Reduced molybdenum-niobium oxides: II. Crystal structure of (Mo, Nb)[sub 13]O[sub 33]
Reduced molybdenum-niobium oxides: II. Crystal structure of (Mo, Nb)[sub 13]O[sub 33]
复制标题
还原钼铌氧化物：II．
DOI：
10.1006/jssc.1994.1054
复制
发表时间：
1994
期刊：
影响因子：
--
通讯作者：
M. Greenblatt
中科院分区：
文献类型：
--
作者：
S. C. Chen;M. Greenblatt
(Mo, Nb)[sub 13]O[sub 33] 在三斜晶系、空间群 P1（No. 2）中结晶。晶胞尺寸为 a = 3.8194(4) [埃]、b = 11.2898(7) [埃]、c = 14.9764(9) [埃]、[α] = 94.039(5)[度]、β = 97.326(6)[度]、[gamma] = 99.748(7)[度]，V = 628.47(9) [埃][sup 3]，Z = 1。结构被细化为 R = 0.032，R[sub w] = 0.036，具有 1460 个观察到的反射 (I > 3σ(I)) 和 186 个可变参数。 (Mo, Nb)[sub 13]O[sub 33] 的结构与 Nb[sub 2]O[sub 5[minus][sigma]] 族的晶体剪切结构有关，由 ReO[sub 3] 型 MO[sub 6] 八面体 (M = Mo, Nb) 的 3 [times] 4 [times] [infinity] 构建块和共享边串组成MoO[sub 4]四面体沿着[101]运行。沿[101]不同高度的3×4 ReO[sub 3]型板通过与MoO[sub 4]四面体共享角互连。 (Mo, Nb)[sub 13]O[sub 33]在室温下是绝缘体。
(Mo, Nb)[sub 13]O[sub 33] crystallizes in the triclinic system, space group P1 (No. 2). The unit cell dimensions are a = 3.8194(4) [angstrom], b = 11.2898(7) [angstrom], c = 14.9764(9) [angstrom], [alpha] = 94.039(5)[degrees], [beta] = 97.326(6)[degrees], [gamma] = 99.748(7)[degrees], V = 628.47(9) [angstrom][sup 3], and Z = 1. The structure was refined to R = 0.032, R[sub w] = 0.036, with 1460 observed reflections (I > 3[sigma](I)) and 186 variable parameters. The structure of (Mo, Nb)[sub 13]O[sub 33] is related to the crystallographic shear structure of the Nb[sub 2]O[sub 5[minus][sigma]] family and is built up from the 3 [times] 4 [times] [infinity] building blocks of the ReO[sub 3]-type MO[sub 6] octahedra (M = Mo, Nb) and strings of edge-sharing MoO[sub 4] tetrahedra running along [101]. The 3 [times] 4 ReO[sub 3]-type slabs at different heights along [101] are interconnected through corner sharing with the MoO[sub 4] tetrahedra. (Mo, Nb)[sub 13]O[sub 33] is an insulator at room temperature.