N | Atom | x | y | z | Dist. | D1 | D2 | SAng. |
1 | O_3 | 0.5000 | 0.6650 | 0.2500 | 2.01432 | 1.32578 | 0.68854 | 16.17405 |
2 | O_1 | 0.5000 | 0.5000 | 0.0000 | 2.07956 | 1.32578 | 0.75379 | 17.38460 |
3 | O_1 | 0.5000 | 0.5000 | 0.5000 | 2.07956 | 1.32578 | 0.75379 | 17.38460 |
4 | O_4 | 0.8180 | 0.5240 | 0.2500 | 2.28335 | 1.32578 | 0.95758 | 12.81750 |
5 | O_4 | 0.1820 | 0.5240 | 0.2500 | 2.28335 | 1.32578 | 0.95758 | 12.81750 |
6 | O_5 | 0.6810 | 0.3120 | 0.2500 | 2.39600 | 1.32578 | 1.07022 | 11.71087 |
7 | O_5 | 0.3190 | 0.3120 | 0.2500 | 2.39600 | 1.32578 | 1.07022 | 11.71087 |
N | Atom | x | y | z | Dist. | D1 | D2 | SAng. |
1 | O_2 | 0.0000 | 0.3520 | 0.0230 | 1.88492 | 1.28807 | 0.59685 | 19.49780 |
2 | O_2 | 0.0000 | 0.3520 | 0.4770 | 1.88492 | 1.28807 | 0.59685 | 19.49780 |
3 | O_3 | 0.0000 | 0.1650 | 0.2500 | 2.11732 | 1.28807 | 0.82926 | 14.90743 |
4 | O_5 | 0.3190 | 0.3120 | 0.2500 | 2.29657 | 1.28807 | 1.00850 | 12.20241 |
5 | O_5 | -0.3190 | 0.3120 | 0.2500 | 2.29657 | 1.28807 | 1.00850 | 12.20241 |
6 | O_4 | 0.1820 | 0.5240 | 0.2500 | 2.37087 | 1.28807 | 1.08280 | 10.84607 |
7 | O_4 | -0.1820 | 0.5240 | 0.2500 | 2.37087 | 1.28807 | 1.08280 | 10.84607 |
N | Atom | x | y | z | Dist. | D1 | D2 | SAng. |
1 | O_5 | 0.6810 | 0.3120 | 0.2500 | 2.08645 | 1.34984 | 0.73660 | 17.93186 |
2 | O_5 | 0.3190 | 0.3120 | 0.2500 | 2.08645 | 1.34984 | 0.73660 | 17.93186 |
3 | O_4 | 0.6820 | 0.0240 | 0.2500 | 2.09079 | 1.34984 | 0.74095 | 16.80713 |
4 | O_4 | 0.3180 | 0.0240 | 0.2500 | 2.09079 | 1.34984 | 0.74095 | 16.80713 |
5 | O_2 | 0.5000 | 0.1480 | -0.0230 | 2.27825 | 1.34984 | 0.92840 | 15.26102 |
6 | O_2 | 0.5000 | 0.1480 | 0.5230 | 2.27825 | 1.34984 | 0.92840 | 15.26102 |