S. K. Mishra, R. Mittal, P. S. R. Krishna, P. U. Sastry, S. L. Chaplot, S. Matsuishi, H. Hosono
The structural properties of the CaFe2As2 have been investigated by x-ray and neutron powder diffraction techniques as a function of temperature. Unambiguous experimental evidence is shown for coexistence of tetragonal and orthorhombic phases below 170 K in contrast to existing literature. Detailed Rietveld analyses of thermo-diffractograms show that the sample does not transform completely in to the orthorhombic phase at the lowest temperature even though it is the majority phase. We have found that the unit cell volume of the orthorhombic phase is higher compared to that of the tetragonal phase for all the temperatures. X-ray data on CaFe2As2 shows anomalous (at) lattice parameter contraction with increasing temperature and phase co-existence behavior below 170 K unlike other members of the 122 family of compounds like SrFe2As2 and EuFe2As2.
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http://arxiv.org/abs/1304.0595
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