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Solid Sulfur Allotropes 25 Fig. 6 Nearest intermolecular contacts in orthorhombic S8 below 370 pm (distances in pm) [8] Table 6 Structure parameters of a-S8 at about 300 K (standard deviations i parentheses). There are 16(4) molecules per unit (primitive) cell [80] Crystal space group Site symmetry of molecule Lattice constants a (pm) b (pm) c (pm) FdddD2h24 (no. 70) 2C2 1046.46(1) 1286.60(1) 2448.60(3) Numbers of and shortest intermolecular distances per molecule <380 pm (pm) 2 337.4 4 350.4 4 370.4 2 377.3 equivalent atoms of the S8 molecule have 12 intermolecular contacts shorter than 370 pm (Fig. 6). The crystal structure data are summarized in Table 6. The molecular distortion from a perfect D4d symmetry was discussed by Pawley, Rinaldi and Kurittu by means of a constrained refinement of experi- mental data and by theoretical calculations which made use of intermolecu- lar and intramolecular force fields available at that time [84, 85].PDF Image | Topics in Current Chemistry
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