Structure determination of low-dimensional conductor sodium molybdenum purple bronze Na0.9Mo6O17 |
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| Institution: | 1. Departamento de Física, Universidade Federal do Paraná, Caixa Postal 19091, 81531-990, Curitiba, PR, Brazil;2. Departamento de Engenharia de Materiais, Escola de Engenharia de Lorena, Universidade de São Paulo, CEP 12.609-810, Lorena, SP, Brazil;1. Univ Rennes, CNRS, IPR (Institut de Physique de Rennes) - UMR 6251, F-35000, Rennes, France;2. Institut Universitaire de France, France;1. Koç University, Istanbul, Turkey;2. Özyeğin University, Istanbul, Turkey;3. École Polytechnique Fédérale de Lausanne, Switzerland;1. CAS Key Lab of Inorganic Functional Materials and Devices, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050, China;2. School of Engineering, RMIT University, Melbourne, VIC, 3000, Australia;3. Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China;4. Kunshan Shuangqiao Sensor Ltd. Co., Suzhou 215300, China |
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| Abstract: | Structure determination of the molybdenum purple bronze Na0.9Mo6O17 is carried out by single-crystal X-ray diffraction. The crystal is monoclinic with space group A2 and the lattice constants are a = 12.983(2), b = 5.518(1), c = 9.591(2) Å, β = 89.94(1)°, Z = 2. Full-matrix least-squares refinement gives the final values of R(F) = 0.028 and Rw(F) = 0.040 for 1484 independent reflections, in which the occupancy factor of the sodium atom becomes 0.899(12). The present structure is built up of the linkage of the MoO4 and MoO6 polyhedra. There are slabs which consist of four layers of distorted MoO6 octahedra sharing corners. Both the structure and the molybdenum valence distribution estimated from the MoO bond lengths are considered to lead to the two-dimensional electronic transport. This structure is compared with those of other members of molybdenum purple bronzes, K0.9Mo6O17 and Li0.9Mo6O17. The difference of the electronic properties among these compounds can be well understood on the basis of their structural characteristics. |
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