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51.
New Oxoplumbates(II) A2PbO2 (A = K, Rb, Cs), with Binuclear Groups [OPbO2PbO] Unknown K2PbO2, Rb2PbO2 and Cs2PbO2 (yellowish powder, yellowish transparent single crystals, respectively) have been prepared, The compounds crystallize triclinic with a = 10.901 Å, b = 7.606 Å, c = 7.328 Å, α = 119.35°, β = 88.42°, γ =117,73°, (K2PbO2); a = 10.907 Å, b = 8.510 Å, c = 7.815 Å, α = 124.00°, β = 84.97°, γ = 120.68° (Rb2PbO2) and a = 11.644 Å, b = 8.905 Å, c = 8.040 Å, α = 123.32°, β = 85.70°, γ = 120.49° Z = 4, space group P1 -C/i1. For K2PbO2 we find R = 8.65% and Rw = 9.32% (2283 independent reflections). Parameters see text. There are isolated [Pb2O4]groups, which are connected in a complicated way by mutual K+ ions forming layers. The Madelung Part of the Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, these by means of mean Fictive Ionic Radii, MEFIR, are calculated and discussed. 相似文献
52.
A New Oxogermanate: Li8GeO6 ? Li8O[GeO4] Transparent colourless single crystals of Li8GeO6(P63cm, a = 550.09(8), c = 1072.2(3) pm, Z = 2; 4-circle-diffractometer Siemens AED 2, MoKα; 326 Io(hkl), R = 2.4%, Rw = 2.0%), have been prepared. As by-product we always got colourless isometric single crystals of Li4GeO4. For the first time we could grow single crystals of Li8SiO6 of suitable size and quality. Our structure refinement confirms the assumed structure model [2]: Li8GeO6 and Li8SiO6 are isotypic with Li8CoO6[3] (Li8SiO6: a = 542.43(8), c = 1062.6(2) pm, Z = 2; 4-circle-diffractometer Siemens AED 2, MoKα; 306 Io(hkl), R = 3.6%, Rw= 3.0%). The known crystal structure of Li4GeO4 [4] is confirmed and refined (Cmcm, a = 776.6(2), b = 735.7(3), c = 604.9(2) pm, Z = 4; 4-circle-diffractometer Siemens AED 2, MoKα, 298 Io(hkl), R = 1.9%, Rw = 1.4%). The Madelung Part of Lattice Energy, MAPLE, and Effective coordination-Numbers, ECoN, these via Mean Fictive Ionic Radii, MEFIR, are calculated. 相似文献
53.
On Ternary Oxides of Lead. The Na6PbO5 Na6PbO5 (pale yellow) crystallizes orthorhombic in Cmcm with a=10.68, b=5.709, c=10.99, å; Z=1. Parameters were refined by least-squares (479 hkO–hk7, MO–Kα) R=0.1124, R′=0.116, (parameters see text). Isolated PbO5 groups of pseudotetragonal pyramids lend Pb4+ Coordination Number (CN) 5. Along [100] and [010] the pyramids are equivalent orientated, but along [001] alternately twisted by 180°. Na+ occupies holes between O2?, leading to CN 6 (Na″+) and Na″′+ and CN 4 (Na′+). The MADELUNG part of lattice energy (MAPLE) is calculated and discussed. 相似文献
54.
Accurate nonadiabatic lower and upper bounds for groundstate energies of H
2
+
and D
2
+
are calculated with the linearized method of variance minimization. The results in a.u. are –0.597139063<E
0(H
2
+
)<–0.597138994 –0.598788775<E
0(D
2
+
)<–0.598778738 i.e. the values are determined with an absolute error smaller than 0.02 cm–1 for H
2
+
and 0.01 cm–1 for D
2
+
. 相似文献
55.
The new compound Sr2InF7 single crystals has been prepared from a melt using single crystals, the strucutre of Sr2InF7 is isotypic with K2NbF7 [2]. Details of the structure are discussed, using the Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN. 相似文献
56.
New Alkali Oxoarsenates(V): NaLi2[AsO4] — A New Type of Formula [1] . By heating of well ground mixtures of the binary oxides As2O3, Na2O, and Li2O2, molar ratio As:Na:Li = 1.0:1.0:2.0, in a well closed Ni tube (650°C, 21 d) colourless single crystals of NaLi2[AsO4] were obtained for the first time. The new orthoarsenate(V) crystallizes orthorhombic (space group P mn21-C, No. 31) with Z = 2. The structure determination showed that it is isostructural to βII-Li3[VO4] and that means the Li3[PO4]-type. The lattice constants a = 702.9(2) pm, b = 520.5(1) pm, c = 505.4(2) pm were taken from Guinier-Simon powder data. The structure was determined by four-circle diffractometer data [Philips PW 1 100, AgKα , 679 independent out of 2 373 Io(hkl), R = 3.03%, Rw = 2.29%; parameter see text]. The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, these calculated via Mean Fictive Ionic Radii, MEFIR, are calculated and discussed. 相似文献
57.
Evan R. Moore Andrew E. Bourne Todd J. Hoppe Philip J. Abode Steven R. Boone Gordon H. Purser 《国际化学动力学杂志》2004,36(10):554-564
The mechanism by which an excess of iron(II) ion reacts with aqueous chlorine dioxide to produce iron(III) ion and chloride ion has been determined. The reaction proceeds via the formation of chlorite ion, which in turn reacts with additional iron(II) to produce the observed products. The first step of the process, the reduction of chlorine dioxide to chlorite ion, is fast compared to the subsequent reduction of chlorite by iron(II). The overall stoichiometry is The rate is independent of pH over the range from 3.5 to 7.5, but the reaction is assisted by the presence of acetate ion. Thus the rate law is given by At an ionic strength of 2.0 M and at 25°C, ku = (3.9 ± 0.1) × 103 L mol?1 s?1 and kc = (6 ± 1) × 104 L mol?1 s?1. The formation constant for the acetatoiron(II) complex, Kf, at an ionic strength of 2.0 M and 25°C was found to be (4.8 ± 0.8) × 10?2 L mol?1. The activation parameters for the reaction were determined and compared to those for iron(II) ion reacting directly with chlorite ion. At 0.1 M ionic strength, the activation parameters for the two reactions were found to be identical within experimental error. The values of ΔH? and ΔS? are 64 ± 3 kJ mol?1 and + 40 ± 10 J K?1 mol?1 respectively. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 554–565, 2004 相似文献
58.
On the α-LiFeO2 Type of Structure: NaPrO2 and NaTbO2 For the first time transparent light-green single crystals of NaPrO2 [from PrO1,833: KO0,50:NaO0,50 = 1:1.1:1.2 Ni-cylinder, 1000°C, 20 d] and colourless single crystals of hitherto unknown NaTbO2 [from Na2TbO3, Ni-cylinder, 1000°C, 10 d] have been prepared and investigated by X-ray. The tetragonal α-LiFeO2-type is confirmed. [NaPrO2: a = 476.19(3), c = 1096.09(11) pm, c/a = 2.30; 107 I0 (hkl); R = 4.25% Rw = 3.39%, MoKα; NaTbO2: a = 463.11(3), c = 1037.39(12) pm, c/a = 2.24; 103 I0 (hkl); R = 3.54%; Rw = 2,81%; MoKα; both space group I41/a m d; fourcircle diffractometer Philips PW 1100]. The Madelung Part of Lattice Energy, MAPLE, and the peculiarities of this type of structure are discussed. 相似文献
59.
The A-type of Lanthanoide Oxides: On Pr2O3 . “Reductive” thermal decomposition of K2PrO3 [Ni-cylinder, semi-open system, 1000°C, 14 d] leads for the first time to light green single crystals of Pr2O3. The structure determination [105 symmetry independent hkl, four circle diffractometer Philips PW 1100; MoKα; R = 6.30%, Rw = 5.01%; space group P3m1; Z = 1; a = 385.77(3), c = 601.20(6) pm] verifies the A-type according to the proposed structure by PAULING . 相似文献
60.
On the RbNiCrF6 Type. III. New Fluorides of the Type CsZnMF6 (M = Al, Ga, In, Tl, Sc, Ti, V, Mn, Cu, Rh) Cubic compounds are CsZnGaF6 [3] (colourless, a = 10.29 Å); CsZnInF6 (colourless, a = 10.58 Å); CsZnTlF6 (colourless, a = 10.62 Å); CsZnScF6 (colourless, a = 10.58 Å); CsZnTiF6 (lightblue, a = 10.50 Å); CsZnVF6 (lightgreen, a = 10.43 Å); CsZnMnF6 (redbrown, a = 10.40 Å); CsZnCuF6 (light brown, a = 10.24 Å); CsZnRhF6 (redbrown, a = 10.41 Å), all RbNiCrF6 type of structure, in addition non cubic: CsZnAlF6 (colourless). The Madelung part of lattice energy, MAPLE, is calculated and discussed. 相似文献