The Oxycarbonate Ba3Co2O6(CO3)0.60 with a 2H−ABO3-Related Structure
The Oxycarbonate Ba3Co2O6(CO3)0.60 with a 2H−ABO3-Related Structure
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具有 2H−ABO3 相关结构的碳酸氧盐 Ba3Co2O6(CO3)0.60
DOI：
10.1021/cm991122x
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发表时间：
2000
影响因子：
8.6
通讯作者：
J. González
中科院分区：
文献类型：
--
作者：
K. Boulahya;U. Amador;M. Parras;J. González
通过X射线、中子和电子衍射以及高分辨率电子显微镜测定了Ba{sub 3}Co{sub 2}O{sub 6}(CO{sub 3}){sub 0.60}的晶体结构。该化合物具有六方对称性（空间群 P{bar 6}），晶格参数 a = 0.9683(1) 和 c = 0.95180(8) nm，与 2H-ABO{sub 3} 相关，通过表达式 a = a{sub 2H}(3){sup 1/2} 和 c = 2c{sub 2H}。它可以通过两个块 [Ba{sub 2}Co{sub 2}O{sub 6}]{sup {delta}{minus}} 和 [Ba(CO{sub 3}){sub 0.60}]{sup {delta}+} 沿 a 轴交替的有序共生来描述。第一个块对应于两个 2H 状棒，第二个块可能与 BaCO{sub 3} 文石型结构有关。中子衍射数据阐明了文石块体中碳酸酯基团沿 c 轴的相对方向。
The crystal structure of Ba{sub 3}Co{sub 2}O{sub 6}(CO{sub 3}){sub 0.60} has been determined by means of X-ray, neutron and electron diffraction, and high-resolution electron microscopy. This compound has a hexagonal symmetry (space group P{bar 6}) and lattice parameters a = 0.9683(1) and c = 0.95180(8) nm related to the 2H-ABO{sub 3} by means of the expression a = a{sub 2H}(3){sup 1/2} and c = 2c{sub 2H}. It can be described from the ordered intergrowth of two blocks, [Ba{sub 2}Co{sub 2}O{sub 6}]{sup {delta}{minus}} and [Ba(CO{sub 3}){sub 0.60}]{sup {delta}+}, alternating along the a-axis. The first block corresponds to two 2H-like rods and the second one can be related to the BaCO{sub 3} aragonite-type structure. Neutron diffraction data elucidate the relative orientation of carbonate groups along c-axis in the aragonite-like blocks.