Crystal structure of Li/sub 0. 33/MoO/sub 3/, a stoichiometric, triclinic, lithium molybdenum bronze
The crystal structure of Li/sub 0.33/MoO/sub 3/, the first structurally well-characterized triclinic bronze, has been determined from single-crystal X-ray diffraction data. Li/sub 0.33/MoO/sub 3/ crystallizes in space group P1 with a = 13.079(2), b = 15.453(2), c = 7.476(1) A, a = 96.97(2), ..beta.. = 106.56(2), ..gamma.. = 103.368(9)/sup 0/, Z = 24, and R/sub F/ = 0.032 for 10,664 reflections with F/sub 0//sup 2/ greater than or equal to 3sigma(F/sub 0//sup 2/). Distorted lithium and molybdenum octahedra form V/sub 2/O/sub 5/-type layers parallel to the ac plane. Each layer contains six unique MoO/sub 6/ units and two unique LiO/sub 6/ units. Four such layers, two of which are unique, are interconnected through edge and corner sharing to form a three-dimensional network structure. The location of lithium atoms at completely occupied octahedral sites establishes the stoichiometric composition LiMo/sub 3/O/sub 9/. Examination of the structure suggests that Li/sub 0.33/MoO/sub 3/ should be a semiconductor except along c where metallic conduction is possible.
- Research Organization:
- Rutgers, The State Univ. of New Jersey, New Brunswick
- OSTI ID:
- 5282978
- Journal Information:
- J. Solid State Chem.; (United States), Journal Name: J. Solid State Chem.; (United States) Vol. 64:1; ISSN JSSCB
- Country of Publication:
- United States
- Language:
- English
Similar Records
Substitutional studies on the anisotropic, semiconducting, molybdenum bronze, Li/sub 0. 33/MoO/sub 3/
Structural origin of semiconducting properties of the molybdenum red bronzes A sub 0. 33 MoO sub 3 (A = K, Rb, Cs, Tl)
Related Subjects
360202* -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201 -- Chemical & Physicochemical Properties
ALKALI METAL COMPOUNDS
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DATA
DIFFRACTION
EXPERIMENTAL DATA
INFORMATION
LITHIUM COMPOUNDS
MOLYBDATES
MOLYBDENUM COMPOUNDS
NUMERICAL DATA
OXYGEN COMPOUNDS
REFRACTORY METAL COMPOUNDS
SCATTERING
STOICHIOMETRY
TRANSITION ELEMENT COMPOUNDS
TRICLINIC LATTICES
X-RAY DIFFRACTION