1. PCN-250 under Pressure: Sequential Phase Transformation and the Implications for MOF Densification 
Shuai Yuan, Xing Sun, Jiandong Pang, Christina Lollar, Jun-Sheng Qin, Zac Perry, Elizabeth Joseph, Xuan Wang, Yu Fang, Matheiu Bosch, Di Sun, Dahuan Liu, Hong-Cai Zhou 
Joule 
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2. Figure 1 Structural Transformation of PCN-250 under Pressure
(A–D) Structure of (A) Fe3-μ3-oxo cluster; (B) ABTC linkers with different configurations; (C) comparison of the crystal structures of PCN-250, PCN-250′, and PCN-250″; (D) scheme representation of the structural transformation including the inclination of unit cell and flipping of linkers.
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3. Figure 2 Structural Change in PCN-250 Proved by PXRD Patterns
(A) PXRD patterns of extruded PCN-250 under different pressures.
(B) A comparison of experimental and simulated PXRD patterns based on single-crystal structures. The major changes are highlighted.
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4. Figure 3 Gas Adsorption Studies
(A and B) N2 adsorption isotherms (A) and total N2 uptake (77 K, 1 bar) of PCN-250 pellets compressed under different pressures (B). Each sample was prepared three times for N2 total uptake measurements. Error bars represent SD.
(C and D) High-pressure CH4 adsorption isotherms (C) and total CH4 uptake (298 K, 65 bar) of different PCN-250 pellets (D). The volumetric CH4 uptake was calculated based on the density of PCN-250 pellets.
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5. Joule DOI: ( /j.joule )
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