Table 1. Bond critical points and properties evaluated at these points.

R is distance between the atoms; d1 and d2 are the distances from the BCP to the first and second atom, respectively; ρ(r _b) and ∇²ρ(r _b) are the electron density and Laplacian of the electron density; G(r _b), V(r _b) and H(r _b) are the kinetic, potential and total energy densities at the BCP; and ∊ is the ellipticity. The Sb—O2 bond marked by an asterisk is not shown in the structural figures, as it is significantly longer than the typical bond length.

	R (Å)	d1 (Å)	d2 (Å)	ρ(r b) (eÅ−3)	∇2ρ(r b) (eÅ−5)	G(r b) (Hartree Å−3)	V(r b) (Hartree Å−3)	H(r b) (Hartree Å−3)	G(r b)/ρ(r b) (Hartree e−1)	∊
Mn—O2	2.16	1.07	1.09	0.39	6.13	0.50	−0.57	−0.07	1.27	0.03
M—O1	2.18	1.08	1.10	0.35	5.69	0.45	−0.50	−0.05	1.26	0.04
Sb—O2	1.97	1.01	0.96	0.80	10.28	0.98	−1.24	−0.26	1.23	0.01
Sb—O1	2.02	1.03	0.99	0.70	9.01	0.83	−1.02	−0.20	1.19	0.05
Sb—O2*	2.84	1.49	1.35	0.14	1.33	0.09	−0.09	0.00	0.67	0.01
Sb—Sb	4.22	2.11	2.11	0.04	0.27	0.02	−0.01	0.00	0.38	0.08