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The title material has a quasi-one-dimensional electronic structure and is ofconsiderable interest because it has a metallic phase with properties differentfrom a simple Fermi liquid, a poorly understood "insulating" phase, and asuperconducting phase which may involve spin triplet Cooper pairs. Using theSlater-Koster approach and comparison with published band structurecalculations we present the simplest possible tight-binding model for theelectronic band structure near the Fermi energy. This describes a set ofladders with weak (and frustrated) inter-ladder hopping. In the correspondinglattice model the system is actually close to one-quarter filling (i.e., oneelectron per pair of sites) rather than half-filling, as has often beenclaimed. We consider the simplest possible effective Hamiltonian that maycapture the subtle competition between unconventional superconducting, chargeordered, and non-Fermi liquid metal phases. We argue that this is an extendedHubbard model with long-range Coulomb interactions. Estimates of the relevantvalues of the parameters in the Hamiltonian are given. NMR relaxation rateexperiments should be performed to clarify the role of charge fluctuations inLi0.9Mo6O17 associated with the proximity to a Coulomb driven charge orderingtransition.

Effective Hamiltonian for the electronic properties of the quasi-one-dimensional material Li0.9Mo6O17