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

被引：35

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

页码：1121 / 1131

页数：11

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