De Picciotto, LAAdendorff, KTLiles, DCThackeray, MM2007-02-082007-06-072007-02-082007-06-071993-08De Picciotto LA et al. 1994. Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction. Solid State Ionics, vol 62, 04 March, pp 297-307.0167-2738http://hdl.handle.net/10204/1658http://hdl.handle.net/10204/1658The crystal structures of Li1.2V3O8 and a lithiated product Li4.0V3O8 have been determined by single-crystal X-ray diffraction methods. The structure refinement of Li1.2V308 confirms that of Li1+xV3O8(x almost-equal-to 0) reported by Wadsley thirty-six years ago. However, unlike Wadsley's data, the refinement of Li1.2V3O8 demonstrates that the lithium ions are distributed over two independent crystallographic sites. One lithium ion, Li (1), is octahedrally coordinated; the other, Li(2), has tetrahedral coordination. Lithiation of LiL2V308 with an-butyl lithium at room temperature displaces Li(1) through an octahedral face into a neighbouring octahedral site, whereas Li(2) shifts its position very slightly to adopt octahedral coordination. During lithiation, the packing of the oxygen-ion array is adjusted slightly to adopt an arrangement that approaches cubic-close-packing. The lithiated product Li4V3O8 has a defect rock salt structure. The structural data provide a greater insight into the discharge mechanism that occurs in Li/Li1+xV3O8 electrochemical cells.845762 bytesapplication/pdfenCopyright: 1993 Elsevier Science Publishers B.V.LithiumLithiated crystalsChemistryArticleDe Picciotto, L., Adendorff, K., Liles, D., & Thackeray, M. (1993). Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction. http://hdl.handle.net/10204/1658De Picciotto, LA, KT Adendorff, DC Liles, and MM Thackeray "Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction." (1993) http://hdl.handle.net/10204/1658De Picciotto L, Adendorff K, Liles D, Thackeray M. Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction. 1993; http://hdl.handle.net/10204/1658.TY - Article AU - De Picciotto, LA AU - Adendorff, KT AU - Liles, DC AU - Thackeray, MM AB - The crystal structures of Li1.2V3O8 and a lithiated product Li4.0V3O8 have been determined by single-crystal X-ray diffraction methods. The structure refinement of Li1.2V308 confirms that of Li1+xV3O8(x almost-equal-to 0) reported by Wadsley thirty-six years ago. However, unlike Wadsley's data, the refinement of Li1.2V3O8 demonstrates that the lithium ions are distributed over two independent crystallographic sites. One lithium ion, Li (1), is octahedrally coordinated; the other, Li(2), has tetrahedral coordination. Lithiation of LiL2V308 with an-butyl lithium at room temperature displaces Li(1) through an octahedral face into a neighbouring octahedral site, whereas Li(2) shifts its position very slightly to adopt octahedral coordination. During lithiation, the packing of the oxygen-ion array is adjusted slightly to adopt an arrangement that approaches cubic-close-packing. The lithiated product Li4V3O8 has a defect rock salt structure. The structural data provide a greater insight into the discharge mechanism that occurs in Li/Li1+xV3O8 electrochemical cells. DA - 1993-08 DB - ResearchSpace DP - CSIR KW - Lithium KW - Lithiated crystals KW - Chemistry LK - https://researchspace.csir.co.za PY - 1993 SM - 0167-2738 T1 - Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction TI - Structural characterization of Li1.2v3o8 insertion electrodes by single-crystal x-ray-diffraction UR - http://hdl.handle.net/10204/1658 ER -