Crystal Growth and Structure Determination of Pigment Orange 82. Issue 6 (5th February 2019)

• Record Type: Journal Article
• Authors: Kaiser, Martin; Wosylus, Aron; Gerke, Birgit; Pöttgen, Rainer; Prokeš, Karel; Ruck, Michael; Doert, Thomas
• Is Part Of: Zeitschrift für anorganische und allgemeine Chemie. Volume 645:Issue 6/7(2019)
• Page Start: 564
• Page End: 569
• Publication Date: 2019-02-05
• Subjects: Pigment -- Keggin cluster -- Structure determination -- Neutron diffraction -- Mössbauer spectroscopy; Chemistry, Inorganic -- Periodicals; Chemistry -- Periodicals; 540
• DOI: 10.1002/zaac.201800499
• Languages: English
• ISSNs: 0044-2313

Abstract

Abstract : The crystal structure of the important industrial orange pigment PO82, major part of the BASF Colors & Effects ® product Sicopal ® Orange K/L 2430, was solved from combined X‐ray single crystal, X‐ray and neutron powder diffraction, 119 Sn Mössbauer spectroscopy, transmission electron microscopy, electron diffraction, and chemical analyses. The structure contains Keggin type clusters composed of four [ M 3 O13 ] trimers consisting each of three M O6 octahedra that share edges and one common oxygen atom connecting the trimers to the central ZnO4 tetrahedron. The octahedrally coordinated metal atom position is mixed occupied by Ti 4+, Sn 4+, and Zn 2+ . Adjacent Keggin clusters share vertices and are further interconnected to four ZnO4 tetrahedra. This framework of interconnected M O6 octahedra and ZnO4 tetrahedra contains channels along [110], in which the Sn 2+ cations are located. Abstract :