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Powder-neutron diffraction studies of geometric isotope and hydrogen-bonding effects in β-CrOOH |
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| Authors: | Toshihiro Fujihara,Mizuhiko Ichikawa,Torbjö rn GustafssonIvar Olovsson,Takeshi Tsuchida |
| Affiliation: | a Division of Physics, Graduate School of Science, Hokkaido University, 060-0810 Sapporo, Japan b Materials Chemistry, Ångström Laboratory, Uppsala University, Box 538, SE-751 21, Uppsala, Sweden c Division of Materials Science and Engineering, Graduate School of Engineering, Hokkaido University, 060-8628 Sapporo, Japan |
| Abstract: | Powder-neutron diffraction studies have been done on β-CrOOH and β-CrOOD to confirm whether or not the reported exceptionally large geometric isotope effect is real, and also to study hydrogen-bonding effects in β-CrOOH compared to the prototype CrO2. The R(O?O) distance in the H-compound at room temperature is confirmed to be 2.472(3) Å, but in the D-compound it is significantly shorter, 2.518(3) Å, than in the earlier work. The resulting magnitude of the geometric isotope effect, 0.046(4) Å, is thus not as exceptionally large as earlier reported, but is still within the maximum range. Structural comparison with CrO2 clarified the hydrogen-bonding effect in β-CrOOH: the formation of hydrogen bonds brings CrO6 closer to a regular octahedron. |
| Keywords: | A. Inorganic compounds C. Neutron scattering D. Crystal structure |
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