ChemInform Abstract: Direct Observation of Change in Crystal Structures During Solid-State Reactions of 1,3-Diene Compounds

ChemInform ◽  
2011 ◽  
Vol 42 (25) ◽  
pp. no-no
Author(s):  
Akikazu Matsumoto
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Direct Observation ◽  
Solid State Reactions

Syntheses and Crystal Structures of the Solid Solution Sr4OBr2.89(2)Cl3.11(2) and the Elusive Ba2OBr2

2011 ◽  
Vol 66 (10) ◽  
pp. 1000-1004
Author(s):  
Olaf Reckeweg ◽  
Francis J. DiSalvo
Keyword(s):  
Solid Solution ◽  
Solid State ◽  
Single Crystals ◽  
Crystal Structures ◽  
Solid State Reactions ◽  
Molar Ratio ◽  
Orthorhombic Space Group ◽  
Space Group ◽  
Cell Parameters

Transparent and colorless single crystals of the compounds Sr4OBr2.89(2)Cl3.11(2) and Ba2OBr2 were obtained by solid-state reactions of SrCl2, SrBr2 and SrO (3 : 3 : 2 molar ratio) or by using an excess of BaO together with BaBr2 and Ba as a flux with the molar ratio 3 : 2 : 2, respectively. Ba2OBr2 crystals are isopointal to K2ZnO2 adopting the orthorhombic space group Ibam (no. 72, Z = 4) with the cell parameters a = 7247.44(10), b = 1297.76(20) and c = 657.43(10) pm. Sr4OBr2.89(2)Cl3.11(2) is isotypic to Ba4OCl6 (or isopointal to K6ZnO4) and crystallizes in the hexagonal space group P63mc (no. 186, Z = 2) with the cell parameters a = 982.20(4) and c = 750.41(7) pm.

Synthesis, crystal structures and solid state reactions of zinc(ii) cyclobutane-1,1′-dicarboxylates containing 1,2-bis(pyrid-4 yl)ethylene

2019 ◽  
Vol 29 (6) ◽  
pp. 643-645
Author(s):  
Ivan E. Ushakov ◽  
Alexander S. Goloveshkin ◽  
Ekaterina N. Zorina-Tikhonova ◽  
Aleksandr S. Chistyakov ◽  
Aleksei A. Sidorov ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Solid State Reactions

scholarly journals Computational Chemistry-Guided Syntheses and Crystal Structures of the Heavier Lanthanide Hydride Oxides DyHO, ErHO, and LuHO

Crystals ◽  
2021 ◽  
Vol 11 (7) ◽  
pp. 750
Author(s):  
Nicolas Zapp ◽  
Denis Sheptyakov ◽  
Holger Kohlmann
Keyword(s):  
Rare Earth ◽  
Solid State ◽  
Computational Chemistry ◽  
Crystal Structures ◽  
Functional Materials ◽  
Structure Type ◽  
Solid State Reactions ◽  
X Ray ◽  
Synthesis Conditions ◽  
Phase Width

Heteroanionic hydrides offer great possibilities in the design of functional materials. For ternary rare earth hydride oxide REHO, several modifications were reported with indications for a significant phase width with respect to H and O of the cubic representatives. We obtained DyHO and ErHO as well as the thus far elusive LuHO from solid-state reactions of RE2O3 and REH3 or LuH3 with CaO and investigated their crystal structures by neutron and X-ray powder diffraction. While DyHO, ErHO, and LuHO adopted the cubic anion-ordered half-Heusler LiAlSi structure type (F4¯3m, a(DyHO) = 5.30945(10) Å, a(ErHO) = 5.24615(7) Å, a(LuHO) = 5.171591(13) Å), LuHO additionally formed the orthorhombic anti-LiMgN structure type (Pnma; LuHO: a = 7.3493(7) Å, b = 3.6747(4) Å, c = 5.1985(3) Å; LuDO: a = 7.3116(16) Å, b = 3.6492(8) Å, c = 5.2021(7) Å). A comparison of the cubic compounds’ lattice parameters enabled a significant distinction between REHO and REH1+2xO1−x (x < 0 or x > 0). Furthermore, a computational chemistry study revealed the formation of REHO compounds of the smallest rare earth elements to be disfavored in comparison to the sesquioxides, which is why they may only be obtained by mild synthesis conditions.

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