The structure of the lithium inserted rutile-based compound LiMoO2 has been determined from neutron powder diffraction data by use of the Rietveld profile technique. The inserted Li is incorporated into the MoO2 lattice in octahedral sites with an average Li0 distance of 2.12 Å. The Mo atoms also occupy octahedral sites with an average MoO distance of 2.12 Ǎ, and form Mo-Mo pairs with a separation of 2.46 Å. LiMoO2 can best be regarded as having a distorted NiAs-type structure rather than one of rutile-type. No changes in structure were observed in the temperature range 4-400K.
All Science Journal Classification (ASJC) codes
- Materials Science(all)
- Condensed Matter Physics