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  • Crystal Structure  (9)
  • MAPLE calculations  (4)
  • Schlegel Diagrams  (2)
  • 1
    Electronic Resource
    Electronic Resource
    Ein neues Metagermanat: RbK[GeO3]-oligomere (Rb2GeO3) oder polymere (K2GeO3) Anionen [1]? (1993)
    Springer
    Monatshefte für Chemie 124 (1993), S. 529-537 
    Details
    ISSN: 1434-4475
    Keywords: Alkali metal metagermanate ; Crystal structure ; MAPLE calculations
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary By heating a well ground mixture of the binary oxides RbO0.59, KO0.55 and GeO2[Rb:K:Ge=3.1:2.8:2; Ni-tube; 550 °C (27d) and 450 °C (22d)] colourless single crystals of Rb2K2[(GeO3)2] were obtained for the first time: space group Pnma witha=1322.51(14) pm,b=557.25(5) pm,c=1155.09(5) pm. The structure was determined by four-circle diffractometer data [Mo- $$K_{\bar \alpha }$$ , 1311 from 1362I 0(hkl),R=4.0%,R w =2.6%]. The Madelung Part of Lattice Energy, MAPLE, and the Effective Coordination Numbers, ECoN, the latter via Mean Fictive Ionic Radii, MEFIR, have been calculated.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00819521
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  • 2
    Electronic Resource
    Electronic Resource
    Ein neues Oxoberyllat: K2Na4[O2BeOBeO2]Frau Professor Marianne Baudler zum 70. Geburtstage am 27. April 1991 gewidmet (1991)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 594 (1991), S. 87-94 
    Details
    ISSN: 0044-2313
    Keywords: Potassium Sodium Oxoberyllate ; Single Crystal Structure ; Schlegel Diagrams ; MAPLE Calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On K2Na4[O2BeOBeO2]For the first time colourless single crystals of K2Na4[Be2O5] which are isotypic with K2Na4[Co2O5] [2] and Rb2Na4[Co2O5] have been prepared by heating e.g. a well ground mixture of K2O, Na2O and BeO (K:Na:Be = 2.2:4.4:2; 750°C; 21 d; Ni-tube). The crystal structure was solved by four-circle diffractometer data [Siemens AED 2; 389 Io(hkl); space group P42/mnm; Z = 2; a = 595.17(4) pm, c = 1 002.66(9) pm; R = 4.1%; Rw = 2.3%].Mean Fictive Ionic Radii, MEFIR, Effective Coordination Numbers, ECoN, the Madelung Part of Lattice Energy, MAPLE, and the charge distribution are calculated.
    Notes: Erstmals wurde K2Na4[Be2O5], mit K2Na4[Co2O5] [2] und Rb2Na4[Co2O5] isotyp, in Form farbloser Einkristalle aus Gemengen von K2O, Na2O und BeO (K:Na:Be=2,2:4,4:2; 750°C; 21 d; Ni-Bombe), dargestellt. Die Kristallstruktur wurde über Vierkreisdiffraktometerdaten [Siemens AED 2; 389 Io(hkl); Raumgruppe P42/mnm; Z = 2; a = 595,17(4) pm, c = 1 002,66(9)pm; R = 4,1%; Rw = 2,3%] aufgeklärt. Mittlere Fiktive Ionenradien, MEFIR, Effektive Koordinationszahlen, ECoN, der Madelunganteil der Gitterenergie, MAPLE, sowie die Ladungsverteilung, wurden berechnet.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19915940110
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  • 3
    Electronic Resource
    Electronic Resource
    Zur Isotypie von Titanaten mit Silicaten: Über Cs2Li2[SiO4] und Cs2Li2[TiO4]Professor Josef Goubeau in memoriam (1991)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 593 (1991), S. 17-34 
    Details
    ISSN: 0044-2313
    Keywords: Cesium Lithium Orthotitanate, Silicate ; Crystal Structure ; Schlegel Diagrams ; MAPLE Calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Isotypism of Titanates and Silicates: About Cs2Li2[SiO4] and Cs2Li2[TiO4]For the first time colourless single crystals of Cs2Li2[SiO4] have been prepared by heating of a well ground mixture of the binary oxides CsO0.67, LiO0.5 and SiO2[Cs:Li:Si = 2.2:2.0:1.0; 450°C; 21 d] in tightly closed Ni tubes. The new oxosilicate crystallizes triclinic (space group P1 with a = 959.6(3), b = 577.4(2), c = 558.1(2) pm, α = 92.52(3)°, β = 110.93(3)°, γ = 94.45(3)°, Guinier-Simon powder data). The crystal structure was determined by four-circle diffractometer data [Siemens AED 2, 1612 I°(hkl), Z = 2, R = 7.2%, Rw = 6,5%], parameters see text.Cs2Li2[TiO4] has also been prepared as colourless single crystalls from CsO0.56, LiO0.5 und TiO2 (Cs:Li:Ti = 2.3:2.2:1.0; 650°C; 68 d, Ni tube) and investigated by x-ray [four-circle diffractometer data, Philips PW 1100, 2193 from 2383 I°(hkl). Z = 2, R = 7.6%, Rw = 6.1%, space group P1 with a = 951.0(1), b = 594.5(1), c = 582.6(1) pm, α = 93.11(1)°, β = 110.37(1), γ = 95.04(1)°, Guinier-Simon powder data]. The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, these via Mean Fictive Ionic Radii, MEFIR, have been calculated. A detailed comparison of the structures is carried out.
    Notes: Erstmals wurden farblose Einkristalle von Cs2Li2[SiO4] durch Tempern inniger Gemenge der binären Oxide CsO0,67, LiO0,5 und SiO2 [Cs:Li:Si = 2,2:2,0:1,0; 450°C; 21 d] in fest verschlossenen Ni-Bömbchen erhalten. Es liegt Isotypie mit Rb2Li2[MO4] (M = Si, Ge, Ti) vor: triklin (Raumgruppe P1) mit a = 959,6(3) pm, b = 577,4(2) pm, c = 558,1(2) pm, α = 92,52(3)°, β = 110,93(3)°, γ = 94,45(3)°, (Guinier-Simon-Daten). Die Kristallstruktur wurde mittels Vierkreisdiffraktometerdaten aufgeklärt [Siemens AED 2, 1612 I°(hkl), Z = 2, R = 7,2%, Rw = 6,5%], Parameter siehe Text.Ebenfalls neu wurde Cs2Li2[TiO4] in Form farbloser Einkristalle durch Tempern inniger Gemenge von CsO0,56, LiO0,5 und TiO2 [Cs:Li:Ti = 2,3:2,2:1,0; 650°C; 68 d, Ag-Bömbchen] dargestellt und röntgenographisch untersucht. Die Strukturverfeinerung [Vierkreisdiffraktometerdaten, Philips PW 1100, 2193 von 2383 I°(hkl), Z = 2, R = 7,6%, Rw = 6,1%, Raumgruppe P1 mit a = 951,0(1) b = 594,5(1), c = 582,6(1) pm, α = 93,11°(1), β = 110,37(1)°, γ = 95,04(1)° Guinier-Simon-Daten] bestätigt auch hier Isotypie mit Rb2Li2[SiO4]. Der Madelunganteil der Gitterenergie, MAPLE, sowie Effektive Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, wurden berechnet. Für die nun bekannten Vertreter dieses Typs wurde ein Isotypievergleich vorgenommen.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19915930104
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  • 4
    Electronic Resource
    Electronic Resource
    Ketten aus Ringen: K5{Li[Ge2O7]}  -  das erste „Litho-Digermanat“Professor Ulrich Wannagat zum 70. Geburtstage gewidmet. (1993)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 619 (1993), S. 811-818 
    Details
    ISSN: 0044-2313
    Keywords: Alkali metal digermanate ; preparation ; crystal structure ; MAPLE calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Chains consisting of Rings: K5{Li[Ge2O7]}  -  the First ‘Litho-Digermanate’By heating of a well-ground mixture of the binary oxides KO0.55, Li2O and GeO2 (K: Li: Ge = 6.1 : 2.2 : 2; Ni-tube; 600°C; 49 d) we obtained for the first time single crystals of K5{Li[Ge2O7]}. This ‘lithodigermanate’ represents a completely new type of structure: monoclinic, space group P21/c, a = 624.9(2) pm, b = 1586.6(8) pm; c = 1058.3(6) pm and β = 109.38(4)°; Guinier-Simon data, Z = 4. The structure was solved by four-circle diffractometer data [Siemens AED II, Mo—Kα; 2872 Io(hkl); R = 4.5%, Rw = 3.3%], parameters see text. The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, these calculated via Mean Fictive Ionic Radii, MEFIR, as well as charge distribution CHARDI, are calculated and discussed.
    Notes: Durch Tempern inniger Gemenge der binären Oxide KO0,55, Li2O und GeO2 (K: Li: Ge = 6,1: 2,2: 2; Ni-Bömbchen; 600°C; 49 d) wurden erstmals Kristalle von K5{Li[Ge2O7]} erhalten. Das „Litho-Digermanat“ repräsentiert einen völlig neuen Strukturtyp, der „Ketten aus Ringen {Li[Ge2O7]5}“ enthält (monoklin, Raumgruppe P21/c mit a = 624,9(2) pm, b = 1 586,6(8) pm; c = 1058,3(6) pm und β = 109,38(4)°; Guinier-Simon Daten, Z = 4). Die Struktur wurde mittels Vierkreisdiffraktometerdaten [Siemens AED II; Mo—Kα; 2872 Io(hkl); R = 4,5%; Rw = 3,3%] bestimmt, Parameter siehe Text. Der Madelunganteil der Gitternergie, MAPLE, und Effektive Koordinationszahlen, ECoN, diese über Mittlere Fiktive Ionenradien, MEFIR, sowie die Ladungsverteilung CHARDI werden berechnet und diskutiert.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19936190502
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  • 5
    Electronic Resource
    Electronic Resource
    Das neue Orthotitanat CsNa3[TiO4] (1996)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 622 (1996), S. 1715-1720 
    Details
    ISSN: 0044-2313
    Keywords: Caesium Sodium Orthotitanate ; CsNa3[TiO4] ; Crystal Structure ; MAPLE, CHARDI ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: The New Orthotitanate CsNa3[TiO4]Colourless, square stonelike single crystals of CsNa3[TiO4] [1], isostructural with CsNa3[PbO4] [2], are obtained by heating a well grounded mixture of the binary oxides CsO0,56, NaO0,52 and TiO2 (Cs : Na : Ti = 1,1:3,1:1,0) in Nitubes (9d, 400°C).The structure determination by using four-circle diffactometer data (Siemens AED2, 5541 Io(hkl), MoKα-) leads to the residual-values R = 8.8% and Rw = 4.7%. Lattice constants (triclinic, Cmca, P1, Z = 4, four-circle diffactometer data, MoKα-: a = 1161.2(6) pm, b = 854.9(3) pm, c = 651.1(3) pm, α = 100.52(2)°, β = 108.84(3)°, γ = 91.61(3)°; additional data see text).The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution in Solids (CHARDI) are calculated and discussed.
    Notes: Farblose quaderförmige Einkristalle von CsNa3[TiO4] [1], isotyp zu CsNa3[PbO4] [2], wurden durch Tempern inniger Gemenge der binären Oxide CsO0,56, NaO0,52 und TiO2 (Cs:Na:Ti = 1,1:3,1:1,0) in Ni-Zylindern (9 d, 400°C) erhalten.Die Strukturaufklärung mittels Vierkreisdiffraktometerdaten (Siemens AED2, 5541 Io(hkl), MoKα-) führte zu den Residualwerten R = 8,8% und Rw = 4,7%. Gitterkonstanten (triklin, P1, Z = 4, Vierkreisdiffraktometerdaten, MoKα-: a = 1161,2(6) pm, b = 854,9(3)pm, c = 651,1(3) pm, α = 100,52(2)°, β = 108,84(3)°, γ = 91,61(3)°, weitere Daten siehe Text).Der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinationszahlen (ECoN), Mittlere Fiktive Ionenradien (MEFIR) sowie die Ladungsverteilung (CHARDI) wurden berechnet und diskutiert.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19966221015
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  • 6
    Electronic Resource
    Electronic Resource
    Neue Vertreter des A2A3′[MO4]-Typs: Rb2Na3[InO4], Cs2Na3[InO4] und Cs2Na3[TlO4] [1]Professor Kurt Dehnicke zum 60. Geburtstage gewidmet (1991)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 595 (1991), S. 95-114 
    Details
    ISSN: 0044-2313
    Keywords: A2A3′[MO4]-type oxides (M = In, Tl; A = Rb, Cs; A′ = Na) single crystal structures ; MAPLE calculations ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: New Examples of the A2A3′[MO4] Type: Rb2Na3[InO4], Cs2Na3[InO4], and Cs2Na3[TlO4]By exchange reactions the first examples of the A2A3′[MO4]-type with M = In, Tl and A = Rb, Cs Rb2Na3[InO4], Cs2Na3[InO4], and Cs2Na3[TlO4] were prepared in form of single crystals.(a)Rb2Na3[InO4]: colourless single crystals; heating intimate mixtures of a-Na5InO4 and Rb2O (Rb : In = 2.8 : 1, sealed Ni-tube; 300°C, 2 d; 620°C, 16 d), orthorhombic (Pnnm) with a = 971.1 (1), b = 950.0(1), c = 745.9 (1) pm, Z = 4; four-circle diffractometer data (Siemens AED 2, Mo-Kα, 9782Io(hkl), R = 5.7%, Rw = 4.5%). The new compound is isotypic to Na2Li3[GaO4] and K2Na3[InO4].(b)Cs2Na3[InO4]: light yellow single crystals; heating intimate mixtures of a-Na5InO4 and Cs2O (Cs : In = 5.0 : 1, sealed Au-tube, 260°C, 10 d; 600°C, 30 d), monoclinic (P21/c) with a = 634.8, b = 1026.7, c = 1254.6 pm, β = 111.52°, Z = 4, four-circle diffractometer data (Philips PW 1100, Ag-Kα, 6506 Io(hkl), R = 8.6%, Rw = 5.5%). The new compound is isotypic to K2Li3[GaO4].(c)Cs2Na3[TlO4]: orange single crystals, heating intimate mixture of a-Na5TlO4 and Cs2O (Cs : Tl = 2.3 : 1, sealed Ag-tube, 280°C, 3 d; 580°C, 30 d), monoclinic (P21/c) with a = 642.0, b = 1018.2, c = 1264.5 pm, β = 111.12°, Z = 4, four-circle diffractometer data (Philips PW 1100, Ag-Kα), 6391 Io(hkl), R = 15.4%, Rw = 9.1%). The new compound is isotypic to Cs2Na3[InO4].The Madelung part of lattice energy, MAPLE, and charge distributions for the three new oxides are calculated and discussed.
    Notes: Über Austauschreaktionen wurden mit Rb2Na3[InO4], Cs2Na3[InO4] und Cs2Na3[TlO4] die ersten Vertreter des Typs A2A3′[MO4] mit M = In bzw. Tl und A = Rb oder Cs in Form von Einkristallen dargestellt.(a)Rb2Na3[InO4]: farblose Einkristalle; Tempern inniger Gemenge von a-Na5InO4 und Rb2O (Rb : In = 2,8: 1; Ni-Bombe; 300°C, 2d; 620°C, 16d; orthorhombisch, Pnnm; a = 971,1 (1), b = 950,0 (1), c = 745,9 (1) pm; Z = 4; Vierkreisdiffraktometerdaten (Siemens AED 2; Mo - Kα; 9782 Io (hkl); R = 5,7%, Rw = 4,5%). Es liegt Isotypie zu Na2Li3[GaO4] und K2Na3[InO4] vor.(b)Cs2Na3[InO4]: hellgelbe Einkristalle; Tempern inniger Gemenge von a-Na5InO4 und Cs2O (Cs : In = 5,0 : 1; Au-Rohr; 260°C, 10 d; 600°C, 30 d); monoklin (P21/c) mit a = 634,8, b = 1026,7; c = 1254,6 pm, β = 111,52°; Z = 4; Vierkreisdiffraktometerdaten (Philips PW 1100, Ag-Kα, 6506 Io(hkl), R = 8,6%, Rw = 5,5%). Es liegt Isotypie zu K2Li3[GaO4] vor.(c)Cs2Na3[TlO4]: orangerote Einkristalle; Tempern inniger Gemenge von a-Na5TlO4 und Cs2O (Cs : Tl = 2,3 : 1; Ag-Bombe; 280°C, 3 d; 580°C, 30 d); monoklin (P21/c) mit a = 642,0, b = 1018,2, c = 1264,5 pm; β = 111,12°; Z = 4; Vierkreisdiffraktometerdaten (Philips PW 1100; Ag-Kα, 6391 Io(hkl), R = 15,4%, Rw = 9,1%). Die neue Verbindung ist isotyp zu Cs2Na3[InO4].Der Madelunganteil der Gitterenergie, MAPLE, und die Ladungsverteilung für die drei neuen Oxide werden berechnet und diskutiert.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19915950111
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  • 7
    Electronic Resource
    Electronic Resource
    Unerwartete Strukturverwandtschaft: Das neue Orthotitanat Rb3Na[TiO4]Professor Herbert Jacobs zum 60. Geburtstag gewidmet (1996)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 622 (1996), S. 603-610 
    Details
    ISSN: 0044-2313
    Keywords: Rb3Na[TiO4] ; Rubidium Sodium Orthotitanate ; Crystal Structure ; MAPLE ; CHARDI ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On Unexpected Structural Relations: The New Orthotitanate Rb3Na[TiO4] [1]The new oxide Rb3Na[TiO4], platelike colourless crystals, was obtained by heating a well grounded mixture of the binary oxides in Ni-tubes. Therewith the oxides RbO0.52, NaO1.03, Ti2O3 (Rb:Na:Ti = 2.8:2.5:1.0) were heated for 26 d at 1000°C. Rb3Na[TiO4] (monoclinic, P21/c) is “isostructural” with Rb3Na[PbO4] [2] (lattice constants: a = 1076.3(3) pm, b = 638.8(4) pm, c = 1088.9(7) pm, β = 112.83(12)°; four-circle diffractometer data, Z = 4). The structure was determinated by using four-circle diffractometer data (Siemens AED2, 6683 I0(hkl), MoKα, R = 6.2%, Rw = 3.8%, additional data see text). The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution in Solids are calculated and discussed.
    Notes: Das neue Oxid Rb3Na[TiO4], farblose plättchenförmige Kristalle, wurde durch Tempern inniger Gemenge der binären Oxide in Ni-Zylindern erhalten. Dazu wurden die Oxide RbO0,52, NaO1,03 und Ti2O3 (Rb: Na: Ti = 2,8:2,5:1,0) 26 d bei 1000°C getempert. Rb3Na[TiO4] (monoklin, P21/c) ist „isotyp“ zu Rb3Na[PbO4] [2] (Gitterkonstanten: a = 1076,3(3) pm, b = 638,8(4) pm, c = 1088,9(7) pm, β = 112,83(12)°; Vierkreisdiffaktometerdaten, Z = 4). Die Aufklärung der Struktur erfolgte mit Vierkreisdiffraktometerdaten (Siemens AED2, 6683 I0(hkl), MoKα, R = 6,2%, Rw = 3,8%, weitere Daten siehe Text). Der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinationszahlen (ECoN), Mittlere Fiktive Ionenradien (MEFIR) sowie die Ladungsverteilung (CHARDI) wurden berechnet und diskutiert.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19966220405
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  • 8
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    Electronic Resource
    Zum Aufbau von PbF4 mit Strukturverfeinerung an SnF4 (1996)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 622 (1996), S. 1557-1563 
    Details
    ISSN: 0044-2313
    Keywords: Tin and Lead Tetrafluoride ; Synthesis ; Crystal Structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: On the Constitution of PbF4 with Structure Refinement of SnF4Colourless single crystals of SnF4 have been prepared heating powder samples of SnF4 in Pt-tubes (500°C, 20 d). Single crystals of PbF4 could be synthesized by pressure fluorination of «PbF4-x» and sublimation in autoclaves. The fluorides crystallize isostructural in space group I4/mmm with SnF4: a = 404.42(4) pm; c = 792.41(9) pm; Z = 2 and PbF4: a = 425.36(8) pm; c = 806.4(1) pm; Z = 2 (Guinier-de Wolff data, Cu-Kα1). The parameters ZF2 of both fluorides were refined from four-circle diffractometer data (Siemens AED 2) with SnF4: R1 = 1.5%; 1623 I0(hkl) and PbF4: R1 = 1.0%; 777 I0(hkl) (SHELXL-93). The structures correspond to the supposition by Hoppe and Dähne from 1962. The Madelung Part of Lattice and Molecule Energy, MAPLE and MAPME, Mean Fictive Ionic Radii, MEFIR, and Effective Coordination Numbers, ECoN, are calculated.
    Notes: Farblose Einkristalle von SnF4 wurden durch Tempern mikrokristalliner Proben in Pt-Rohr (500°C, 20 d), von PbF4 durch Druckfluorierung von ‚PbF4-x‘ und Sublimation im Fluorautoklaven bei 400°C erhalten. Die Fluoride kristallisieren isotyp in der tetragonalen Raumgruppe I4/mmm mit SnF4: a = 404,42(4) pm; c = 792,41(9) pm; Z = 2 und PbF4: a = 425,36(8) pm; c = 806,4(1) pm; Z = 2 (Guinier-de Wolff-Daten, Cu-Kα1). Die Parameter ZF2 wurden für beide Fluoride anhand von Vierkreisdiffraktometerdaten (Siemens AED 2) mit SnF4: R1 = 1,5%; 1623 I0(hkl) und PbF4: R1 = 1,0%; 777 I0(hkl) (SHELXL-93) verfeinert. Der Aufbau entspricht dem bereits 1962 von Hoppe und Dähne gemachten Vorschlag. Die Madelunganteile der Gitter- bzw. ‚Molekel‘-Energie, MAPLE bzw. MAPME, Mittlere Fiktive Ionenradien, MEFIR, sowie Effektive Koordinationszahlen, ECoN, werden berechnet.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/zaac.19966220919
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  • 9
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    Was heißt eigentlich Festkörper??. Neue molekulare Aspekte am Beispiel Rb2[TiO3] [1], [2]Professor Wolfgang Jeitschko zum 60. Geburtstag gewidmet (1996)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 622 (1996), S. 1019-1026 
    Details
    ISSN: 0044-2313
    Keywords: Rb2TiO3 ; Rubidium Metatitanate ; Crystal Structure ; MAPLE ; CHARDI ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: What does Solid State Mean?. New Molecular Aspects on the Example of Rb2[TiO3] [1], [2]Rb2TiO3 [3], parent type of the oxides K2CoO3, Rb2CoO3 and Cs2CoO3 [4], colourless crystals, needles, was newly obtained by heating a well grounded mixture of the binary oxides RbO0.98, RbO0.52, Ti2O3 (molar ratio = 2.4:6.2:1.0) 41 d at 780°C in Ni-Tubes.The first structure determination by using four-circle diffractometer data (Siemens AED2, 5366 Io(hkl), MoKα) leads to the residual-values R = 7.9% and Rw = 3.7%. Lattice constants (orthorhombic, Cmca, Z = 8, Guinier-Simon-data, CuKα1): a = 596.5(1) pm, b = 1185.2(1) pm, c = 1326.6(1) pm (additional data see text). The structure determination 1974 by filmdata is confirmed.The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution in Solids (CHARDI) are calculated and discussed.
    Notes: Rb2TiO3, [3], strukturell Muttertyp von Oxiden wie K2CoO3, Rb2CoO3 und Cs2CoO3 [4], farblose nadelförmige Kristalle, wurde durch 41tägiges Tempern inniger Gemenge der binären Oxide RbO0,98, RbO0,52 und Ti2O3 (molares Verhältnis = 2,4:6,2:1,0) in Ni-Zylindern bei 780°C erneut dargestellt.Diese erstmalige Strukturaufklärung mittels Vierkreisdiffraktometerdaten (Siemens AED2, 5366 Io(hkl), MoKα) führte zu den Residualwerten R = 7,9% und Rw = 3,7%. Gitterkonstanten (orthorhombisch, Cmca, Z = 8, Guinier-Simon-Daten, CuKα1): a = 596,5(1) pm, b = 1185,2(1) pm, c = 1326,6(1) pm (weitere Daten siehe Text). Die aus Filmdaten 1974 abgeleitete Struktur wird bestätigt.Der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinationszahlen (ECoN), Mittlere Fiktive Ionenradien (MEFIR) sowie die Ladungsverteilung (CHARDI) wurden berechnet und diskutiert.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19966220616
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    Electronic Resource
    Zwei neue Metatitanate mit fünffach koordiniertem Titan: CsNaTiO3 und RbNaTiO3Frau Professor Brigitte Sarry zum 75. Geburtstag gewidmet (1995)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 621 (1995), S. 1447-1453 
    Details
    ISSN: 0044-2313
    Keywords: Cesium Sodium Titanate ; Rubidium Sodium Titanate ; Metatitanate ; Crystal Structure ; MAPLE ; CHARDI ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Two New Metatitanates with Five-coordinated Titanium: CsNaTiO3 and RbNaTiO3 [1]The new oxides CsNaTiO3 (I) and RbNaTiO3 (II) are obtained by heating well grounded mixtures of the binary oxides in Ni-tubes as colourless platelike crystals. I: CsO0.56, NaO0.48 and TiO2, Cs:Na:Ti = 1.1:1.1:1.0; 600°C, 61 d as well as CsO0.97, NaO0.48 and Ti2O3, Cs:Na:Ti = 1.5:3.0:1.0; 760°C, 27 d. II: RbO0.52, NaO0.48 and TiO2, Rb:Na:Ti = 1.1:1.1:1.0; 750°C, 14 d as well as RbO0.98, NaO0.48 and Ti2O3, Rb:Na:Ti = 1.5:3.1:1.0; 760°C, 27 d. CsNaTiO3 (orthorhombic, Cmcm) is nearly isostructural with KNaTiO3 [2]; a = 601.4(1) pm, b = 1 120.3(1) pm, c = 563.4(1) pm (Guinier-Simon-Data, Z = 4). RbNaTiO3 (monoclinic, C2/c) is isostructural with KNaTiO3; a = 590.3(1) pm, b = 1 098.4(1) pm, c = 555.1(0) pm, β = 92.15° (Guinier-Simon-Data, Z = 4). Both structures are determined by using four-circle diffractometer data (CsNaTiO3: Siemens AED2, 2 896Io(hkl), MoKα, R = 2.4%, Rw = 2.3%; RbNaTiO3: Philips PW 1 100, 2 743Io(hkl), AgKα, R = 9.9%, Rw = 8.9%; additional data see text).The Madelung Part of Lattice Energy (MAPLE), Effective Coordination Numbers (ECoN), Mean Fictive Ionic Radii (MEFIR) and the Charge Distribution in Solids are calculated and discussed.
    Notes: Die neuen Oxide CsNaTiO3 (I) und RbNaTiO3 (II) wurden durch Tempern inniger Gemenge der binären Oxide in Nickelzylindern als farblose plättchenförmige Kristalle erhalten. I: CsO0,56, NaO0,48 und TiO2, Cs:Na:Ti = 1,1:1,1:1,0; 600°C, 61 d sowie CsO0,97, NaO0,48 und Ti2O3, Cs:Na:Ti = 1,5:3,0:1,0; 760°C, 27 d. II: RbO0,52, NaO0,48 und TiO2, Rb:Na:Ti = 1,1:1,1:1,0; 750°C, 14 d sowie RbO0,98, NaO0,48 und Ti2O3, Rb:Na:Ti = 1,5:3,1:1,0; 760°C, 27 d.CsNaTiO3 (orthorhombisch, Cmcm) ist strukturell eng mit KNaTiO3 [2] verwandt; a = 601,4(1) pm, b = 1 120,3(1) pm, c = 563,4(1) pm (Guinier-Simon-Daten, Z = 4). RbNaTiO3 (monklin, C2/c) ist isotyp zu KNaTiO3; a = 590,3(1) pm, b = 1 098,4(1) pm, c = 555,1(0) pm, β = 92,15° (Guinier-Simon-Daten, Z = 4). Die Aufklärung beider Strukturen erfolgte mit Vierkreisdiffraktometerdaten (CsNaTiO3: Siemens AED2, 2 896Io(hkl), MoKα, R = 2,4%, Rw = 2,3%; RbNaTiO3: Philips PW 1 100, 2 743Io(hkl), AgKα, R = 9,9%, Rw = 8,9%; weitere Daten siehe Text).Für beide Verbindungen werden der Madelunganteil der Gitterenergie (MAPLE), Effektive Koordinatioszahlen (ECoN), Mittlere Fiktive Ionenradien (MEFIR) sowie die Ladungsverteilung (CHARDI) berechnet und diskutiert.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19956210902
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