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Carone, Darren; Usman, Mohammad; Klepov, Vladislav V.; Smith, Mark D.; Kocevski, Vancho; Besmann, Theodore M.; zur Loye, Hans-Conrad (, CrystEngComm)null (Ed.)Single crystals of two new germanates, [(Rb 6 F)(Rb 4 F)][Ge 14 O 32 ] and [(Rb 6 F)(Rb 3.1 Co 0.9 F 0.96 )][Co 3.8 Ge 10.2 O 30 F 2 ], were synthesized via high temperature RbCl/RbF flux growth. Both compounds crystallize in the cubic space group F 4̄3 m and possess the germanium framework of the previously reported salt inclusion material (SIM), [(Cs 6 F)(Cs 3 AgF)][Ge 14 O 32 ], related to the Ge 7 O 16 zeolitic family. These materials demonstrate the ability to accommodate a variety of salt-inclusions, and exhibit chemical flexibility enabling modifications of the framework through incorporation of Co. Alteration of the salt-inclusion led to intrinsic luminescence of [(Rb 6 F)(Rb 4 F)][Ge 14 O 32 ] while modification of the framework resulted in an unanticipated Rb/Co salt/inclusion in [(Rb 6 F)(Rb 3.1 Co 0.9 F 0.96 )][Co 3.8 Ge 10.2 O 30 F 2 ]. Fluorescence measurements were performed on [(Rb 6 F)(Rb 4 F)][Ge 14 O 32 ]. First-principles calculations in the form of density functional theory (DFT) were performed for [(Rb 6 F)(Rb 3.1 Co 0.9 F 0.96 )][Co 3.8 Ge 10.2 O 30 F 2 ] to elucidate its electronic and magnetic properties, and stability at 0 K.more » « less
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Usman, Mohammad; Smith, Mark; Kocevski, Vancho; Besmann, Theodore; zur Loye, Hans-Conrad (, CrystEngComm)
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Usman, Mohammad; Kocevski, Vancho; Smith, Mark D.; Morrison, Gregory; Besmann, Theodore; Loye, Hans-Conrad zur (, Crystal Growth & Design)
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Usman, Mohammad; Kocevski, Vancho; Smith, Mark D.; Morrison, Gregory; Zhang, Weiguo; Besmann, Theodore; Halasyamani, P. Shiv.; zur Loye, Hans-Conrad (, Inorganic Chemistry)null (Ed.)
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