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Antiferroelectric Modulations in Sb_2WO_6 and Sb_2MoO_6

机译:Sb_2WO_6和Sb_2MoO_6中的反铁电调制

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The structure of Sb2WO6 [Mr = 523.4, triclinic, Fl, a = 11.132(1), b = 9.896 (4), c= 18.482(7) A, a = 90.20(4), 0 = 96.87(8), 7 = 90.21(5)°, Dv = 6.88gem"3, Z = 16, Mo Ka, A = 0.7107 A, fi = 338.5 cm"1, F(0Q0) = 3536] has been refined as an enlarged 2a x 2b x 2c F-centred superstructure of the previously reported structure [Castro, Millan, Enjalbert, Snoeck & Galy (1994). Mat. Res. Bull. 29, 871-879] refined in the space group PI. The re-refinement follows the observation, initially by TEM, of satellite reflections at G ± |(111)*, where G represents a reflection of the PI reciprocal lattice. A final value of 0.040 for /?, = ShH^obsfli)! -l^caic(h)H/Z)hll^obS(h)l was obtained for 3316 merged reflections with /(h) > 3er[/(h)], compared with R = 0.12 for the previous refinement. The refined structure is described in terms of an antiferroelectric modulation of a P12|/al underlying parent structure in the original setting. Twinning of the crystal was successfully modelled in the refinement. Synthesis of the previously unknown phase Sb2MoO6 [Mr = 435.5, triclinic, Fl, a = 10.758(1), b = 9.673(2), c = 17.57(1) A, a = 90.00(5), (i = 96.98(3), 7 = 90.05 (2)°, Z = 16, Dx = 4.97 gem"3] is also reported, along with evidence for its isostructuralism with Sb2WO6.
机译:Sb2WO6的结构[Mr = 523.4,三斜晶,Fl,a = 11.132(1),b = 9.896(4),c = 18.482(7)A,a = 90.20(4),0 = 96.87(8),7 = 90.21(5)°,Dv = 6.88gem“ 3,Z = 16,Mo Ka,A = 0.7107 A,fi = 338.5 cm” 1,F(0Q0)= 3536]已细化为放大的2a x 2b x先前报道的结构的2c F中心上部结构[Castro,Millan,Enjalbert,Snoeck和Galy(1994)。垫。 Res。公牛。 29,871-879]在空间组PI中进行了改进。重新细化之后,首先通过TEM观察到G±|(111)*处的卫星反射,其中G表示PI倒易晶格的反射。 /?的最终值为0.040,= ShH ^ obsfli)!对于//(h)> 3er [/(h)]的3316个合并反射,获得了-lcaic(h)H / Z)hllobob(h)l,而对于先前的精炼,R1 = 0.12。根据原始设置中P12 | / al基础母体结构的反铁电调制来描述精制结构。在细化过程中成功地对晶体孪晶进行了建模。以前未知的Sb2MoO6相的合成[Mr = 435.5,三斜晶系,F1,a = 10.758(1),b = 9.673(2),c = 17.57(1)A,a = 90.00(5),(i = 96.98(还报道了3)7 = 90.05(2)°,Z = 16,Dx = 4.97 gem“ 3],以及其与Sb2WO6同构的证据。

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