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  • 1
    Electronic Resource
    Electronic Resource
    Ein neues Oxotantalat(V): Über KLi6[TaO6] [1]Professor Hartmut Bärnighausen zum 60. Geburtstage gewidmet (1993)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 619 (1993), S. 337-342 
    Details
    ISSN: 0044-2313
    Keywords: Alkali oxotantalate(V), KLi6[TaO6] ; single crystals ; crystal structure ; MAPLE-charge distribution ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: A New Oxotantalate(V): On KLi6[TaO6] [1]For the first time hitherto unknown KLi6[TaO6] was obtained by intimately pulverized mixtures of K2O, Li2O and Ta2O5 (molar ratio K:Li:Ta = 1.1:6.6:1) in a closed Ni-cylinder (800°C, 30 d) in form of colourless single crystals; trigonal-rhomboedral (space group R3m) with a = 822.6(1) pm, c = 721.2(1) pm (Guinier-Simonpowder data), Z = 3. The determination of the crystal structure (four cycle diffractometer data, 224 out of 224 I0 (hkl), R = 1.80%, Rw = 1.79%, absorption not considered) proves that KLi6[TaO6] is isotypic with KLi6[IrO6], a stuffed derivative of the α-Li6[UO6] structure type.The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, the latter derived from Mean Effective Ionic Radii, MEFIR, as well as the Charge Distribution, CHARDI, are calculated and discussed.
    Notes: Erstmals wurde mit KLi6[TaO6] durch Tempern inniger Gemenge von K2O, Li2O und Ta2O5 (molares Verhältnis vor dem Verreiben: K:Li:Ta = 1,1:6,6:1) in einem verschlossenen Ni-Zylinder (800°C, 30 d) ein quaternäres Alkalioxotantalat(V) in Form farbloser Einkristalle dargestellt; trigonal-rhomboedrisch (Raumgruppe R3m) mit a = 822,6(1) pm, c = 721,2(1) pm (Guinier-Simon-Pulverdaten); Z = 3. Die Strukturaufklärung (Vierkreisdiffraktometerdaten, 224 von 224 I0 (hkl); R = 1,80% bzw. Rw = 1,79%, Absorption nicht berücksichtigt) belegt die Isotypie mit KLi6[IrO6], einer aufgefüllten Varianten des α-Li6UO6-Typs.Der Madelunganteil der Gitterenergie, MAPLE, und Effektive Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, sowie die Ladungsverteilung ‚CHARDI‘ wurden berechnet und diskutiert.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19936190218
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  • 2
    Electronic Resource
    Electronic Resource
    Zur kenntnis ‚Kationen-reicher‘ Tantalate und Niobate Über Na5TaO5 und Na5NbO5 (1992)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 614 (1992), S. 38-46 
    Details
    ISSN: 0044-2313
    Keywords: Na5TaO5 ; Na5NbO5 ; single crystals ; structure ; MAPLE ; bond length bond strength ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Tantalates and Niobates ‘rich in Cations’. On Na5TaO5 and Na5NbO5Colourless, transparent single crystals of Na5TaO5 [annealed mixtures of Na2O, Li2O, and Ta2O5, Na : Li : Ta = 6.6 : 1.1 : 1, Ni-cylinder, 1000°C, 75 d] as well as Na5NbO5 [annealed mixtures of Na2O, Li2O, and Nb2O5, Na : Li : Nb = 6.6 : 1.1 : 1, Ni-cylinder, 1000°C, 75 d] have been prepared. Single crystal data show that both isotypic oxides represent a deformed variant of the NaCl-type of structure [Na5TaO5: 1154 from 1250 I0 (hkl), four-cycle diffractometer Philips PW 1100, ω2-θ scan, Ag—Kα, R = 4.88%, space group c2/c with a = 629.3(1) pm, b = 1025.4(2) pm, c = 1004.6(2) pm, b̃ 106.80(2)°, z = 4 and Na5NbO5: 998 from 1247 I0(hkl), four-cycle diffractometer Philips PW 1100, ω-2θ scan, Ag—Kα, R = 8.58% and Rw = 7.67%, space group C2/2 with a = 629.1(1) pm, b = 1024.4(2) pm, c = 1004.2(2) pm, b̃ = 106.80(2)°, Z = 4].The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, the latter derived from Mean Effective Fictive Ionic Radii, MEFIR, as well as Charge Distribution, CHARDI, are calculated.
    Notes: Erstmals wurden farblose, transparente Einkristalle von Na5TaO5 [aus innigen Gemengen von Na2O, Li2O5 und Ta2O5, Einwaage vor dem Verreiben: Na : Li : Ta = 6,6 : 1,1 : 1, Ni-Zylinder, 1000°C, 75 d] sowie erneut solche von Na5NbO5 [aus Gemengen von Na2O, Li2O und Nb2O5, Na : Li : Nb = 6,6 : 1,1 : 1, Ni-Zylinder, 1000°C, 75 d] dargestellt. Nach Einkristalluntersuchungen liegt bei den beiden isotypen Oxiden eine Ordnungsvariante des NaCl-Typs [Na5TaO5: 1154 von 1250 I0(hkl), Vierkreisdiffraktometer Philips PW 1100, ω-2θ scan, Ag—Kα, R = 4,88%, Raumgruppe C2/c mit a = 629,3(1) pm, b = 1025,4(2) pm, c = 1004,6(2) pm, b̃ = 106,80(2)° (Guinier-Simon-Daten), Z = 4 bzw. Na5NbO5: 998 von 1247 I0(hkl), Vierkreisdiffraktometer Philips PW 1100, ω-2θ scan, Ag—Kaα, R = 8,58% und Rw = 7,67%, Raumgruppe C2/c mit a = 629,1(1) pm, b = 1024,4(2) pm, c = 1004,2(2) pm, b̃ = 106,80(2)° (Guinier-Simon-Pulverdaten), Z = 4] vor.Der Madelunganteil der Gitterenergie, MAPLE, und Effektive Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, sowie die Ladungsverteilung ‚CHARDI‘ wurden berechnet.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19926140809
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  • 3
    Electronic Resource
    Electronic Resource
    Oxometallate neuen Typs: Über Ba3NaNbO6 und Ba3NaTaO6 (1992)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 617 (1992), S. 45-52 
    Details
    ISSN: 0044-2313
    Keywords: Ba3NaNbO6 ; Ba3NaTaO6 ; single crystals ; crystal structure ; MAPLE calculation ; charge distribution ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Oxometallates of a new Type: On Ba3NaNbO6 and Ba3NaTaO6For the first time in form of colourless, transparent single crystals of Ba3NaNbO6 [annealed mixtures of BaO, Na2O and Nb2O5, Ba : Na : Nb = 3.3 : 1.1 : 1, Ni-cylinder, 1100°C, 3d] as well as Ba3NaTaO6 [annealed mixtures of BaO, Na2O and Ta2O5, Ba : Na : Ta = 3.3 : 1.1 : 1, Ni-cylinder, 1100°C, 3d] have been prepared.The crystal structure was solved by fourcycle-diffractometer data [Ba3NaNbO6: Mo—Kα, 356 out 356 I0 (hkl), space group R3c with a = 1026.6(1)pm, c = 1195.3(2)pm (Guinier-Simon powder data), Z = 6, R = 2.4%, Rw = 2.0% and Ba3NaTaO6: Ag—Kα, 498 out of 498 I0 (hkl), space group R3c with a = 1027.6(1)pm, c = 1196.0(2)pm (Guinier-Simon powder data), Z = 6, R = 4.9%, Rw = 4.4%], parameters see text.The Ba3M part of structure (M = Nb, Ta) corresponds to a slightly (hexagonal) deformed Nb3Al arrangement with Na inserted along [001] between adjacent Mv, which are nearly perfectly octahedrally surrounded by 6 O.The structural relations are deduced by Schlegel Diagrams. The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, the latter derived from Mean Effective Ionic Radii, MEFIR, as well as Charge Distribution, CHARDI, are calculated.
    Notes: Erstmals wurde in Form farbloser, transparenter Einkristalle Ba3NaNbO6 [aus innigen Gemengen von BaO, Na2O und Nb2O5, Einwaage vor dem Verreiben: Ba : Na : Nb = 3,3 : 1,1 : 1, Ni-Zylinder, 1100°C, 3d] sowie Ba3NaTaO6 [aus Gemengen von BaO, Na2O und Ta2O5, Ba : Na : Ta = 3,3 : 1,1 : 1, Ni-Zylinder, 1100°C, 3d] dargestellt.Die Kristallstruktur wurde mittels Vierkreisdiffraktometerdaten [Ba3NaNbO6: Mo—Kα, 356 von 356 I0 (hkl), Raumgruppe R3c mit a = 1026,6(1)pm, c = 1195,3(2)pm (Guinier-Simon-Pulverdaten), Z = 6, R = 2,4%, Rw = 2,0% bzw. Ba3NaTaO6: Ag—Kα, 498 von 498 I0 (hkl), Raumgruppe R3c mit a = 1027,6(1)pm, c = 1196,0(2)pm (Guinier-Simon-Pulverdaten), Z = 6, R = 4,9%, Rw = 4,4%] aufgeklärt, Parameter siehe Text.Dem Ba3M-Teil beider Oxide (M = Nb, Ta) liegt eine leicht (hexagonal) verzerrte Variante des Nb3Al-Typs zugrunde. Na besetzt entlang [001] Positionen zwischen benachbarten, fast exakt oktaedrisch von 6 O2- koordinierten Mv.Die strukturellen Zusammenhänge werden aus den Schlegel-Diagrammen abgeleitet. Der Madelunganteil der Gitterenergie, MAPLE, und Effektive Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, sowie die Ladungsverteilung ‚CHARDI‘ wurden berechnet.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19926170108
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