Abstract
The cell parameters of perdeuterated chalcanthite have been calculated from powder neutron diffraction data collected between 4.2 and 340 K. The volume expansivity is well represented by the Einstein expression X=357.24+8.81/(e (284.91 /T) −1). The high-temperature limit of the volume expansion coefficient is 8.66×10 −5 K −1. The a and b cell edges vary as expected, however, the c cell edge contracts by 0.005 Å and the unit cell angles all decrease on increasing temperature. All the unit cell parameters display anomalous behaviour within the temperature range 10–50 K which is not evident in the volume expansivity.
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