Table 2. Energy position of experimentally observed and calculated U M ₄-edge HERFD-XANES post-edge spectral features; the U-f cubic harmonics mainly contributing to these features are also indicated.

Feature	Experimental	Calculated	Involved U-f cubic harmonics
A	3731.9 (5) eV	3732.1 (1) eV	U-f_{x^{3}}, U-f_{y^{3}}, U-f_{z^{3}}
B	3734.7 (5) eV	3734.7 (1) eV	U-f xyz
C	3738.3 (5) eV	3737.0 (1) eV	U-f xyz ,
			U-f_{x^{3}}, U-f_{y^{3}}, U-f_{z^{3}}
D	3750.1 (5) eV	3746.5 (1) eV	U-f xyz ,
			U-f_{x(y^{2}+z^{2})}, U-f_{y(x^{2}+z^{2})}, U-f_{z(x^{2}+y^{2})}
E	3757.3 (5) eV	3754.9 (1) eV	U-f xyz ,
			U-f_{x(y^{2}+z^{2})}, U-f_{y(x^{2}+z^{2})}, U-f_{z(x^{2}+y^{2})}
F	3765.3 (5) eV	3763.1 (1) eV	U-f_{x^{3}}, U-f_{y^{3}}, U-f_{z^{3}}