Neutron Diffraction Study of the Crystal Structure of BaMoO4: A Suitable Precursor for Metallic BaMoO3 Perovskite
✍ Scribed by Vivian Nassif; Raúl E. Carbonio; José A. Alonso
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 176 KB
- Volume
- 146
- Category
- Article
- ISSN
- 0022-4596
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✦ Synopsis
BaMoO 3 , metallic and Pauli paramagnetic, has been prepared by controlled reduction of BaMoO 4 . This precursor, containing Mo(VI), is unusually stable against reduction, due to structural factors. The crystal structure of BaMoO 4 has been re5ned from neutron powder di4raction data: space group I4 1 /a (no. 88), Z ؍ 4, a ؍ 5.5479(9), and c ؍ 12.743(2) A s . A bondvalence study allowed us to detect the presence of slight tensile and compressive stresses in the crystal structure of BaMoO 4 , in which Ba is overbonded and Mo is underbonded. However, this e4ect is less pronounced than in other AMO 4 oxides with a scheelite structure (A ؍ Ca, Sr, Ba; M ؍ Mo, W): BaMoO 4 contains the M cation exhibiting the closest valence to the nominal value of 6؉, suggesting a large covalent contribution to the Mo+O bonds. This observation is coherent with the large thermal stability of this compound against reduction, taking place at temperatures above 9203C in H 2 6ow.
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