Hydrothermal Synthesis and Crystal Structures of Ba2Fe3H(PO4)2(P2O7)2 and Ba2V3H(PO4)2(P2O7)2

✍ Scribed by E. Dvoncova; K.-H. Lii; C.-H. Li; T.-M. Chen

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 256 KB
• Volume: 106
• Category: Article
• ISSN: 0022-4596
• DOI: 10.1006/jssc.1993.1308

✦ Synopsis

Two new (\mathrm{Fe}^{\mathrm{Ill}}) and (\mathrm{V}^{\mathrm{ll}}) phosphates, (\mathrm{Ba}{2} \mathrm{Fe}{3} \mathrm{H}\left(\mathrm{PO}{4}\right){2}\left(\mathrm{P}{2} \mathrm{O}{7}\right){2}) and (\mathrm{Ba}{2} \mathrm{~V}{3} \mathrm{H}{2}\left(\mathrm{PO}{4}\right){2}\left(\mathrm{P}{2} \mathrm{O}{7}\right){2}), have been prepared and their structures have been determined from single-crystal (\mathrm{X})-ray diffraction data. They crystallize in the triclinic space group (P \overline{1}) with (a=4.858(2), b=7.908(2), c=11.300(3) \AA, \alpha=89.10(2), \beta=) 89.28(2), (\gamma=87.25(2)^{\circ}, V=433.5(3) \AA^{3}, Z=1) and (R=0.0195) for (\mathrm{Ba}{2} \mathrm{Fe}{3} \mathrm{H}\left(\mathrm{PO}{4}\right){2}\left(\mathrm{P}{2} \mathrm{O}{7}\right){2}), and (a=) (4.8433(8), b=7.902(1), c=11.308(2) \AA, \alpha=88.77(1), \beta=89.22(1), \gamma=87.11(1)^{\circ}, V=432.09(12)) (\AA^{3}, Z=1) and (R=0.020) for (\mathrm{Ba}{2} \mathrm{~V}{3} \mathrm{H}\left(\mathrm{PO}{4}\right){2}\left(\mathrm{P}{2} \mathrm{O}{7}\right){2}). The two compounds are isostructural. The framework is built up from corner-sharing (\mathrm{M}^{\mathrm{II}} \mathrm{O}{6}) octahedra, (\mathrm{PO}{4}) tetrahedra and (\mathrm{P}{2} \mathrm{O}_{7}) units. The structure contains tunnels along the ([100]) direction in which the (\mathrm{Ba}^{2+}) ions are located. 1993 Academic Press, Inc.