x | y | z | U11 | U22 | U33 | U23 | U13 | U12 | |
O1 | 0.6120 (2) | 0.23565 (19) | 0.81538 (17) | 0.0794 (14) | 0.0611 (12) | 0.0475 (12) | 0.0134 (10) | −0.0083 (10) | −0.0118 (10) |
O2 | 0.36879 (18) | 0.0421 (2) | 0.60740 (14) | 0.0477 (10) | 0.0435 (11) | 0.0545 (11) | 0.0061 (9) | 0.0017 (8) | −0.0011 (9) |
O3 | 0.53124 (18) | 0.20801 (15) | 0.49461 (12) | 0.0787 (12) | 0.0440 (10) | 0.0434 (10) | 0.0106 (8) | 0.0179 (8) | 0.0030 (8) |
O4 | 0.30057 (19) | −0.21099 (18) | 0.96169 (14) | 0.0603 (12) | 0.0710 (12) | 0.0572 (11) | 0.0229 (9) | 0.0109 (9) | −0.0081 (9) |
O5 | 0.5371 (2) | −0.34443 (17) | 0.94371 (14) | 0.0761 (13) | 0.0565 (11) | 0.0658 (12) | 0.0278 (9) | 0.0028 (10) | −0.0003 (10) |
O6 | −0.1251 (3) | 0.5089 (3) | 0.6447 (2) | 0.0814 (18) | 0.181 (3) | 0.134 (2) | 0.043 (2) | 0.0021 (16) | 0.0539 (18) |
O7 | −0.0249 (3) | 0.6177 (3) | 0.7944 (3) | 0.0937 (19) | 0.114 (2) | 0.154 (3) | −0.0142 (19) | 0.0383 (17) | 0.0309 (16) |
N1 | −0.0210 (3) | 0.5385 (3) | 0.7069 (3) | 0.078 (2) | 0.082 (2) | 0.107 (2) | 0.0345 (18) | 0.0209 (18) | 0.0207 (17) |
C1 | 0.4955 (3) | 0.1416 (2) | 0.77417 (19) | 0.0510 (15) | 0.0450 (14) | 0.0457 (14) | 0.0097 (11) | 0.0051 (11) | −0.0020 (12) |
C2 | 0.4969 (2) | 0.1182 (2) | 0.65100 (18) | 0.0417 (13) | 0.0407 (13) | 0.0436 (14) | 0.0080 (11) | 0.0045 (10) | 0.0013 (11) |
C3 | 0.5055 (2) | 0.2514 (2) | 0.60727 (18) | 0.0509 (15) | 0.0418 (13) | 0.0409 (14) | 0.0064 (11) | 0.0052 (11) | −0.0022 (11) |
C4 | 0.5069 (3) | 0.0076 (2) | 0.81300 (17) | 0.0508 (15) | 0.0491 (14) | 0.0364 (13) | 0.0089 (11) | 0.0028 (11) | 0.0009 (12) |
C5 | 0.3935 (3) | −0.0399 (2) | 0.86605 (18) | 0.0478 (14) | 0.0513 (14) | 0.0377 (13) | 0.0083 (11) | 0.0040 (11) | 0.0023 (11) |
C6 | 0.4059 (3) | −0.1582 (2) | 0.90683 (18) | 0.0522 (15) | 0.0541 (15) | 0.0349 (13) | 0.0086 (11) | 0.0038 (11) | −0.0083 (13) |
C7 | 0.5334 (3) | −0.2320 (2) | 0.89612 (18) | 0.0613 (17) | 0.0430 (14) | 0.0412 (14) | 0.0106 (11) | −0.0011 (12) | −0.0034 (12) |
C8 | 0.6445 (3) | −0.1885 (3) | 0.8414 (2) | 0.0548 (16) | 0.0557 (16) | 0.0587 (16) | 0.0169 (13) | 0.0057 (13) | 0.0079 (13) |
C9 | 0.6302 (3) | −0.0691 (3) | 0.8001 (2) | 0.0533 (16) | 0.0587 (16) | 0.0580 (16) | 0.0227 (13) | 0.0151 (12) | 0.0021 (13) |
C10 | 0.1663 (3) | −0.1405 (3) | 0.9743 (2) | 0.0593 (19) | 0.109 (2) | 0.069 (2) | 0.0317 (18) | 0.0157 (15) | −0.0071 (18) |
C11 | 0.6712 (3) | −0.4123 (3) | 0.9493 (3) | 0.085 (2) | 0.0691 (19) | 0.099 (2) | 0.0404 (18) | −0.0097 (18) | 0.0076 (17) |
C12 | 0.3714 (3) | 0.3352 (2) | 0.62752 (18) | 0.0566 (15) | 0.0383 (13) | 0.0431 (14) | 0.0122 (11) | 0.0051 (11) | 0.0008 (11) |
C13 | 0.2505 (3) | 0.3101 (3) | 0.5557 (2) | 0.0708 (18) | 0.0520 (15) | 0.0476 (15) | 0.0109 (12) | −0.0013 (13) | 0.0081 (14) |
C14 | 0.1236 (3) | 0.3791 (3) | 0.5810 (2) | 0.0624 (18) | 0.0700 (19) | 0.0663 (19) | 0.0229 (16) | −0.0057 (14) | 0.0102 (15) |
C15 | 0.1182 (3) | 0.4722 (3) | 0.6767 (2) | 0.0595 (18) | 0.0565 (17) | 0.076 (2) | 0.0273 (15) | 0.0160 (15) | 0.0183 (14) |
C16 | 0.2352 (3) | 0.5030 (3) | 0.7482 (2) | 0.076 (2) | 0.0447 (15) | 0.0626 (18) | 0.0056 (13) | 0.0171 (15) | 0.0111 (14) |
C17 | 0.3622 (3) | 0.4345 (2) | 0.7223 (2) | 0.0620 (17) | 0.0441 (14) | 0.0532 (16) | 0.0052 (12) | 0.0006 (12) | 0.0011 (13) |
C18 | 0.5765 (4) | 0.3155 (3) | 0.4431 (2) | 0.120 (3) | 0.0597 (18) | 0.0667 (19) | 0.0247 (15) | 0.0331 (18) | 0.0003 (17) |
C19 | 0.9596 (3) | 0.9382 (3) | 0.3274 (2) | 0.0501 (16) | 0.102 (2) | 0.0696 (19) | 0.0283 (17) | 0.0043 (14) | −0.0037 (16) |
Cl1 | 1.11226 (8) | 0.89769 (11) | 0.40021 (8) | 0.0561 (5) | 0.1662 (9) | 0.1054 (7) | 0.0613 (6) | −0.0027 (4) | 0.0031 (5) |
Cl2 | 0.94001 (10) | 0.82527 (10) | 0.20156 (7) | 0.0989 (7) | 0.1206 (7) | 0.0786 (6) | 0.0141 (5) | 0.0146 (5) | 0.0067 (6) |
Cl3 | 0.97372 (11) | 1.10876 (10) | 0.31141 (8) | 0.1141 (8) | 0.1031 (7) | 0.1045 (7) | 0.0405 (6) | −0.0134 (5) | −0.0159 (6) |