Abstract
Abstract A single crystal X-ray structure analysis of orthorhombic BaCrF5 (a = 1393.8(1), b = 571,1(1), c = 494,7(1) pm), which crystallizes in the structure type of BaGaF5, space group P212121, yielded Cr-F distances in the range of 187.3 to 194.9 pm, average 190.2 pm. Using powder neutron diffraction data taken at 2.2 K a G-type antiferromagnetic structure with spin alignment along the c direction of the lattice was worked out. Single crystal susceptibility data were consistent with this model and in addition showed a small net moment, probably due to spin canting, to be present below the Neel temperature of TN = 3.4 K. The orientation of this moment along the b axis is in accordance with the space group symmetry as well, chemical and magnetic cell being the same. From powder susceptibility data an exchange energy of -3.74 K (g = 2.02) was obtained by fitting Fisher's model. The low bridging angle of Cr-F-Cr = 137.4° within the cis corner-sharing chain of octahedra is made responsible for the weak antiferromagnetism in BaCrF5, which is compared to that of other chromium(III) fluorides.
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