Table 2. Values of the apparent valence, V_i = Σ_jν_ij, for the O3 atom in Model 2.

d_j are the distances to the coordinating cations and the numbers in parentheses are the individual contributions, ν_ij, to the valence sum for each cation j.

δBa	Vi	d Hg1,2	d Hg3,4	d Ba1	d Ba2 †
0.0	1.749	2.001	3.887	3.184	3.747
		(0.761‡)	(0.005‡)	(0.089‡)	(0.019‡)
0.10	1.803	2.001	3.887	3.029	4.010
		(0.761‡)	(0.005‡)	(0.136‡)	(0.010‡)
0.30	1.965	2.001	3.887	2.856	4.589
		(0.761‡)	(0.005‡)	(0.217‡)	(0.002‡)
0.375	1.999	1.997	3.904	2.856	4.769
		(0.769‡)	(0.004‡)	(0.224‡)	(0.001‡)

^†Ba2 is in the next unit cell along b from Ba1 (see Fig. 6 ▸).

^‡Value ×2 because there are two of each vector length.