Synthesis and crystal structure analysis of titanium bismuthide oxide, Ti8BiO7

• A novel bismuthide oxide containing titanium, Ti8BiO7, was synthesized.
• Single crystals of Ti8BiO7 were grown by heating a mixture of Ti and Bi2O3.
• Single crystal X-ray diffraction revealed that Ti8BiO7 has a new structure type.
• O atoms and Bi atoms are surrounded by Ti atoms in the structure.
• Metallic conduction of Ti8BiO7 was exhibited.

Silver metallic luster columnar single crystals of a novel compound, Ti8BiO7, were synthesized using a bismuth flux. Ti8BiO7 having a new structure type crystallizes in an orthorhombic cell, a = 7.8473(4) Å, b = 16.8295(10) Å, c = 3.0256(2) Å, space group: Cmmm. The Ti atoms enter the sites of isosceles-triangle 3-fold and rectangular 4-fold coordination of O atoms and the site of octahedral 6-fold coordination of O and Bi atoms. O atoms are in the rectangles, tetrahedra, and orthogonal pyramids of Ti atoms. The electrical resistivity measured for a Ti8BiO7 single crystal in the c-axis direction was 6.2 × 10−7 Ωm at 300 K and 1.3 × 10−7 Ωm at 10 K.

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