Cell parameters : a = 6.94802(7) Å,
b = 8.46618(8) Å,
c = 5.38904(6) Å
Cell volume,V (Å3) : 317.00
| Atom | x | y | z | B(iso) |
|---|---|---|---|---|
| Pb | 0.1671(1) | 0.1879(1) | 1/4 | - |
| S | 0.1848(3) | 0.4358(2) | 3/4 | 0.93(4) |
| O(1) | 0.0958(2) | 0.5907(1) | 3/4 | - |
| O(2) | 0.0429(2) | 0.3068(2) | 3/4 | - |
| O(3) | 0.3082(1) | 0.4192(1) | 0.9727(1) | - |
| Atom | B11 | B22 | B33 | B23 | B31 | B12 |
|---|---|---|---|---|---|---|
| Pb | 1.58(4) | 1.19(3) | 2.22(4) | 0 | 0 | 0.20(4) |
| O(1) | 2.11(6) | 1.43(6) | 2.95(7) | 0 | 0 | 0.81(4) |
| O(2) | 1.54(6) | 1.73(6) | 2.24(7) | 0 | 0 | -0.77(5) |
| O(3) | 1.60(4) | 1.77(4) | 1.36(4) | 0.07(3) | -0.40(3) | -0.18(4) |
Structural Parameters :
| Bonds Lengths | Value | Bonds Angles | Value | |
|---|---|---|---|---|
| S-O(1) | 1.450(2) Å | Ð O(1)-S-O(2) | 112.7(2)° | |
| S-O(2) | 1.471(3) Å | Ð O(1)-S-O(3) | 109.4(2)° | |
| S-O(3) | 1.482(2) Å | Ð O(1)-S-O(3)¢ | 109.4(2)° | |
| S-O(3)¢ | 1.482(2) Å | Ð O(2)-S-O(3) | 108.5(1)° | |
| Ð O(2)-S-O(3)¢ | 108.5(1)° | |||
| Ð O(3)-S-O(3)¢ | 108.2(2)° |