Structure, Thermal Behavior, and Vibrational Spectroscopy of the Silver Borate AgB 3 O 5

Autor: Hubert Huppertz, Viktoria Falkowski, Gerhard Sohr, Klaus R. Liedl, Michael Schauperl
Rok vydání: 2015
Předmět:
Zdroj: European Journal of Inorganic Chemistry. 2015:527-533
ISSN: 1099-0682
1434-1948
DOI: 10.1002/ejic.201403006
Popis: The new silver borate AgB3O5 was obtained under high-pressure, high-temperature conditions at 3 GPa and 600 °C in a Walker-type multianvil device. The compound crystallizes with four formula units (Z = 4) in the unit cell in the orthorhombic space group Pna21 (no. 33). The lattice parameters are a = 1029.7(2), b = 832.2(2), c = 390.00(8) pm, and V = 0.3342(2) nm3. The new non-centrosymmetric structure is built up from planar BO3 groups and BO4 tetrahedra, which are interconnected by two- and threefold-coordinated oxygen atoms. In the channels down the c axis, the silver ions are 4+4-fold coordinated by oxygen ions. In addition to the collection of a single-crystal X-ray diffraction data set, ambient- and high-temperature X-ray powder diffraction experiments as well as IR and Raman spectroscopy were performed. The vibrational spectra were interpreted though calculations of the harmonic vibrational frequencies at the Γ point.
Databáze: OpenAIRE
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