bond length is 2.96 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.24 Å. In the third Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, three Co, and three Sn atoms. There are one shorter (2.92 Å) and two longer (3.33 Å) Sn–Sn bond lengths. In the fourth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, three Co, and one Sn atom. The Sn–Sn bond length is 2.93 Å. In the fifth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.01–3.24 Å. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, three Co, and one Sn atom. The Sn–Sn bond length is 2.92 Å. In the seventh Sn site, Sn is bonded in a 7-coordinate geometry to three Yb, three Co, and one Sn atom. In the eighth Sn site, Sn is bonded in a 5-coordinate geometry to three Yb, two equivalent Co, and four Sn atoms. There are a spread of Sn–Sn bond distances ranging from 3.03–3.26 Å. In the ninth Sn site, Sn is bonded in a 5-coordinate geometry to three Yb, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 3.25 Å. In the tenth Sn site, Sn is bonded in a 5-coordinate geometry to three Yb, two equivalent Co, and two Sn atoms. There are one shorter (3.04 Å) and one longer (3.24 Å) Sn–Sn bond lengths. In the eleventh Sn site, Sn is bonded in a 9-coordinate geometry to three Yb, two equivalent Co, and four Sn atoms. The Sn–Sn bond length is 3.24 Å. In the twelfth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, two Co, and two Sn atoms. The Sn–Sn bond length is 3.26 Å. In the thirteenth Sn site, Sn is bonded in a 5-coordinate geometry to three Yb, two equivalent Co, and four Sn atoms. There are one shorter (3.05 Å) and one longer (3.26 Å) Sn–Sn bond lengths. In the fourteenth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 3.25 Å. In the fifteenth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, two equivalent Co, and one Sn atom. The Sn–Sn bond length is 3.25 Å. In the sixteenth Sn site, Sn is bonded in a 2-coordinate geometry to three Yb, two equivalent Co, and four Sn atoms. There are one shorter (3.03 Å) and one longer (3.26 Å) Sn–Sn bond lengths. In the seventeenth Sn site, Sn is bonded in a cuboctahedral geometry to twelve Sn atoms. In the eighteenth Sn site, Sn is bonded in a cuboctahedral geometry to twelve Sn atoms. In the nineteenth Sn site, Sn is bonded in a cuboctahedral geometry to twelve Sn atoms.