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Figure 8
Unit-cell-parameter and angle variation of triclinic C4H4N3Cu2I2 with pressure (Conesa-Egea et al., 2017BB13). Solid lines for a, b and c are the fitted axial EoSs. The angles calculated (solid lines) from these axial EoSs and the EoSs for three d spacings and the volume do not match the measured data. As a consequence, the evolution of directions such as [111] is predicted to have unrealistic variations with pressure (solid line). The use of polynomial functions to describe the evolution of the angles with pressure (dashed lines) together with the same axial EoS for a, b and c 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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