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. 2023 Oct 30;127(44):21684–21694. doi: 10.1021/acs.jpcc.3c04019

Table 5. EOS Parameters (Cell Volume per Formula Unit, Bulk Modulus, and Its First Derivative) for Reported Kagomé-Staircase Orthovanadates.

XRD HP experiments V03) B0 (GPa) B0
Co3V2O8 up to 9.3(1) GPa (this work) 575.6(3) 127(3) 2.8 (9)
575.9(2) 122(4) 4.0 (fixed)
Co3V2O8 up to 20.0(1) GPa (this work) 576.3(8) 106(7) 9.7(1.3)
574.0(6) 142(3) 4.0 (fixed)
Ni3V2O8 up to 7.6(1) GPa24 555.7(2) 139(3) 4.4(3)
555.3(2) 143(3) 4.0 (fixed)
Mn3V2O8 up to 12 GPa21 623.4(2) 116(3) 2.6(5)
624.5(5) 106(3) 4.0 (fixed)
Zn3V2O8 up to 15 GPa22 585.0(4) 115(2) 5.1(6)
585.1(1) 120(2) 4.0 (fixed)
Mg3V2O8 up to 17 GPa23 576.15(3) 141(3) 5.9(8)
576.15(3) 152(4) 4 (fixed)
DFT calculations V03) B0 (GPa) B0
Co3V2O8 (this work) 565.6(3) 129(7) 3.7(4)
565.9(6) 126(6) 4.0 (fixed)
Ni3V2O859 527.9 171 4.5
Zn3V2O859 563.2 136 5.4
Mg3V2O859 539.7 146 4.4