Structure of the Monoclinic-Form Misfit-Layer Compound, (CaH)CoO (α ≈ 0.57822).
The incommensurate modulated crystal structure of the new misfit-layer calcium cobalt oxide (CaOH)CoO was investigated using a superspace-group formalism with synchrotron X-ray diffraction data. The compound is a kind of composite crystal that consists of two interpenetrating subsystems, [CoO] layer...
| Publicado en: | Journal of the American Chemical Society Vol. 129; no. 47; pp. 14585 - 14597 |
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| Autores principales: | , , , , |
| Formato: | Artículo |
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American Chemical Society
11/28/2007
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |
| fields | @attributes: recordID: 1 pdfLink: plink: https://search.ebscohost.com/login.aspx?direct=true&db=hlh&AN=27870195&site=ehost-live header: @attributes: shortDbName: hlh uiTerm: 27870195 longDbName: Humanities International Complete uiTag: AN controlInfo: bkinfo: jinfo: jid: 00027863 ACS jtl: Journal of the American Chemical Society issn: 00027863 maglogo: N pubinfo: dt: 11/28/2007 vid: 129 iid: 47 pid: 997 pub: American Chemical Society artinfo: ui: 27870195 10.1021/ja072052v ppf: 14585 ppct: 12 formats: tig: atl: Structure of the Monoclinic-Form Misfit-Layer Compound, (CaH)CoO (α ≈ 0.57822). aug: au: Isobe, Masaaki Onoda, Mitsuko Shizuya, Mitsuyuki Tanaka, Masahiko Takayama-Muromachi, Eiji affil: National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan su: Calcium Cobalt Oxides Optical diffraction Organic compounds sug: subj: Calcium Cobalt Oxides Optical diffraction Organic compounds ab: The incommensurate modulated crystal structure of the new misfit-layer calcium cobalt oxide (CaOH)CoO was investigated using a superspace-group formalism with synchrotron X-ray diffraction data. The compound is a kind of composite crystal that consists of two interpenetrating subsystems, [CoO] layers containing triangular lattices formed by edge-sharing CoO octahedra, separated from each other by [2CaOH] double-layered rock-salt-type slabs. Both the subsystems are monoclinic lattices with the unit cell parameters, a = 2.81 80(4) Å, b = 4.8938(6) Å, c = 8.810(1) Å, α = 95.75(3)°, and α(=∣q∣=a/a) = 0.57822(8), viz., a = 4.8736 Å, with Z= 2. A possible superspace group is C2/m(α10)s0-C2/m(α10) for the respective subsystems. The atomic positions deviate from the average positions of the fundamental structure due to the incommensurable periodic interaction between the subsystems. A significant structural modulation was found in the [2CaOH] subsystem, whereas the modulation in the [CoO] subsystem is less than in [CaOH], due to the tight bonding of the close-packed CoO octahedra. The degree of modulation in the CoO layers, i.e., the potential modulation, is almost the same as those of other compounds of the misfit-layer cobalt oxides. Flattened CoO octahedra indicate hole doping into the CoO layers. The [2CaOH] blocks act as the charge reservoir layers, and the defect Ca ions are presumably the source of the holes. pubtype: Academic Journal doctype: Article src: R language: English refInfo: copyright: @attributes: flag: Y dt: @attributes: year: 2007 holdings: @attributes: islocal: N |
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