期刊
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS
卷 78, 期 -, 页码 734-744出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2052520622007375
关键词
polytypism; 1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene; disorder; diffuse scattering
资金
- Free State of Bavaria's 'Programme to Realize Equal Opportunities for Women in Research and Teaching' in the University of Regensburg
- PETRA III at DESY, a member of the Helmholtz Association (HGF) [I-20191087, I-20210292]
1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene crystallizes as polytypes with adjacent layers related by either c- or an nglide reflection. The crystal exhibits stacking disorder and can be described as a disordered analogue of Pca2(1) or Pna2(1) polytypes.
1,3-di(tert-butyl)cyclopentadienyl pentaphosphaferrocene (Cp '' FeP5) crystallizes as polytypes, where adjacent layers are related by either a c- or an nglide reflection. In the simplest possible polytypes only one kind of glide reflections is realized, leading to overall Pca2(1) or Pna2(1) symmetry respectively. Crystals isolated from the same crystallization experiment feature a varying degree of stacking disorder. One-dimensional diffuse scattering of a crystal with particularly strong disorder was modelled with closed-form expressions derived from a growth model. A range of interaction of s = 2 was necessary to satisfactorily describe the observed diffraction intensities. The crystal can be described as a disordered analogue of an allotwin, that is an intergrowth of the Pca2(1) or Pna2(1) polytypes with a distinct preference for the former.
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