Oxonium Ions Substituting Cesium Ions in the Structure of the New High‐Pressure Borate HP‐Cs1−x(H3O)xB3O5 (x=0.5–0.7) |
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Authors: | Gerhard Sohr Dr Stephanie C Neumair Dr Gunter Heymann Dr Klaus Wurst Prof?Dr Jörn Schmedt?auf?der?Günne Prof?Dr Hubert Huppertz |
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Institution: | 1. Institut für Allgemeine, Anorganische und Theoretische Chemie, Leopold‐Franzens‐Universit?t Innsbruck, Innrain 80‐82, 6020 Innsbruck (Austria);2. Tyrolit Schleifmittelwerke Swarovski K.G. Swarovskistrasse 33, 6130 Schwaz (Austria);3. Department für Chemie und Biologie, Universit?t Siegen, Adolf‐Reichwein‐Strasse, 57080 Siegen (Germany) |
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Abstract: | The new high‐pressure borate HP‐Cs1?x(H3O)xB3O5 (x=0.5–0.7) was synthesized under high‐pressure/high‐temperature conditions of 6 GPa/900 °C in a Walker‐type multianvil apparatus. The compound crystallizes in the monoclinic space group C2/c (Z=8) with the parameters a=1000.6(2), b=887.8(2), c=926.3(2) pm, β=103.1(1)°, V=0.8016(3) nm3, R1=0.0452, and wR2=0.0721 (all data). The boron–oxygen network is analogous to those of the compounds HP‐MB3O5, (M=K, Rb) and exhibits all three structural motifs of borates—BO3 groups, corner‐sharing BO4 tetrahedra, and edge‐sharing BO4 tetrahedra—at the same time. Channels inside the boron–oxygen framework contain the cesium and oxonium ions, which are disordered on a specific site. Estimating the amount of hydrogen by solid‐state NMR spectroscopy and X‐ray diffraction led to the composition HP‐Cs1?x(H3O)xB3O5 (x=0.5–0.7), which implies a nonzero phase width. |
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Keywords: | borates cesium high‐pressure chemistry solid‐state structures structure elucidation |
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