Ge0.57Ti0.43O2: a new high-pressure material with rutile-type crystal structure

Acta Crystallographica Section E: Crystallographic Communications

Leinenweber, K.¹  Stoyanov, E.²  Groy, T.L.³ 

[1]Eyring Materials Center, Arizona State University, Tempe, AZ 85287-1604, USA

[2]Sandvik Hyperion, 6325 Huntley Road, Worthington, OH 43085, USA

[3]School of Molecular Sciences, PSD-102 MS-871604, Arizona State University, Tempe, AZ 85287-1604, USA

关键词: TITANIA-GERMANIA;    SOLID SOLUTION;    RUTILE STRUCTURE;    HIGH PRESSURE;    HIGH TEMPERATURE;    CRYSTAL STRUCTURE;   

DOI  :  10.1107/S2056989018008988

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

Single crystals of a GeO2–TiO2 solid solution with the corresponding composition Ge0.57Ti0.43O2 (germanium titanium tetra­oxide) were obtained by devitrification of germania-titania glass at high pressure and temperature. The new compound crystallizes in the rutile structure type (space group P42/mnm), where Ge and Ti share the same position M (site symmetry m.mm), with occupancy values of 0.57 (3) and 0.43 (3), respectively, and one O-atom position (m.2m). The M site is in a sixfold O-atom coordination and, as in the original TiO2 rutile structure, an elongation of the O—M—O bonds along the c-axis direction of the coordination polyhedron and deviation of the angles from 90° lead to a decrease in the coordination symmetry from octa­hedral to tetra­gonal. The Ge and Ti atoms are fully disordered in the structure, which indicates that the rutile structure is surprisingly pliant given the differing sizes of the two cations.

【 授权许可】

CC BY