Crystal structure of a large cubic tin monosulfide polymorph: an unraveled puzzle
Crystal structure of a large cubic tin monosulfide polymorph: an unraveled puzzle
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DOI：
10.1039/c6ce00647g
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发表时间：
2016-01-01
期刊：
影响因子：
3.1
通讯作者：
Golan, Y.
中科院分区：
文献类型：
--
作者：
Abutbul, R. E.;Garcia-Angelmo, A. R.;Golan, Y.
我们在硫化锡（SnS）薄膜中观察到64个原子在晶格常数为11.6埃的简单立方晶胞晶体结构中的原子排列。在含有氯化锡（II）和硫乙酰胺的化学浴中，在17℃下沉积260或550nm厚度的薄膜。这些薄膜的x射线衍射（XRD）图与制备时晶格常数为11.600 +/- 0.025埃或400℃加热后晶格常数为11.603 +/- 0.007埃的简单立方结构相一致。最近发现的“pi-SnS”结构采用了以前的报道，使用目前新获得的实验数据来获得原子位置。这种结构分配解开了由某些化学途径制备的某些SnS薄膜和纳米晶体的XRD模式与先前分配给它们的锌闪锌矿，岩盐或伪四方结构之间的不一致所引起的谜团。除了作为稳定的太阳能电池材料的相关性外，还讨论了由于缺乏中心对称性而产生的这种SnS多晶的显著特征。
We present the atomic arrangement of 64 atoms within a simple cubic unit cell crystalline structure of lattice constant 11.6 angstrom, observed in tin sulfide (SnS) thin films. Thin films of 260 or 550 nm in thickness were deposited at 17 degrees C from a chemical bath containing tin(II) chloride and thioacetamide. The X-ray diffraction (XRD) patterns of these thin films are consistent with those of a simple cubic structure of lattice constant 11.600 +/- 0.025 angstrom(as-prepared) or 11.603 +/- 0.007 angstrom(after 400 degrees C heating). The said recently discovered "pi-SnS" structure was adopted from previous reports, using the present, newly acquired experimental data to obtain the atomic positions. This structural assignment unravels a puzzle originated by inconsistencies among the XRD patterns of some SnS thin films and nanocrystals prepared via certain chemical routes, and the zinc blende, rock salt or pseudo-tetragonal structures previously assigned to them. In addition to its relevance as a stable solar cell material, salient features of this SnS polymorph arising from its lack of centro-symmetry are discussed.