Table 3. Refined atomic coordinates and ADPs (×10−2 Å2) for sample L2. * U23 of O3 was fixed during refinement.
| Site | x | y | z | U11 | U22 | U33 | U12 | U13 | U23 | Ueq |
|---|---|---|---|---|---|---|---|---|---|---|
| La1 (4f) | 1/3 | 2/3 | −0.0012(3) | 0.71(5) | U11 | 1.97(5) | U11/2 | 0 | 0 | 1.13(5) |
| La2 (6 h) | 0.0127(1) | 0.2411(1) | 1/4 | 0.41(4) | 0.80(4) | 0.69(2) | 0.22(4) | 0 | 0 | 0.67(3) |
| Si (6 h) | 0.4027(5) | 0.3727(4) | 1/4 | 1.1(2) | 0.6(2) | 0.4(1) | 0.5(1) | 0 | 0 | 0.7(2) |
| O1 (6 h) | 0.325(1) | 0.484(1) | 1/4 | 1.9(5) | 4.2(7) | 0.8(5) | 2.6(5) | 0 | 0 | 1.9(5) |
| O2 (6 h) | 0.591(1) | 0.471(1) | 1/4 | 1.8(5) | 0.7(4) | 1.2(5) | 0.6(4) | 0 | 0 | 1.3(4) |
| O3 (12i) | 0.3459(8) | 0.2578(7) | 0.0730(7) | 6.2(5) | 2.6(4) | 1.6(4) | 2.7(4) | −1.9(3) | −0.3* | 3.3(4) |
| O4 (2a) | 0 | 0 | 1/4 | 0.9(7) | U11 | 25(2) | U11/2 | 0 | 0 | 9(1) |