Table 2. Net atomic charge Ω (e−) at atoms/ions and atomic/ionic volumes V (Å3).
Ag_exp Ω, V | Ag_exp (APS completeness) Ω, V | Mo_exp Ω, V | APS_exp Ω V | |
---|---|---|---|---|
K1 | +1.16, 19.0 | +1.15, 19.1 | +1.21, 18.0 | +1.18, 19.5 |
K2 | +1.12, 20.0 | +1.09, 19.9 | +0.99, 19.8 | +0.63, 19.9 |
S3 | +3.06, 5.6 | +3.13, 5.4 | +3.13, 5.6 | +3.64, 4.4 |
Mg4 | +1.53, 5.3 | +1.55, 5.1 | +1.85, 4.2 | +1.78, 4.5 |
Mg5 | +1.55, 5.8 | +1.56, 5.8 | +1.91, 4.3 | +1.71, 5.4 |
O6 | −1.03, 13.2 | −1.08, 13.4 | −1.29, 14.2 | −1.28, 14.9 |
O7 | −1.09, 15.4 | −1.10, 15.6 | −1.35, 16.0 | −1.03, 14.9 |
O8 | −1.02, 13.8 | −1.05, 14.0 | −1.10, 14.8 | −1.07, 13.9 |
O9 | −1.72, 17.2 | −1.7, 16.9 | −1.46, 16.3 | −2.05, 18.4 |
Total charge | −0.16 | −0.20 | −1.00 | −0.28 |
Total volume | 982.8 | 983.2 | 988.0 | 995.2 |