The crystal structure of YbFe2Al10, a combined substitution and stacking variant of the ThMn12 and CeMn4Al8 type structures

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Abstract
YbFe2Al10 crystallizes with a new structure type, which was determined from single-crystal X-ray data: Cmcm, a = 896.6(1)pm, b = 1015.3(2)pm, c = 900.3(1) pm, Z = 4, R = 0.024 for 795 structure factors and 41 variable parameters. The structure is closely related to the tetragonal ThMn12 and CeMn4Al8 type structures, from which it can be derived by substitution of some manganese by aluminum atoms, and in addition it has a different stacking of atomic layers. The ytterbium atoms have 20 neighbors (4 Fe + 16 Al), the iron atoms have distorted icosahedral coordination (2 Yb + 10 Al), and all of the five different aluminum sites are coordinated by ytterbium, iron, and aluminum atoms with coordination numbers 12, 13, and 14.