Relationship between the defect structure and fluorine-ion conductivity of La1-ySryF3-y (0 <= y <= 0.15) crystals according to X-ray and neutron diffraction data

Bolotina N. B.; Chernaya T. S.; Kalyukanov A. I.; Verin I. A.; Sorokin N. I.; Fykin L. E.; Isakova N. N.; Sobolev B. P.

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Relationship between the defect structure and fluorine-ion conductivity of La1-ySryF3-y (0 <= y <= 0.15) crystals according to X-ray and neutron diffraction data

机译：根据X射线和中子衍射数据，La1-ySryF3-y（0 <= y <= 0.15）晶体的缺陷结构与氟离子电导率的关系

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The defect structure of crystals of as-grown nonstoichiometric tysonite (LaF3 type) La1 - y Sr (y) F3 - y phase (y = 0, 0.05, 0.07, and 0.15) has been investigated by X-ray diffraction and neutron diffraction. A concentration-driven structural transition from the beta-La1 - y Sr (y) F3 - y modification to the alpha-La1 - y Sr (y) F3 - y modification in the range y = 0.05-0.10 has been observed for the first time. This transition correlates with the maximum of fluorine-ion conductivity (y = 0.05 +/- 0.02) and the maximum in the melting curve (y = 0.07 +/- 0.03). beta-LaF3 and beta-La0.95Sr0.05F2.95 crystals belong to the trigonal system (sp. gr. , Z = 6) and are twinned according to the merohedral twin law. Fine changes in the fluorine sublattice of beta-La0.95Sr0.05F2.95 increase conductivity sigma(293K) to 3 x 10(-4) S/cm; hence, these crystals can be used as fluorine-conducting solid electrolytes (FCSEs) in solid-state ionics devices. Additional possibilities of ion transport over twin joints are discussed. In alpha-La0.85Sr0.15F2.85 crystal the symmetry group changes to P6(3)/mmc, Z = 2; it is not twinned and its fluorine-ion conductivity is reduced.

机译：通过X射线衍射和中子衍射研究了成年的非化学计量的炸药（LaF3型）La1-y Sr（y）F3-y相（y = 0、0.05、0.07和0.15）的晶体缺陷结构。在第一个观察到的浓度驱动的结构转变从β-La1-ySr（y）F3-y修饰到α-La1-ySr（y）F3-y修饰在y = 0.05-0.10的范围内时间。该转变与氟离子电导率的最大值（y = 0.05 +/- 0.02）和熔解曲线中的最大值（y = 0.07 +/- 0.03）相关。 beta-LaF3和beta-La0.95Sr0.05F2.95晶体属于三角系统（sp。gr。，Z = 6），并根据多面体孪晶定律孪晶。 β-La0.95Sr0.05F2.95的氟亚晶格的细微变化将电导率sigma（293K）增加到3 x 10（-4）S / cm;因此，这些晶体可用作固态离子设备中的氟导电固体电解质（FCSE）。讨论了离子在双接头上传输的其他可能性。在alpha-La0.85Sr0.15F2.85晶体中，对称基团变为P6（3）/ mmc，Z = 2;它不成对，并且氟离子传导性降低。

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《Crystallography reports》 |2015年第3期|共15页
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Bolotina N. B.; Chernaya T. S.; Kalyukanov A. I.; Verin I. A.; Sorokin N. I.; Fykin L. E.; Isakova N. N.; Sobolev B. P.;
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机译：根据X射线和中子衍射数据，La1-ySryF3-y（0 <= y <= 0.15）晶体的缺陷结构与氟离子电导率的关系
2. X-ray and neutron diffraction study of the defect crystal structure of the as-grown nonstoichiometric phase Y_(0.715)Ca_(0.285)F _(2.715) [J] . Bolotina N.B., Kalyukanov A.I., Chernaya T.S., Crystallography reports . 2013,第4期

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Relationship between the defect structure and fluorine-ion conductivity of La1-ySryF3-y (0 <= y <= 0.15) crystals according to X-ray and neutron diffraction data

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