A commensurately modulated structure of parabutlerite, FeIIISO4(OH)·2H2O
Status PubMed-not-MEDLINE Jazyk angličtina Země Velká Británie, Anglie Médium print-electronic
Typ dokumentu časopisecké články
Grantová podpora
17-09161S
This research was supported through the project No. 17-09161S of the grant agency of the Czech Republic.
PubMed
28980989
DOI
10.1107/s2052520617007156
PII: S2052520617007156
Knihovny.cz E-zdroje
- Klíčová slova
- commensurate, ferric sulfate hydrate, modulated structure, parabutlerite,
- Publikační typ
- časopisecké články MeSH
Parabutlerite, orthorhombic FeIIISO4(OH)·2H2O, has been reinvestigated using single-crystal X-ray diffraction. The structure of parabutlerite is commensurately modulated, with a = 20.0789 (8), b = 7.4024 (7), c = 7.2294 (15) Å and q = 0.4b*. The superstructure has been determined, using a superspace approach, as having the superspace group Pnma(0β0)s0s and t0 = 1/20, and refined to R = 0.0295 for 2392 main reflections with I > 3σ(I). The structure consists of infinite chains of Fe octahedra that are linked via vertices (OH groups); these chains are encased from both sides by SO4 tetrahedra. The displacive modulation of atoms in parabutlerite is connected with a tilt of the chains around the b axis towards the adjacent chains due to the accommodation of an energetically more favorable hydrogen-bond geometry.
Institut für Geowissenschaften Friedrich Schiller Universität Jena Burgweg 11 Jena 07749 Germany
Institute of Physics ASCR v v i Na Slovance 2 Praha 8 18221 Czech Republic
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