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S4N3Cl晶体属单斜晶系,空间群是C2h5-P 21/n。晶胞常数是:a=19.33 A,b=10.48 A,c=9.19 A,β 9 0°,晶胞中含有十二个 S4N3CI。值得注意的是,h不等于三的整倍数的(hk0)衍射点都是很弱的(有的甚至还看不见)。因而,在这个晶体中可以选取如下的一个准六方素晶胞:a'=b' 6.2A,c=9.39A,r=120°我们也注意到,k为奇数的(0kl)衍射点是很弱的,因此,S4N3+离子在(100)平面的投影上存在着以Z=1/4,3/4为准镜线的对称排列.另一方面,(6 0 2 )和(6 0 2 )在整个(h0l)衍射点中强度最大,比(6 0 0)还略为 强些,(6,0,10 )也显著地强;这反映出S4 N3+ 可能具有平面构型,排列在大体平行于(010)的平面上。在这些有趣的观察的基础上,我们提出了基于下列十二重点系的初步原子参数:±(x,y,z),±(1/2+x), ;然后逐步放松了对那些在化学上是等效的但在结晶不上是不等效的原子在参数上的严格限制。经过多次的修正和逼近,最后得到如下结果:S+N3+离子是一个平面的七节杯,和Weiss在S4N3NO3晶体结构中所定出的构型是
The crystals of S4N3Cl are monoclinic and the space group is C2h5-P21 / n. The unit cell constants are: a = 19.33 A, b = 10.48 A, c = 9.19 A, β 9 0 °, and the unit cell contains twelve S4N3CI. It is worth noting that the (hk0) diffraction point for h, which is not an integral multiple of three, is weak (and some are even not visible). Thus, a quasi-hexagonal unit cell may be selected in this crystal as follows: a ’= b’ 6.2A, c = 9.39A, r = 120 ° We also noticed that k is an odd (0kl) diffraction point Is very weak. Therefore, the symmetry arrangement of the S4N3 + ions on the (100) plane with Z = 1 / 4,3 / 4 as the mirror line exists. On the other hand, (6 0 2) and (6 0 2) have the highest intensity at the (h 0 l) diffraction point, slightly stronger than (600) and (6,0,10) Reflecting that S4 N3 + may have a planar configuration, align in a plane generally parallel to (010). Based on these interesting observations, we propose the initial atomic parameters based on the following twelve key systems: ± (x, y, z), ± (1/2 + x); and then gradually relax for those that are chemically Equivalent but not crystalline is not equivalent to the atoms in the parameters of the strict restrictions. After several corrections and approximations, the following results are obtained: S + N3 + ions are a planar seven-cup and the Weiss configuration in the S4N3NO3 crystal structure is