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Synthesis and Crystal Structure of Cs 2 U 2 (P 2 Se 9 )(Se 2 ) 2
Author(s) -
Mesbah Adel,
Prakash Jai,
Beard Jessica C.,
Lebègue Sébastien,
Ibers James A.
Publication year - 2018
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201800263
Subject(s) - isostructural , orthorhombic crystal system , crystallography , crystal structure , space group , x ray crystallography , single crystal , ferromagnetism , chemistry , materials science , diffraction , physics , condensed matter physics , optics
Black single crystals of Cs 2 U 2 (P 2 Se 9 )(Se 2 ) 2 were synthesized at 1023 K by a solid‐state reaction. Its structure was determined by single‐crystal X‐ray diffraction methods. The compound is isostructural with Rb 2 U 2 (P 2 Se 9 )(Se 2 ) 2 and Cs 2 Th 2 (P 2 Se 9 )(Se 2 ) 2 compounds, and crystallizes in the orthorhombic space group Pbca . Cs 2 U 2 (P 2 Se 9 )(Se 2 ) 2 displays a three‐dimensional structure comprising USe 9 polyhedra connected via the Se 2 2– and P 2 Se 9 species with channels filled by Cs atoms. From electronic structure calculations the compound is found to be a metal with a ferromagnetic arrangement of the magnetic moments.