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. 2018 Jan 4;9(6):1654–1660. doi: 10.1039/c7sc04952h

Table 1. Crystallographic data of the ambient pressure (op) and high pressure (cp) phases of 1 and 2 as determined from PXRD data.

Compound 1-op 1-cp 2-op 2-cp
p/GPa ∼10–4 0.075(10) ∼10–4 0.18(6)
a 15.502(3) 14.235(12) 15.440(2) 13.981(9)
b 15.524(2) 14.874(18) 15.5102(18) 15.045(13)
c 18.079(3) 16.33(2) 18.082(2) 16.636(15)
α 90 90 90 90
β 90 91.55(3) 90 90.761(11)
γ 90 90 90 90
V3 4350.9(13) 3457(7) 4330.1(9) 3499(5)
S.G. Pbca P21/c Pbca P21/c