Vibrational study and crystal structure refinement of BaHPO4

被引：20

作者：

BenChaabane, T ^{[1
]}

Smiri, L

Bulou, A

机构：

[1] Fac Sci Bizerte, Lab Chim Inorgan & Struct, Jarzouna 7021, Tunisia

[2] Univ Maine, UMR CNRS 6087, Fac Sci, Lab Phys Etat Condense, F-72085 Le Mans 9, France

来源：

SOLID STATE SCIENCES | 2004年 / 6卷 / 02期

关键词：

hydrogen bonds; alkaline earth hydrogen monophosphate; Raman spectroscopy;

D O I：

10.1016/j.solidstatesciences.2003.11.008

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

X-ray single crystal structure of BaHPO4 is refined in the centric space group Pbnm (No. 62) with a = 4.609(1) Angstrom, b = 14.195(3) Angstrom, C = 17.214(5) Angstrom, V = 1126.3 (5) Angstrom(3), Z = 12 and a final R value of 0.036 for 1261 independent reflections. The atomic arrangement consists of anionic linear chains lying parallel to the a direction and strongly linked by hydrogen bonds. Two successive chains are separated by Ba2+ cations. A comparison of the anionic networks for some similar compounds is also given. The polarized Raman and infrared absorption spectra are investigated. A factor group analysis leads to determination of internal modes of the PO43- anions. The vibrational study confirmed the strong H-OP hydrogen bonds to the phosphate groups and indicated a notable hydrogen bridges in BaHPO4 compound. (C) 2003 Elsevier SAS. All rights reserved.

引用

页码：197 / 204

页数：8

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