Showing papers by "A. Le Bail published in 2000"
TL;DR: In this paper, a new phosphate CdBa2(P2O7)(HPO4) was characterized by X-ray diffraction, IR absorption, TGA and ab-initio crystal structure determination.
9 citations
TL;DR: In this article, a new phosphate CdBa2(P2O7)(HPO4) was characterized by X-ray diffraction, IR absorption, TGA and ab-initio crystal structure determination.
Abstract: Hydrothermal synthesis, characterization by X-ray diffraction, IR absorption, TGA and ab-initio crystal structure determination are reported for a new phosphate CdBa2(P2O7)(HPO4). It crystallizes in a monoclinic cell (space group Im, No. 8, Z=2) with a=11.9022(1) A, b=5.5530(1) A, c=7.3401(1) A, β=90.091(1)°. The X-ray powder diffraction pattern was fitted by the Rietveld method technique with reliability RBragg=0.037. Hydrogen atoms could not be located. The crystal structure of CdBa2(P2O7)(HPO4) is built up from P2O7 diphosphate groups sharing four oxygen atoms with two CdO6 trigonal prisms. Each CdO6 trigonal prism shares one edge with the HPO4 unit. Such an arrangement builds up isolated infinite chains CdP3O11 running along the b axis. Ba2+ ions are inserted between these chains in the (b,c) plane.