Ge_0.57Ti_0.43O₂: a new high-pressure material with rutile-type crystal structure.

ABSTRACT: Single crystals of a GeO₂-TiO₂ solid solution with the corresponding composition Ge_0.57Ti_0.43O₂ (germanium titanium tetra-oxide) 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 octa-hedral to tetra-gonal. 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.

SUBMITTER: Stoyanov E 

PROVIDER: S-EPMC6038645 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature