Materials Data on Dy3Fe2Si7 by Materials Project

Abstract

Dy3Fe2Si7 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded in a 10-coordinate geometry to four equivalent Fe and ten Si atoms. All Dy–Fe bond lengths are 3.21 Å. There are a spread of Dy–Si bond distances ranging from 3.00–3.11 Å. In the second Dy site, Dy is bonded in a 10-coordinate geometry to four equivalent Fe and ten Si atoms. All Dy–Fe bond lengths are 3.19 Å. There are a spread of Dy–Si bond distances ranging from 3.02–3.10 Å. In the third Dy site, Dy is bonded in a 12-coordinate geometry to two Fe and twelve Si atoms. There are one shorter (3.12 Å) and one longer (3.13 Å) Dy–Fe bond lengths. There are a spread of Dy–Si bond distances ranging from 2.90–3.01 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five Dy and five Si atoms. There are four shorter (2.23 Å) and one longer (2.28 Å) Fe–Si bond lengths. In the second Fe site, Fe is bonded in a 5-coordinate geometry to five Dy and five Si atoms. There are a spread of Fe–Si bond distances ranging from 2.24–2.28 Å. There are seven inequivalent Si sites. In the first Si site, Si is bonded in a 2-coordinate geometry to four Dy, two equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.71 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to six Dy, one Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.47 Å. In the third Si site, Si is bonded in a 2-coordinate geometry to four Dy, two equivalent Fe, and two equivalent Si atoms. Both Si–Si bond lengths are 2.70 Å. In the fourth Si site, Si is bonded in a 9-coordinate geometry to six Dy, one Fe, and two equivalent Si atoms. In the fifth Si site, Si is bonded in a 2-coordinate geometry to four Dy and two equivalent Fe atoms. In the sixth Si site, Si is bonded in a 4-coordinate geometry to four equivalent Dy and four Si atoms. In the seventh Si site, Si is bonded in a 2-coordinate geometry to four Dy and two equivalent Fe atoms.