Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW_2O_9 and KNbW_2O_9

Jason A. McNulty; Alexandra S. Gibbs; Philip Lightfoot; Finlay D. Morrison

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Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW_2O_9 and KNbW_2O_9

机译：八面体倾斜在极地六角形钨铜rbnbw_2o_9和knbw_2o_9

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The ambient-temperature structures (orthorhombic, space group Cmc2_1) of the polar hexagonal tungsten bronzes RbNbW_2O_9 and KNbW_2O_9 have been determined by high-resolution powder neutron diffraction. Displacement of the A-site cation along the polar c axis with concomitant octahedral tilting occurs to optimize the A cation bonding environment, hence reducing the coordination from 18 to 16. This effect is more evident in KNbW_2O_9 due to decreased A cation size. The octahedral tilting in both compositions results in a doubling of the c axis that has not previously been reported, highlighting the importance of neutron diffraction as a complementary technique for structural determination of such systems.

机译：通过高分辨率粉末中子衍射确定极性六方钨铜铜筋RBNBW_2O_9和KNBW_2O_9的环境温度结构（正极，空间组CMC2_1）。沿极性C轴的A现场阳离子的位移发生伴随的八面体倾斜以优化阳离子粘合环境，从而减少了18至16的配位。由于阳离子尺寸降低，在KNBW_2O_9中，这种效果更明显。两种组合物中的八面体倾斜导致先前未报道的C轴的加倍，突出了中子衍射作为这种系统结构测定的互补技术的重要性。

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《Acta Crystallographica, Section B. Structural science, crystal engineering and materials》 |2019年第5期|共7页
作者
Jason A. McNulty; Alexandra S. Gibbs; Philip Lightfoot; Finlay D. Morrison;
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EaStCHEM School of Chemistry University of St Andrews St Andrews KY16 9ST UK;

ISIS Facility Rutherford Appleton Laboratory Chilton Oxon OX11 0QX UK.;

EaStCHEM School of Chemistry University of St Andrews St Andrews KY16 9ST UK;

EaStCHEM School of Chemistry University of St Andrews St Andrews KY16 9ST UK;

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正文语种 eng
中图分类晶体学;
关键词
octahedral tilting; hexagonal tungsten bronzes; X-ray diffraction; powder neutron diffraction; symmetry-mode analysis;

机译：八面体倾斜;六边形钨铜;X射线衍射;粉末中子衍射;对称模式分析;

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1. Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW_2O_9 and KNbW_2O_9 [J] . Jason A. McNulty, Alexandra S. Gibbs, Philip Lightfoot, Acta Crystallographica, Section B. Structural science, crystal engineering and materials . 2019,第5期

机译：八面体倾斜在极地六角形钨铜rbnbw_2o_9和knbw_2o_9
2. Octahedral tilting in the tungsten bronzes [J] . Thomas A. Whittle, Siegbert Schmid, Christopher J. Howard Acta Crystallographica, Section B. Structural science, crystal engineering and materials . 2015,第3期

机译：钨青铜中的八面体倾斜
3. Coupling between octahedral tilting and ferroelectric order in tetragonal tungsten bronze-structured dielectrics [J] . Igor Levin, Martin C. Stennett, Gabrielle C. Miles, Applied Physics Letters . 2006,第12期

机译：四方钨青铜结构电介质中八面体倾斜与铁电有序的耦合
4. Octahedral Tilting and Ferroelectric Order in Tetragonal Tungsten Bronze-Like Dielectrics [C] . I. Levin, M. C. Stennett, G. C. Miles, IEEE International Symposium on the Applications of Ferroelectrics . 2007

机译：四边形钨铜型电介质中的八面体倾斜和铁电顺序
5. SUPERCONDUCTING AND NORMAL STATE PROPERTIES OF HEXAGONAL TUNGSTEN BRONZES RUBIDIUM(X)TUNGSTATE, RUBIDIUM(X)CESIUM(Y)TUNGSTATE AND POTASSIUM(X)TUNGSTATE. [D] . CADWELL, LOUIS HENRY. 1980

机译：六角形钨青铜，X（X），钨（X），钨（Y）和钨（PROPERTIES）的超导和常态性能。
6. Propagation Control of Octahedral Tilt in SrRuO3 via Artificial Heterostructuring [O] . Seung Gyo Jeong, Gyeongtak Han, Sehwan Song, 2020

机译：通过人工异质结构在SrruO3中八面体倾斜的繁殖控制
7. Octahedral tilting in the tungsten bronzes. Addendum. [O] . Thomas A. Whittle, Siegbert Schmid, Christopher J. Howard 2018

机译：八面体倾斜在钨青铜器中。附录。
8. Search for Crystallographic Instability in Hexagonal Tungsten Bronzes. [R] . Lawson, A. C., Fisk, Z., Shanks, H. R. 1974

机译：寻找六角形钨青铜的晶体不稳定性。

Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW_2O_9 and KNbW_2O_9

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