Reference X-ray Powder Diffraction Pattern of a New High-Pressure Phase, CaCo2O4
Winnie K. Wong-Ng, James A. Kaduk, Masaaki Isobe
Research in new cobaltites is important for waste heat recovery applications. A new calcium cobaltite phase, CaCo2O4, prepared under high pressure, has been reported recently to have a large Seebeck coefficient. This paper reports the reference x-ray powder diffraction pattern for CaCo2O4, which crystallizes in the CaFe2O4-type structure and consists of an edge- and corner-shared CoO6 octahedral network. The structure is orthorhombic with space group Pnma, a = 8.789(2) Å, b=2.9006(7) Å, c = 10.282(3) Å, V = 262.43Å3, and Dc=5.62 g/cm3. The reference pattern was prepared using the Rietveld technique, and has been submitted to the Powder Diffraction File (PDF).