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Effects of Composition on Crystal Structure, Thermal Expansion, and Response to Pressure in ReO3-type MNbF6(M= Mn and Zn)
Journal of Solid State Chemistry ( IF 3.3 ) Pub Date : 2018-10-15 , DOI: 10.1016/j.jssc.2018.10.022
Brett R. Hester , Angus P. Wilkinson

ReO3-type ABF6, are of interest as low and negative thermal expansion (NTE) materials. As only cubic ABF6 display NTE, the occurrence of phase transitions needs to be understood. The thermal expansion, phase behavior on heating and compression, and compressibilities of MnNbF6 and ZnNbF6 were examined by synchrotron powder diffraction. MnNbF6 undergoes a first order rhombohedral to cubic transition at ~315 K, but ZnNbF6 is rhombohedral over the temperature range examined (~100 to 500 K). MnNbF6 displays zero thermal expansion at ~380 K and NTE above this temperature. MnNbF6 became completely rhombohedral on initial compression and transformed to an unidentified phase at ~ 6 GPa. Rhombohedral MnNbF6 is initially elastically very soft (K0 ~ 5 GPa), but stiffens considerably on compression. Below ~3.5 GPa it displays negative linear compressibility. ZnNbF6 remained rhombohedral over the entire pressure range examined (0 - ~4 GPa) and displayed a similar stiffening on compression.



中文翻译:

成分对ReO 3型MNbF 6(M = Mn和Zn)中晶体结构,热膨胀和压力响应的影响

ReO 3型ABF 6作为低热膨胀率和负热膨胀(NTE)材料而受到关注。由于只有立方ABF 6显示NTE,因此需要了解相变的发生。通过同步加速器粉末衍射检查了MnNbF 6和ZnNbF 6的热膨胀,加热和压缩时的相行为以及可压缩性。MnNbF 6在〜315  K处经历一阶菱形到立方相变,但是ZnNbF 6在所检查的温度范围(〜100至500  K)上呈菱形。MnNbF 6在〜380  K时显示零热膨胀,在此温度以上显示NTE。MnNbF 6在初始压缩时变成完全菱面体,并在 〜6 GPa处转变为不确定的相。菱形MnNbF 6是最初弹性非常柔软(K 0〜5  GPa)的,但是变硬相当上压缩。低于 〜3.5 GPa时,它显示出负的线性可压缩性。ZnNbF 6在检查的整个压力范围(0- 〜4  GPa)内保持菱形,并且在压缩时表现出类似的变硬。

更新日期:2018-10-16
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