Table 2. A Site Coordination Numbers, Bond Distances, and Bond Valence Sums in A3YGa2O7.5 Phases.
| Ba–O |
Sr–O |
Ba to Sr | |||||||
|---|---|---|---|---|---|---|---|---|---|
| site | CN (Ba/Sr) | average (Å) | variance (Å2) | BVS | average (Å) | variance (Å2) | BVS | no. of longer bonds | |
| all A–O | Ba1/Sr3 | 10/10 | 3.012 | 0.130 | 1.91 | 2.896 | 0.173 | 1.93 | 3 |
| Ba2/Sr4 | 8/8 | 2.858 | 0.011 | 1.76 | 2.722 | 0.033 | 1.73 | 0 | |
| Ba3/Sr2 | 11/11 | 3.050 | 0.089 | 1.72 | 2.987 | 0.177 | 1.57 | 4 | |
| Ba4/Sr1 | 10/10 | 2.961 | 0.038 | 1.87 | 2.891 | 0.121 | 1.75 | 2 | |
| 97.5% BVS | Ba1/Sr3 | 8/8 | 2.855 | 0.027 | 1.86 | 2.744 | 0.091 | 1.89 | 3 |
| Ba2/Sr4 | 8/8 | 2.858 | 0.011 | 1.76 | 2.722 | 0.033 | 1.73 | 0 | |
| Ba3/Sr2 | 9/9 | 2.925 | 0.012 | 1.66 | 2.818 | 0.043 | 1.54 | 1 | |
| Ba4/Sr1a | 10/9 | 2.961 | 0.038 | 1.87 | 2.812 | 0.121 | 1.73 | 2 | |
For Sr1, the standard deviation is calculated over the 10 bond distances equivalent to that of Ba4. The final column gives the number of bond lengths that are longer for A = Sr.