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

ABSTRACT: Single crystals of a GeO2-TiO2 solid solution with the corresponding composition Ge0.57Ti0.43O2 (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

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Ge<sub>0.57</sub>Ti<sub>0.43</sub>O<sub>2</sub>: a new high-pressure material with rutile-type crystal structure.

Stoyanov Emil E   Leinenweber Kurt K   Groy Thomas L TL   Malik Abds-Sami AS  

Acta crystallographica. Section E, Crystallographic communications 20180626 Pt 7

Single crystals of a GeO<sub>2</sub>-TiO<sub>2</sub> solid solution with the corresponding composition Ge<sub>0.57</sub>Ti<sub>0.43</sub>O<sub>2</sub> (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 <i>P</i>4<sub>2</sub>/<i>mnm</i>), where Ge and Ti share the same position <i>M</i> (site symmetry <i>m.mm</i>), with occupancy values of 0.57 (3) and  ...[more]

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