. 2022 Jun 9;7(24):20914–20926. doi: 10.1021/acsomega.2c01630

Table 6. The Calculated Mulliken Bond Number (n^μ), Bond Length (d^μ), and Bond Overlap Population (P^μ) of the AVO₃ Compounds.

compounds	bonds	n^μ	d^μ (Å)	P^μ
	V–O	3	1.96337	0.92
BaVO₃	Ba–V	1	3.40065	–0.70
	O–O	3	2.77662	–0.13
	V–O	3	1.91503	0.88
SrVO₃	Sr–V	1	3.31693	–0.52
	O–O	3	2.70826	–0.15
	V–O	3	1.88698	0.87
CaVO₃	Ca–V	1	3.26835	–0.36
	O–O	3	2.66860	–0.17
	V–O	3	1.86655	0.85
MgVO₃	Mg–V	1	3.23296	–0.34
	O–O	3	2.63970	–0.20

Table 6. The Calculated Mulliken Bond Number (nμ), Bond Length (dμ), and Bond Overlap Population (Pμ) of the AVO3 Compounds.