...
  • 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Acta Crystallographica, Section B. Structural science, crystal engineering and materials >Kermesite, Sb_2S_2O: crystal structure revision and order-disorder interpretation
【24h】

Kermesite, Sb_2S_2O: crystal structure revision and order-disorder interpretation

机译：Kermesite，Sb_2S_2O：晶体结构修正和无序解释

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

Kermesite, Sb_2S_2O, is a desymmetrized order-disorder (OD) structure of layers. Two data sets were recorded using twinned crystals from Pezinok, Slovakia (named as Pz21, Pz24). The primitive unit cell is triclinic,P1, Z = 4, cell parameters are a = 8.1416 (3), b = 10.6968 (3), c = 5.7835 (2) A, a = 102.758 (3), p = 110.657 (3),y = 101.020 (3)°, R_(obs) = 0.0243 (Pz21), and a = 8.1372 (2), b = 10.6969 (2), c = 5.7840 (1) ?,α = 102.787 (2), β = 110.606 (2),γ = 100.983 (2)o,R_(obs) = 0.0321 (Pz24). The structure can also be described in the non-standard pseudo- monoclinic octuple (Z = 32), F-centered (Kupcik) cell with extra points in 4/1,4/1,0;4/1,4/3,2/1;4/3,4/1,2/1,4/3,4/3,0, with parameters a = 21.6466 (9),b = 8.1416 (3),c = 20.3824 (9) A, a = 90.079 (4), β = 101.985 (5),γ = 89.948 (4)°(Pz21), and a = 21.6558 (5),b = 8.1372 (2),c = 20.3859 (8) A, a = 90.028 (3),β = 101.994 (3), γ = 89.986 (2)°(Pz24). The structure is built of layers parallel to the bc plane, stacked along the a vector of the octuple cell, composed of ribbons parallel to the b vector: (i) ribbon of two strips of SbO_5 flattened quadrangular pyramids,sharing apical edges; (ii) ribbon of edge-sharing corrugated lozenges Sb03S. Basal S atoms of pyramids share corners of lozenges. Sb atoms are displaced out of coordination polyhedra into the inter- layer space. The OD layer comprises adjacent halves of the structure building layers. The layer group is A(1)2/ml, the protocell is defined by b, c, (a/4)sin β. The MDO1 (4A) polytype is generated by repetition of the ~t(1,4/1,0) [or alternatively t(1_1 0)] translation. The co-existence of two kinds of domains give rise to the twinning. The twin operation is 2[010], twin index 2. The total continuation of [. a2.] generates the MD02 (2M) polytype, space group A12/al. Simulated and real diffraction patterns are presented. The important values (edges, angles) and displacements of atoms due to the desymmetrization were evaluated. The comparison with structures of stibnite,bismuthinite and aikinite is added.
机译：Kermesite Sb_2S_2O是层的非对称对称无序结构。使用来自斯洛伐克Pezinok的孪生晶体（命名为Pz21，Pz24）记录了两个数据集。原始晶胞为三斜晶系，P1，Z = 4，晶胞参数为a = 8.1416（3），b = 10.6968（3），c = 5.7835（2）A，a = 102.758（3），p = 110.657（3 ），y = 101.020（3）°，R_（obs）= 0.0243（Pz21），a = 8.1372（2），b = 10.6969（2），c = 5.7840（1）α，α= 102.787（2）， β= 110.606（2），γ= 100.983（2）o，R_（obs）= 0.0321（Pz24）。该结构也可以用非标准的伪单斜八联体（Z = 32），以F为中心（Kupcik）的单元格进行描述，其加点为4 / 1,4 / 1,0; 4 / 1,4 / 3， 2/1; 4 / 3,4 / 1,2 / 1,4 / 3,4 / 3,0，参数a = 21.6466（9），b = 8.1416（3），c = 20.3824（9）A， a = 90.079（4），β= 101.985（5），γ= 89.948（4）°（Pz21），a = 21.6558（5），b = 8.1372（2），c = 20.3859（8）A，a = 90.028（3），β= 101.994（3），γ= 89.986（2）°（Pz24）。该结构由平行于bc平面的层构成，并沿八元胞的向量堆叠，并由与b向量平行的色带组成：（i）两条SbO_5扁平四边形棱锥的条带，共享顶尖边缘; （ii）边缘共享的瓦楞糖Sb03S的丝带。金字塔的基础S原子共享菱形的角。 Sb原子从配位多面体中移出，进入层间空间。 OD层包括结构构建层的相邻两半。层组为A（1）2 / ml，原生细胞由b，c，（a / 4）sinβ定义。通过重复〜t（1,4 / 1,0）[或t（1_1 0）]翻译生成MDO1（4A）多型。两种域的共存引起了孪生。孪生运算为2 [010]，孪生索引2。 a2。]生成MD02（2M）多型，空间组A12 / al。给出了模拟和真实的衍射图。评估了由于去对称化导致的原子的重要值（边缘，角度）和位移。新增了辉锑矿，双菱铁矿和方铁矿结构的比较。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号