Materials Data on YFe11Re by Materials Project
YReFe11 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to one Re and nineteen Fe atoms. The Y–Re bond length is 3.14 Å. There are a spread of Y–Fe bond distances ranging from 3.02–3.26 Å. Re is bonded in a 1-coordinate geometry to one Y and thirteen Fe atoms. There are a spread of Re–Fe bond distances ranging from 2.37–2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Y and ten Fe atoms to form distorted FeY2Fe10 cuboctahedra that share corners with eighteen FeY2Fe8Re2 cuboctahedra, edges with seven FeY2Fe10 cuboctahedra, and faces with fifteen FeY2Fe8Re2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.42–2.74 Å. In the second Fe site, Fe is bonded to two equivalent Y, two equivalent Re, and eight Fe atoms to form a mixture of distorted face, edge, and corner-sharing FeY2Fe8Re2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.72 Å. In the third Fe site, Fe is bonded to two equivalent Y, one Re, and nine Fe atoms to form distorted FeY2Fe9Re cuboctahedra that share corners with eighteen FeY2Fe10 cuboctahedra, edges with seven FeY2Fe9Re cuboctahedra, and faces with fifteen FeY2Fe10 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.43–2.62 Å. In the fourth Fe site, Fe is bonded to two equivalent Y, one Re, and nine Fe atoms to form a mixture of face, edge, and corner-sharing FeY2Fe9Re cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.62 Å. In the fifth Fe site, Fe is bonded in a 1-coordinate geometry to one Y, one Re, and twelve Fe atoms. All Fe–Fe bond lengths are 2.88 Å. In the sixth Fe site, Fe is bonded in a 12-coordinate geometry to one Y, two equivalent Re, and eleven Fe atoms. The Fe–Fe bond length is 2.38 Å.