Question: YBaMn 2 O 5 has a structure with two crystallo graphically different Mn sites: (a) Determine the oxidation state and orbital occupancies of Mn(1) and

YBaMn2O5 has a structure with two crystallo graphically different Mn sites:

T = 1.5 K 0(1) 0(1) Mn(1) bonds 1 x 2.08 A 4 x 1.91 A O(2) Mn(2) bonds 1 x 1.96 A 4 x 2.09 A O(2)

(a) Determine the oxidation state and orbital occupancies of Mn(1) and Mn(2) in charge ordered YBaMn2O5.

(b) The occupation of one of the d orbitals alternates between Mn(1) and Mn(2). Which orbital is involved in YBaMn2O5 orbital ordering?

T = 1.5 K 0(1) 0(1) Mn(1) bonds 1 x 2.08 A 4 x 1.91 A O(2) Mn(2) bonds 1 x 1.96 A 4 x 2.09 A O(2)

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