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The low-temperature crystal structure of BaCuSi2O6 has been investigated withhigh-resolution synchrotron x-ray and neutron powder diffraction techniques andhas been found to be on average (ignoring the incommensurate modulation)orthorhombic, with the most probable space group Ibam. The Cu-Cu dimers in thismaterial are forming two types of layers with distinctly different interatomicdistances. Subtle changes also modify the partially frustrated interlayer Cu-Cuexchange paths. The present results corroborate the interpretation oflow-temperature nuclear magnetic resonance and inelastic neutron scatteringdata in terms of distinct dimer layers.

Two types of adjacent dimer layers in the low temperature phase of BaCuSi2O6