{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["71(Pt 5)"],"submitter":["Bouraima A"],"pubmed_abstract":["The title compound, Na2Co2Fe(PO4)3, was synthesized by a solid-state reaction. This new stoichiometric phase crystallizes in an alluaudite-like structure. In this structure, all atoms are in general positions except for four atoms which are located at the special positions of the C2/c space group. One Co atom, one P and one Na atom are all located on Wyckoff position 4e (2), while the second Na atom is located on an inversion centre 4a (-1). The other Co and Fe atoms occupy a general position with a statistical distribution. The open framework results from [(Co,Fe)2O10] units of edge-sharing [(Co,Fe)O6] octa-hedra, which alternate with [CoO6] octa-hedra that form infinite chains running along the [10-1] direction. These chains are linked together through PO4 tetra-hedra by the sharing of vertices so as to build layers perpendicular to [010]. The three-dimensional framework is accomplished by the stacking of these layers, leading to the formation of two types of tunnels parallel to [010] in which the Na(+) cations are located, each cation being surrounded by eight O atoms."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["558-60"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC4420128"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure of disodium dicobalt(II) iron(III) tris-(orthophosphate) with an alluaudite-like structure."],"pmcid":["PMC4420128"],"pubmed_authors":["El Ammari L","Saadi M","Bouraima A","Assani A","Makani T"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure of disodium dicobalt(II) iron(III) tris-(orthophosphate) with an alluaudite-like structure.","description":"The title compound, Na2Co2Fe(PO4)3, was synthesized by a solid-state reaction. This new stoichiometric phase crystallizes in an alluaudite-like structure. In this structure, all atoms are in general positions except for four atoms which are located at the special positions of the C2/c space group. One Co atom, one P and one Na atom are all located on Wyckoff position 4e (2), while the second Na atom is located on an inversion centre 4a (-1). The other Co and Fe atoms occupy a general position with a statistical distribution. The open framework results from [(Co,Fe)2O10] units of edge-sharing [(Co,Fe)O6] octa-hedra, which alternate with [CoO6] octa-hedra that form infinite chains running along the [10-1] direction. These chains are linked together through PO4 tetra-hedra by the sharing of vertices so as to build layers perpendicular to [010]. The three-dimensional framework is accomplished by the stacking of these layers, leading to the formation of two types of tunnels parallel to [010] in which the Na(+) cations are located, each cation being surrounded by eight O atoms.","dates":{"release":"2015-01-01T00:00:00Z","publication":"2015 May","modification":"2025-04-27T00:56:27.484Z","creation":"2019-03-27T01:51:01Z"},"accession":"S-EPMC4420128","cross_references":{"pubmed":["25995879"],"doi":["10.1107/S2056989015007926"]}}