Received 18 March 2013
The title compound, lithium dicobalt(II) triarsenate, LiCo2As3O10, was synthesized by a solid-state reaction. The As atoms and four out of seven O atoms lie on special positions, all with site symmetry m. The Li atoms are disordered over two independent special (site symmetry -1) and general positions with occupancies of 0.54 (7) and 0.23 (4), respectively. The structure model is supported by bond-valence-sum (BVS) and charge-distribution (CHARDI) methods. The structure can be described as a three-dimensional framework constructed from bi-octahedral Co2O10 dimers edge-connected to As3O10 groups. It delimits two sets of tunnels, running parallel to the a and b axes, the latter being the larger. The Li+ ions are located within the intersections of the tunnels. The possible motion of the alkali cations has been investigated by means of the BVS model. This simulation shows that the Li+ motion appears to be easier mainly along the b-axis direction and that this material may possess interesting conduction properties.
The investigated compound is the only arsenic member of the isotypic analogues LiM2X3O10 (M = Fe, Co, Ni; X = P, As; Erragh et al., 1996; Ramana et al., 2006). For bond-valence-sum analysis, see: Brown (2002); Adams (2003). For the charge-distribution method, see: Nespolo (2001); Nespolo et al. (2001); Guesmi et al. (2006). For BVS pathway simulation, see: Mazza (2001); Ouerfelli et al. (2007). For a related compound, see: Satya Kishore & Varadaraju (2006).
Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1995); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: DIAMOND (Brandenburg, 2001); software used to prepare material for publication: WinGX (Farrugia, 2012) and publCIF (Westrip, 2010).
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2224 ).
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