Crystal structure of Ti8Bi9O0.25 containing interstitial oxygen atoms

Abstract

Single crystals of Ti8Bi9O0.25, titanium bismuth oxide (8/9/0.25), were obtained from a sample prepared by heating a mixture of Ti, TiO2 and Bi powders in an Ar atmosphere. Single-crystal X-ray analysis revealed that the introduction of O atoms into the structure of Ti8Bi9 retains the space-group type P4/nmm. The oxygen site is located within a Ti4 tetrahedron (point group symmetry \overline{4}m2) that is vacant in the Ti8Bi9 crystal structure. The occupancy of this site is 0.25 (4), and the O—Ti distance is 1.8824 (11) Å.