Structure and X-ray Powder Reference Patterns for Hexagonal Perovskite-Related Phases, (Sr0.8Ca0.2)5Co4O12 and Sr6Co5O15
Winnie K. Wong-Ng, James A. Kaduk, Guangyao Liu
Two selected members of the homologous series, An+2BBnO3n+3 (A= Sr, and Ca; B and B=Co) have been investigated for their crystal structure because of their potential applications as thermoelectric materials. A combined Rietveld refinement and a spin-polarized magnetic geometry optimization technique was employed for the structural studies. Both the n=3 member, (Sr0.8Ca0.2)5Co4O12, and the n=4 member, Sr6Co5O15, have distorted hexagonal perovskite related structures that possess one-dimensional cobalt oxide chains separated by alkaline-earth cations. The linear chains consist of one unit of CoO6 trigonal prism alternating with n units of CoO6 octahedra. Crystal structure and reference powder x-ray diffraction patterns of (Sr0.8Ca0.2)5Co4O11 (P3c1, a= 9.4196(2) Å, c=19.9857(6) Å, V=825.83 Å3, Dx = 5.358 g/cm3), and Sr6Co5O15 (R32, a= 9.49764(12) Å, c=12.3956(2) Å, V=968.34 Å3, Dx = 5.455 g/cm3) are reported.
, Kaduk, J.
and Liu, G.
Structure and X-ray Powder Reference Patterns for Hexagonal Perovskite-Related Phases, (Sr0.8Ca0.2)5Co4O12 and Sr6Co5O15, Journal of Solid State Chemistry, [online], https://doi.org/10.1154/1.3555294
(Accessed May 28, 2023)