Structure of V2O5·nH2O Xerogel Solved by the Atomic Pair Distribution Function Technique

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• 作者：Valeri Petkov ; Pantelis N. Trikalitis ; Emil S. Bozin ; Simon J. L. Billinge ; Thomas Vogt ; and Mercouri G. Kanatzidis
• 刊名：Journal of the American Chemical Society
• 出版年：2002
• 出版时间：August 28, 2002
• 年：2002
• 卷：124
• 期：34
• 页码：10157 - 10162
• 全文大小：306K
• 年卷期：v.124,no.34(August 28, 2002)
• ISSN：1520-5126

文摘

A long-standing issue regarding the local and long-range structure of V₂O₅·nH₂O xerogel hasbeen successfully addressed. The full three-dimensional structure of the lamellar turbostratic V₂O₅·nH₂Oxerogel was determined by the atomic pair distribution function technique. We show that on the atomicscale the slabs of the xerogel can be described well as almost perfect pairs (i.e., bilayers) of single V₂O₅layers made of square pyramidal VO₅ units. These slabs are separated by water molecules and stackalong the z-axis of a monoclinic unit cell (space group C2/m) with parameters a = 11.722(3) Å, b = 3.570(3)Å, c = 11.520(3) Å, and ges/gifchars/beta2.gif" BORDER=0 ALIGN="middle"> = 88.65ges/entities/deg.gif">. The stacking sequence shows signatures of turbostratic disorder anda structural coherence limited to 50 Å.