| x | y | z | Uiso*/Ueq | ||
| Si1 | 0.74622 (2) | 0.28841 (2) | 0.75077 (2) | 0.01509 (6) | |
| O1 | 0.93162 (5) | 0.25935 (5) | 0.85344 (5) | 0.02192 (14) | |
| O2 | 0.66166 (7) | 0.30739 (6) | 0.89526 (5) | 0.02813 (17) | |
| O3 | 0.72770 (6) | 0.45724 (6) | 0.65291 (5) | 0.02471 (15) | |
| O4 | 0.68036 (6) | 0.15675 (7) | 0.61688 (6) | 0.03055 (19) | |
| C1 | 0.86791 (7) | 0.32761 (7) | 0.81134 (6) | 0.01724 (16) | |
| C2 | 0.90373 (7) | 0.41431 (7) | 0.82338 (7) | 0.02177 (18) | |
| H2 | 0.871274 | 0.469549 | 0.798507 | 0.026* | |
| C3 | 1.00352 (8) | 0.41171 (8) | 0.88241 (7) | 0.0249 (2) | |
| H3A | 1.003889 | 0.437693 | 0.941784 | 0.030* | |
| H3B | 1.050636 | 0.446387 | 0.855916 | 0.030* | |
| C4 | 1.02411 (7) | 0.30597 (8) | 0.88647 (7) | 0.02419 (19) | |
| H4A | 1.070235 | 0.289812 | 0.849205 | 0.029* | |
| H4B | 1.052002 | 0.286370 | 0.948076 | 0.029* | |
| C5 | 0.67360 (7) | 0.24575 (7) | 0.82938 (6) | 0.01708 (16) | |
| C6 | 0.63131 (8) | 0.16312 (7) | 0.83393 (7) | 0.02348 (19) | |
| H6 | 0.630973 | 0.112660 | 0.793750 | 0.028* | |
| C7 | 0.58398 (9) | 0.16119 (7) | 0.91211 (8) | 0.0264 (2) | |
| H7A | 0.616413 | 0.116278 | 0.957809 | 0.032* | |
| H7B | 0.514695 | 0.144991 | 0.893973 | 0.032* | |
| C8 | 0.59827 (10) | 0.26230 (8) | 0.94469 (8) | 0.0310 (2) | |
| C9 | 0.67957 (7) | 0.39005 (7) | 0.69126 (6) | 0.01753 (16) | |
| C10 | 0.58506 (7) | 0.40639 (8) | 0.68000 (7) | 0.02276 (18) | |
| H10 | 0.540808 | 0.367188 | 0.701030 | 0.027* | |
| C11 | 0.55907 (8) | 0.49611 (8) | 0.62906 (8) | 0.0270 (2) | |
| H11A | 0.537713 | 0.544989 | 0.666015 | 0.032* | |
| H11B | 0.507913 | 0.485739 | 0.575246 | 0.032* | |
| C12 | 0.65508 (8) | 0.52240 (8) | 0.60570 (7) | 0.0257 (2) | |
| H12A | 0.649902 | 0.517179 | 0.541082 | 0.031* | |
| H12B | 0.672832 | 0.587780 | 0.623997 | 0.031* | |
| C13 | 0.76134 (7) | 0.19008 (7) | 0.67562 (6) | 0.01761 (16) | |
| C14 | 0.84148 (7) | 0.14317 (7) | 0.67128 (6) | 0.02059 (17) | |
| H14 | 0.903761 | 0.156174 | 0.706378 | 0.025* | |
| C15 | 0.81904 (8) | 0.06663 (8) | 0.60272 (7) | 0.02422 (19) | |
| H15A | 0.827125 | 0.003588 | 0.630249 | 0.029* | |
| H15B | 0.860033 | 0.071638 | 0.558782 | 0.029* | |
| C16 | 0.71307 (7) | 0.08715 (8) | 0.56085 (7) | 0.02435 (19) | |
| H16A | 0.706698 | 0.111915 | 0.500114 | 0.029* | |
| H16B | 0.674129 | 0.029137 | 0.557871 | 0.029* | |
| Si2 | 0.27704 (2) | 0.32421 (2) | 0.76377 (2) | 0.01562 (6) | |
| O5 | 0.09592 (6) | 0.28846 (5) | 0.65743 (5) | 0.02374 (15) | |
| O6 | 0.27220 (6) | 0.47644 (6) | 0.87285 (5) | 0.02643 (16) | |
| O7 | 0.21828 (7) | 0.14802 (6) | 0.81068 (5) | 0.03273 (19) | |
| O8 | 0.34396 (7) | 0.33545 (6) | 0.60778 (5) | 0.02971 (18) | |
| C17 | 0.15457 (7) | 0.35882 (6) | 0.70150 (6) | 0.01701 (16) | |
| C18 | 0.11405 (8) | 0.44363 (7) | 0.69027 (7) | 0.02251 (18) | |
| H18 | 0.143122 | 0.499966 | 0.716098 | 0.027* | |
| C19 | 0.01501 (8) | 0.43670 (7) | 0.63035 (7) | 0.02359 (19) | |
| H19A | 0.013165 | 0.466606 | 0.572297 | 0.028* | |
| H19B | −0.034782 | 0.465527 | 0.657760 | 0.028* | |
| C20 | 0.00210 (7) | 0.33032 (7) | 0.62152 (7) | 0.02269 (19) | |
| H20A | −0.045780 | 0.308461 | 0.654906 | 0.027* | |
| H20B | −0.020752 | 0.312609 | 0.558609 | 0.027* | |
| C21 | 0.33102 (7) | 0.42965 (7) | 0.82634 (6) | 0.01817 (16) | |
| C22 | 0.41603 (8) | 0.47116 (8) | 0.83225 (8) | 0.0262 (2) | |
| H22 | 0.465781 | 0.449003 | 0.805262 | 0.031* | |
| C23 | 0.42186 (8) | 0.55853 (8) | 0.88805 (9) | 0.0290 (2) | |
| C24 | 0.31965 (8) | 0.56474 (7) | 0.90322 (7) | 0.02153 (18) | |
| C25 | 0.26895 (7) | 0.22739 (7) | 0.84255 (6) | 0.01758 (16) | |
| C26 | 0.30693 (9) | 0.22394 (8) | 0.92899 (7) | 0.0288 (2) | |
| H26 | 0.343000 | 0.272690 | 0.962848 | 0.035* | |
| C27 | 0.28359 (12) | 0.13035 (9) | 0.96465 (8) | 0.0375 (3) | |
| C28 | 0.20576 (9) | 0.09462 (8) | 0.88849 (8) | 0.0285 (2) | |
| H28A | 0.213710 | 0.026545 | 0.879398 | 0.034* | |
| H28B | 0.140908 | 0.105698 | 0.900266 | 0.034* | |
| C29 | 0.34752 (7) | 0.28210 (7) | 0.68322 (6) | 0.01786 (16) | |
| C30 | 0.39575 (7) | 0.20199 (7) | 0.68338 (7) | 0.02305 (19) | |
| H30 | 0.406776 | 0.157557 | 0.730256 | 0.028* | |
| C31 | 0.43036 (8) | 0.19189 (8) | 0.59856 (8) | 0.0278 (2) | |
| C32 | 0.38774 (9) | 0.28001 (8) | 0.54776 (7) | 0.0271 (2) | |
| H32A | 0.439067 | 0.316510 | 0.528906 | 0.033* | |
| H32B | 0.338577 | 0.262374 | 0.494472 | 0.033* | |
| H23A | 0.4712 (13) | 0.5512 (12) | 0.9465 (11) | 0.041 (5)* | |
| H23B | 0.4341 (13) | 0.6133 (13) | 0.8545 (11) | 0.041 (4)* | |
| H8A | 0.6292 (14) | 0.2656 (14) | 1.0055 (13) | 0.052 (5)* | |
| H8B | 0.5353 (15) | 0.2977 (14) | 0.9324 (13) | 0.053 (5)* | |
| H27A | 0.3448 (15) | 0.0826 (15) | 0.9746 (13) | 0.059 (6)* | |
| H27B | 0.2664 (15) | 0.1338 (15) | 1.0187 (14) | 0.061 (6)* | |
| H31A | 0.5013 (13) | 0.1894 (13) | 0.6088 (11) | 0.040 (4)* | |
| H31B | 0.4046 (14) | 0.1348 (14) | 0.5651 (13) | 0.050 (5)* | |
| H24A | 0.3158 (10) | 0.5717 (11) | 0.9629 (10) | 0.024 (3)* | |
| H24B | 0.2840 (11) | 0.6143 (11) | 0.8672 (10) | 0.030 (4)* |