The crystal structure of fedotovite, K2Cu3O(SO4)3
The crystal structure of fedotovite, K2Cu3O(SO4)3
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DOI：
10.1180/minmag.1991.055.381.14
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发表时间：
1991-12
影响因子：
2.7
通讯作者：
G. Starova;S. Filatov;V. Fundamensky;L. P. Vergasova
中科院分区：
文献类型：
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作者：
G. Starova;S. Filatov;V. Fundamensky;L. P. Vergasova
测定了铁铜云母K2 Cu 3 O（SO 4）3的晶体结构，空间群C2/c，a 19.037（6），B 9.479（2），c 14.231（5）°，β 111.04（3）°，Z = 8，Dx = 3.09 g/cm 3。铁多云母结构的主要单元围绕两个额外的氧原子形成，并由共享边的[OCu 4]四面体和连接到它们的四个[SO 4]四面体组成。这些单元进一步通过两个[SO 4]四面体连接，构建平行于yz平面的不同层。这些层通过钾原子相互连接。在Fedotovite结构中，三种铜原子与氧原子以五重（4 + 1）配位，具有较强的Jahn-Teller效应。Cu_1和Cu_2原子的配位多面体均为畸变和扁平的斜方棱锥，Cu-O距离在1.912 ~ 2.333 μ m之间，第六邻位铜原子Cu_2和Cu_1分别位于2.975和2.981 μ m处。Cu 3原子的配位环境是一个扭曲的拉长的斜方金字塔，其中四个Cu-O距离为1.943至1.961 μ m，第五个在2.558 μ m，第六和第七个邻居（氧原子和铜原子）分别在2.809和2.806 μ m。
Abstract The crystal structure of fedotovite, K2Cu3O(SO4)3 has been determined, space group C2/c, a 19.037(6), b 9.479(2), c 14.231(5) Å, β 111.04(3)°, Z = 8, D x = 3.09 g/cm3. The main units of the fedotovite structure are formed around two additional oxygen atoms and consist of edge-sharing [OCu4] tetrahedra and four [SO4] tetrahedra attached to them. The units are further connected by two [SO4] tetrahedra, building distinct layers parallel to the yz plane. These layers are interconnected by potassium atoms. In the fedotovite structure, the three kinds of copper atoms are fivefold (4 + 1) coordinated to oxygen atoms with a strong Jahn-Teller effect. The coordination polyhedra of Cu1 and Cu2 atoms are distorted and flattened orthorhombic pyramids with Cu-O distances varying from 1.912 to 2.333 Å, the sixth neighbour of the both atoms is the copper atom lying at 2.975 and 2.981 Å for Cu2 and Cu1 respectively. The coordination environment of the Cu3 atom is a distorted elongated orthorhombic pyramid with four Cu-O distances from 1.943 to 1.961 Å, a fifth at 2.558 Å, and further sixth and seventh neighbours (oxygen and copper atoms) at 2.809 and 2.806 Å, respectively.