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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Structures of Ta_(22)W_4O_(67) and Ta_(74)W_6O_(203).II. A Composite Modulated Structure Approach to the (1-x)Ta_2O_5.xWO_3, 0≤x≤0.267, Solid Solution
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Structures of Ta_(22)W_4O_(67) and Ta_(74)W_6O_(203).II. A Composite Modulated Structure Approach to the (1-x)Ta_2O_5.xWO_3, 0≤x≤0.267, Solid Solution

机译：Ta_（22）W_4O_（67）和Ta_（74）W_6O_（203）的结构。 （1-x）Ta_2O_5.xWO_3，0≤x≤0.267固溶的复合调制结构方法

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The room-temperature commensurate single-crystal structures of Ta22W4O67 [Mr = 5788.19, a = 6.1485 (5), 6=47.6205(12), c = 3.8559 (3) A, y = 90.04(1)°, C112/m, Z = 1, Dx = 8.513gcnr3] and Ta74W6O203 [Mr = 17741.06, a = 6.1664(5), b = 29.2717 (14), c = 3.8731 (2)A, Pbam, Z = 0.2, Z), = 8.428 g cm~3] have each been refined using data sets collected with synchrotron radiation at three wavelengths near the Ta Lm absorption edge. The structures are parameterized and refined as composite modulated structures, composed of two interacting Cmmm parent substructures whose relative origins are separated by + <5b. The parent substructures have the same a and c axial lengths, but the b axial lengths mismatch. Characteristic extinction conditions when the substructures are mutually incommensurable imply a superspace-group symmetry of C'mmm(0,a,0)s,-l,l with a ~ 1.62. The refined atomic modulation functions describing the structural deviation of both substructures from their underlying parent substructures are shown to be remarkably similar for these two quite different compositions and are, therefore, most probably representative of the whole solid-solution range.
机译：Ta22W4O67的室温相应单晶结构[Mr = 5788.19，a = 6.1485（5），6 = 47.6205（12），c = 3.8559（3）A，y = 90.04（1）°，C112 / m， Z = 1，Dx = 8.513gcnr3]和Ta74W6O203 [Mr = 17741.06，a = 6.1664（5），b = 29.2717（14），c = 3.8731（2）A，Pbam，Z = 0.2，Z），= 8.428 g [cm〜3]分别使用在Ta Lm吸收边缘附近的三个波长处用同步加速器辐射收集的数据集进行了精炼。这些结构被参数化并细化为复合调制结构，该结构由两个相互作用的Cmmm父子结构组成，其相对原点之间的分隔距离为+ <5b。父子结构具有相同的a和c轴向长度，但b轴向长度不匹配。当子结构彼此不可度量时的特征消光条件意味着C'mmm（0，a，0）s，-1，l的超空间群对称性约为a〜1.62。对于这两个完全不同的组成，描述两个子结构与其下层母体子结构的结构偏差的改进的原子调制函数显示出极为相似的内容，因此很可能代表了整个固溶体范围。

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