Abstract

Single crystals of Ti8Bi9O0.25, titanium bis-muth 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 tetra-hedron (point group symmetry 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.

Highlights

  • 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

  • The oxygen site is located within a Ti4 tetrahedron that is vacant in the Ti8Bi9 crystal structure

  • The crystal structure of Ti8Bi9, having the tetragonal space group P4/nmm, a = 10.277 (1) A, c = 7.375 (1) A, Z = 2, was determined by Richter and Jeitschko (1997). This compound was identified in Ti–Bi binary phase diagrams (Okamoto, 2010, 2015), and was confirmed by powder X-ray diffraction (PXRD) in a study of the Ti–Bi phase diagram (Maruyama et al, 2013)

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Summary

Chemical context

The crystal structure of Ti8Bi9, having the tetragonal space group P4/nmm, a = 10.277 (1) A , c = 7.375 (1) A , Z = 2, was determined by Richter and Jeitschko (1997). This compound was identified in Ti–Bi binary phase diagrams (Okamoto, 2010, 2015), and was confirmed by powder X-ray diffraction (PXRD) in a study of the Ti–Bi phase diagram (Maruyama et al, 2013). Details of single-crystal growth of Ti8Bi9O0.25 and its comparison with the crystal structure of Ti8Bi9 (Richter & Jeitschko, 1997) are reported

Structural commentary
Synthesis and crystallization
Findings
Refinement
Full Text
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