Stoyanov Emil, Leinenweber Kurt, Groy Thomas L, Malik Abds-Sami
Sandvik Hyperion, 6325 Huntley Road, Worthington, OH 43085, USA.
Eyring Materials Center, Arizona State University, Tempe, AZ 85287-1604, USA.
Acta Crystallogr E Crystallogr Commun. 2018 Jun 26;74(Pt 7):1010-1012. doi: 10.1107/S2056989018008988. eCollection 2018 Jul 1.
Single crystals of a GeO-TiO solid solution with the corresponding composition GeTiO (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 4/), where Ge and Ti share the same position (site symmetry ), with occupancy values of 0.57 (3) and 0.43 (3), respectively, and one O-atom position (.2). The site is in a sixfold O-atom coordination and, as in the original TiO rutile structure, an elongation of the O--O bonds along the -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.
通过在高压和高温下对锗钛玻璃进行析晶，获得了具有相应组成GeTiO（锗钛四氧化物）的GeO-TiO固溶体单晶。这种新化合物以金红石结构类型（空间群4/）结晶，其中Ge和Ti占据相同位置（位点对称性），占有率分别为0.57 (3) 和0.43 (3)，还有一个O原子位置（.2）。该位点处于六重O原子配位中，并且与原始TiO金红石结构一样，配位多面体的O—O键沿轴方向伸长以及角度偏离90°导致配位对称性从八面体降低到四方。Ge和Ti原子在结构中完全无序，这表明考虑到两种阳离子大小不同，金红石结构出奇地柔韧。
