A Structural Study of the Perovskite Series CaTi1−2xFexNbxO3

Octahedral Tilting and Cation Ordering in Perovskite-Like Ca4Nb2O9=3•Ca(Ca1/3Nb2/3)O3 Polymorphs

“…corresponding angles in CaTiO (2,18). This signi"cant increase in the degree of octahedral tilting is consistent with the larger deviation from unity of the tolerance factor for Ca Nb O (t !…”

Phonons and static dielectric constant inCaTiO3from first principles

“…In Table I(A), we report the weighted average of the four structure refinements tabulated in Ref. [26]. Secondly, there is the structure obtained by fixing the cell parameters at the experimental value and performing a first-principles ionic relaxation; these parameters are shown in Table I(B).…”

The Thermal Stability of (CaTiO<sub>3</sub>)1-x (Cr<sub>3/4</sub>Fe<sub>5/4</sub>O<sub>3</sub>)<sub>x</sub> Ceramic Composites in the Microwave Region

“…According to the XRD results, there are well defined two-phased ceramic composites combining CaTiO 3 (perovskite structure) and a Cr 3 / 4Fe 5 /4O 3 (hematite structure), both indexed in the Inorganic Crystal Structure Database (ICSD) [18] under the codes 163,528 and 163,943, respectively. The Rietveld refinement of CTO was carried out based on a reference model [19]. The CTO present, at room temperature, orthorhombic structure belonging to the spatial group (#62), with four molecules per unity cell (Z = 4).…”