Structure determination of low-dimensional conductor sodium molybdenum purple bronze Na/sub 0. 9/Mo/sub 6/O/sub 17/

Journal Article · Wed Jul 01 04:00:00 EDT 1987 · J. Solid State Chem.; (United States)

DOI:https://doi.org/10.1016/0022-4596(87)90011-9· OSTI ID:6292771

Onoda, M; Matsuda, Y; Sato, M

Structure determination of the molybdenum purple bronze Na/sub 0.9/Mo/sub 6/O/sub 17/ 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) A, ..beta.. = 89.94(1)/sup 0/, Z = 2. Full-matrix least-squares refinement gives the final values of R(F) = 0.028 and R/sub w/(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 MoO/sub 4/ and MoO/sub 6/ polyhedra. There are slabs which consist of four layers of distorted MoO/sub 6/ octahedra sharing corners. Both the structure and the molybdenum valence distribution estimated from the Mo-O 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, K/sub 0.9/Mo/sub 6/O/sub 17/ and Li/sub 0.9/Mo/sub 6/O/sub 17/. The difference of the electronic properties among these compounds can be well understood on the basis of their structural characteristics.

• Research Organization: Okazaki National Research Institutes, Japan
• OSTI ID: 6292771
• Journal Information: J. Solid State Chem.; (United States), Journal Name: J. Solid State Chem.; (United States) Vol. 69:1; ISSN JSSCB
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
360204 -- Ceramics
Cermets
& Refractories-- Physical Properties
ALKALI METAL COMPOUNDS
CHALCOGENIDES
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CRYSTALS
DATA
DIFFRACTION
ELECTRICAL PROPERTIES
EXPERIMENTAL DATA
INFORMATION
LATTICE PARAMETERS
MOLYBDENUM COMPOUNDS
MOLYBDENUM OXIDES
MONOCLINIC LATTICES
MONOCRYSTALS
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
REFRACTORY METAL COMPOUNDS
SCATTERING
SODIUM COMPOUNDS
SODIUM OXIDES
SPACE GROUPS
TRANSITION ELEMENT COMPOUNDS
X-RAY DIFFRACTION