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Structure, Thermal Behavior, and Vibrational Spectroscopy of the Silver Borate AgB 3 O 5
Author(s) -
Sohr Gerhard,
Falkowski Viktoria,
Schauperl Michael,
Liedl Klaus R.,
Huppertz Hubert
Publication year - 2015
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201403006
Subject(s) - chemistry , orthorhombic crystal system , raman spectroscopy , boron , crystallography , crystal structure , infrared spectroscopy , ion , space group , diffraction , spectroscopy , x ray crystallography , analytical chemistry (journal) , physics , organic chemistry , chromatography , quantum mechanics , optics
The new silver borate AgB 3 O 5 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 Pna 2 1 (no. 33). The lattice parameters are a = 1029.7(2), b = 832.2(2), c = 390.00(8) pm, and V = 0.3342(2) nm 3 . The new non‐centrosymmetric structure is built up from planar BO 3 groups and BO 4 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.