An x-ray powder diffraction analysis at 5 K shows that the structure of Cu1.8Mo6S8 in the superconducting state is a triclinic distorted version of the rhombohedral room temperature structure. The distortion is due to a clustering of the Cu atoms into pairs [d(Cu-Cu) = 2.58 å] as the compound transforms at 270 K from the disordered high-temperature into the ordered low-temperature modification.
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Baillif, R., Yvon, K., Flükiger, R. et al. The triclinic structure of Cu1.8Mo6S8 in the superconducting state. J Low Temp Phys 37, 231–237 (1979). https://doi.org/10.1007/BF00114069
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DOI: https://doi.org/10.1007/BF00114069