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Figure 7
Unit-cell-parameter and β-angle variation of monoclinic C4H4N3ClCuI with pressure (unpublished data). Solid lines for a, b and c are the fitted axial EoSs. The β angle calculated from these and the volume EoS is shown as a solid line and does not match the measured data because of the uncertainties in the EoS parameters of the axial EoSs. These cause the lengths of vectors not in the (010) plane, such as [111], to have predicted variations with pressure (solid line) that are unrealistic. The use of a polynomial function to describe the evolution of the β angle with pressure (dashed line) together with the same axial EoS reproduces (dashed lines) the measured variation of d(100) and [111] with pressure.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 54| Part 6| December 2021| Pages 1621-1630
https://doi.org/10.1107/S1600576721009092
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