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Research data supporting "Structure and magnetism of a new hexagonal polymorph of Ba3Tb(BO3)3 with a quasi-2D triangular lattice"

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The zipped data file contains: STRUCTURAL: X-ray diffraction intensities as a function of 2theta at variable temperature (12,50,100,150,200,250,300 K). Rietveld refinement results in a four column format: 2theta (deg), observed intensity, calculated intensity, and difference (obs minus calc). Location of Bragg reflections ('ticks') in a text file. List of Bragg reflections with their Miller indices (h,k,l) and intensities, as a .hkl file. Crystallographic Information File (.cif) with full structural and symmetry information for the reported phase. Atomic positions of heavy atoms as a function of temperature (.dat file) MAGNETIC: Magnetocaloric data (MCE) as a function of field and temperature (.dat file). Zero-field-cooled (ZFC) magnetic susceptibility data (.dat file) Isothermal magnetisation (MvH) at several temperatures (2,4,6,8,10,15,20,100K) as .dat files.

See filedirectory.txt for information on data. All files can be opened in txt files; .cif files can also be opened in software designed for viewing crystal structures. Further information about data collection and analysis is given in the manuscript.


Software / Usage instructions

All files can be opened as text files. The CIF (.cif) can also be opened using crystal viewing software such as VESTA. File types are given in filedirectory.txt


magnetism, magnetocaloric, x-ray diffraction