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Figure 2
L and T tensors obtained from a rigid-body analysis for (Ia) at 110 K and (Ib) at 250 K. Views along the crystallographic b axis (same perspective as in Fig. 1[link]). The eigenvalues of the L tensor are 3.24, 1.84 and 1.82 degree2 for (Ia), and 7.20, 4.91 and 3.20 degree2 for (Ib). The eigenvalues of the T tensor are 0.02309, 0.01048 and 0.00954 Å2 for (Ia), and 0.05150, 0.02877 and 0.02329 Å2 for (Ib). The eigenvectors L1 are in the ac plane and have angles to a of 57.93 and 74.25° for (Ia) and (Ib), respectively. The eigenvectors T1 are also in the ac plane and have angles to a of 7.45 and 7.72° for (Ia) and (Ib), respectively. The S tensors in (Ia) and (Ib) are (−0.00092, 0, 0.00037 / 0, 0.00079, 0 / 0.00049, 0, 0.00013) and (−0.00136, 0, 0.00055 / 0, 0.00152, 0 / 0.00090, 0, −0.00016) rad-Å.

Journal logoSTRUCTURAL
CHEMISTRY
ISSN: 2053-2296
Volume 65| Part 2| January 2009| Pages m69-m74
doi:10.1107/S0108270108043242
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