Structural Stability Diagram of ALnP2S6 Compounds (A = Na, K, Rb, Cs; Ln = Lanthanide)

被引：34
|
作者：
Schoop, Leslie M. [1 ]
Eger, Roland [1 ]
Kremer, Reinhard K. [1 ]
Kuhn, Alexander [1 ]
Nuss, Juergen [1 ]
Lotsch, Bettina V. [1 ,2 ,3 ,4 ]
机构：
[1] Max Planck Inst Solid State Res, Heisenbergstr 1, D-70569 Stuttgart, Germany
[2] Univ Munich, Dept Chem, Butenandtstr 5-13, D-81377 Munich, Germany
[3] NIM, Schellingstr 4, D-80799 Munich, Germany
[4] Ctr Nanosci, Schellingstr 4, D-80799 Munich, Germany
来源：
INORGANIC CHEMISTRY | 2017年 / 56卷 / 03期
关键词：
CRYSTAL-STRUCTURE; LITHIUM INTERCALATION; THIOPHOSPHATES; LA; TRANSITION; FEPS3; GD; ND;
D O I：
10.1021/acs.inorgchem.6b02052
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Thiophosphate compounds have been studied extensively in the past for their rich structural variations and for a large variety of interesting properties. Here, we report 11 new phases with the composition ALnP(2)S(6) (A = Na, K, Rb, Cs; Ln = lanthanide). These new thiophosphates crystallize in four different structure types, with the space groups Fdd2, P (1) over bar, P21, and P21/c, respectively. All phases are insulating and the calculated band gaps range between 3 eV and 3.5 eV. Magnetic measurements on the compounds with open f-shells show paramagnetic behavior and magnetic moments that match the expected free ion values of the respective lanthanide cations. We present a structural stability phase diagram for the ALnP(2)S(6) family of compounds, which reveals a clear relationship between ionic radii and the preferred crystal structure, as well as stability regions to form ALnP(2)S(6)-type phases.
引用
收藏
页码：1121 / 1131
页数：11
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