US EPA

2642547 

Journal Article 

Alkaline Earth Metal-Hydride-Iodide Compounds: Syntheses and Crystal Structures of Sr2H3I and Ba5H2I3.9(2)O2 

Reckeweg, O; Disalvo, FJ 

2011 

1 

Zeitschrift für Naturforschung B
ISSN: 0932-0776 

66 

1 

21-26 

WOS:000288360600004 

Single crystals of Sr2H3I and Ba5H2I3.9(2)O2 were obtained by reacting Sr or Ba, respectively, with dried and sublimed NH4I in a 4 : 1 molar ratio in silica-jacketed Nb ampoules for 13 h at 1200 K. The crystal structures of the new compounds have been determined by means of single-crystal X-ray diffraction. Sr2H3I crystallizes in a stuffed anti-CdI2 structure isotypic to Ba2H3Cl in the space group P (3) over bar m1 (no. 164) with the lattice parameters a = 426.0(1) and c = 774.9(2) pm, while Ba5H2I3.9(2)O2 crystallizes in a new structure type in the space group Cmcm (no. 63) with the lattice parameters a = 1721.0(2), b = 1452.5(2) and c = 639.03(9) pm. The structural results for Sr2H3I are corroborated by EUTAX calculations. For the disordered compound Ba5H2I3.9(2)O2, EUTAX calculations on an approximated, ordered structural model were used. to find possible insights into the disorder. 

Strontium; Barium; Iodide; Hydride; Structure Elucidation; EUTAX Calculations