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Figure 1
Variation of the unit-cell volume and bulk modulus of a tetragonal crystal calculated with the EoS parameters listed in Table 1[link]. The EoS parameters obey the symmetry constraints between volume and axial properties at P = 0, but under compression the volume and bulk modulus calculated from the axial EoS deviate significantly from those from the volume EoS. Murnaghan EoS used for both axes and volume.

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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