| x | y | z | Uiso*/Ueq | ||
| O1 | 0.2256 (3) | 0.9740 (2) | 0.49706 (10) | 0.0671 (8) | |
| O2 | 0.0048 (2) | 0.88776 (19) | 0.45072 (9) | 0.0665 (8) | |
| O3 | 0.3342 (3) | 0.54490 (19) | 0.34035 (9) | 0.0677 (8) | |
| O4 | 0.3190 (4) | 0.6303 (3) | 0.24740 (11) | 0.1057 (13) | |
| C1 | 0.2878 (3) | 0.8175 (3) | 0.42969 (12) | 0.0500 (9) | |
| C2 | 0.2399 (3) | 0.7163 (3) | 0.39650 (12) | 0.0523 (10) | |
| C3 | 0.3732 (4) | 0.6518 (3) | 0.36983 (12) | 0.0547 (10) | |
| C4 | 0.5439 (4) | 0.6833 (3) | 0.37411 (13) | 0.0659 (13) | |
| C5 | 0.5868 (4) | 0.7823 (3) | 0.40696 (14) | 0.0658 (11) | |
| C6 | 0.4601 (3) | 0.8482 (3) | 0.43437 (13) | 0.0565 (10) | |
| C7 | 0.1608 (4) | 0.8942 (3) | 0.45996 (12) | 0.0534 (10) | |
| C8 | 0.0586 (4) | 0.6754 (3) | 0.38841 (14) | 0.0688 (11) | |
| C9 | 0.3081 (4) | 0.5436 (4) | 0.27810 (16) | 0.0690 (14) | |
| C10 | 0.2636 (5) | 0.4254 (3) | 0.25496 (17) | 0.0927 (17) | |
| H1 | 0.141 (6) | 1.022 (4) | 0.514 (2) | 0.139 (18)* | |
| H4 | 0.62880 | 0.63780 | 0.35490 | 0.0790* | |
| H5 | 0.70160 | 0.80480 | 0.41070 | 0.0790* | |
| H6 | 0.49030 | 0.91550 | 0.45680 | 0.0680* | |
| H8A | 0.00260 | 0.72250 | 0.35680 | 0.1030* | |
| H8B | −0.00190 | 0.68300 | 0.42770 | 0.1030* | |
| H8C | 0.05830 | 0.59430 | 0.37540 | 0.1030* | |
| H10A | 0.23420 | 0.42970 | 0.21100 | 0.1390* | |
| H10B | 0.16700 | 0.39560 | 0.27840 | 0.1390* | |
| H10C | 0.36050 | 0.37380 | 0.26040 | 0.1390* |