Dibarium tricadmium bismuthide(-I,-III) oxide, Ba2Cd3−δBi3O

Abstract

Ba2Cd2.13Bi3O, a new bismuthide(-I,-III) oxide, crystallizes with a novel body-centered tetragonal structure (Pearson code tI36). The crystal structure contains eight crystallographically unique sites in the asymmetric unit, all on special positions. Two Ba, one Cd and two Bi atoms have site symmetry 4mm, the third Bi atom has mmm. and the O atom has overline{4}m2 symmetry; the second Cd site (2mm. symmetry) is not fully occupied. The layered structure is complex and can be considered as an intergrowth of two types of slabs, viz. BaCdBiO with the ZrCuSiAs type and BaCd2Bi2 with the CeMg2Si2 type.