Table 6. A priori bond valences (v.u.) for CaNb5+ 2(P4O13)(P2O7)O.
Nb1 | Nb2 | Ca | P1 | P2 | P3 | P4 | ∑ | |
---|---|---|---|---|---|---|---|---|
O1 | 0.267 ×2↓ | 1.733 | 2 | |||||
O2 | 0.782 ×2↓ | 1.218 | 2 | |||||
O3 | 1 ×2→ | 2 | ||||||
O4 | 1.049 | 0.951 | 2 | |||||
O5 | 0.805 ×2↓ | 1.195 | 2 | |||||
O6 | 0.316 ×2↓ | 1.684 | 2 | |||||
O7 | 0.831 ×2↓ | 1.169 | 2 | |||||
O8 | 0.837 ×2↓ | 1.163 ×2↓ | 2 | |||||
O9 | 0.348 | 1.652 | 2 | |||||
O10 | 1.169 | 0.978 | 2 | |||||
O11 | 0.859 ×2↓ | 1.141 ×2↓ | 2 | |||||
O12 | 0.261 | 1.739 | 2 | |||||
O13 | 1.515 | 0.458 | 2 | |||||
∑ | 5 | 5 | 2 | 5 | 5 | 5 | 5 |