Structure Determination of the Crystalline LiPON Model Structure Li5+xP2O6-xN1+x with x≈0.9

被引：6
|
作者：
Schneider, Stefanie [1 ]
Balzat, Lucas G. [1 ,2 ]
Lotsch, Bettina V. [1 ,2 ]
Schnick, Wolfgang [1 ]
机构：
[1] Univ Munich LMU, Dept Chem, Butenandtstr 5-13, D-81377 Munich, Germany
[2] MPI Solid State Res, Dept Nanochem, Heisenbergstr 1, D-70569 Stuttgart, Germany
来源：
CHEMISTRY-A EUROPEAN JOURNAL | 2023年 / 29卷 / 09期
关键词：
conducting materials; lithium; nitrides; NMR spectroscopy; solid-state structures; LITHIUM PHOSPHORUS OXYNITRIDE; HIGH-PRESSURE POLYMORPH; THIN-FILM LITHIUM; LI ION DYNAMICS; ELECTROLYTE; BATTERIES; CONDUCTIVITY;
D O I：
10.1002/chem.202202984
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Non-crystalline lithium oxonitridophosphate (LiPON) is used as solid electrolyte in all-solid-state batteries. Crystalline lithium oxonitridophosphates are important model structures to retrieve analytical information that can be used to understand amorphous phases better. The new crystalline lithium oxonitridophosphate Li5+xP2O6-xN1+x was synthesized as an off-white powder by ampoule synthesis at 750-800 degrees C under Ar atmosphere. It crystallizes in the monoclinic space group P2(1)/c with a=15.13087(11) angstrom, b=9.70682(9) angstrom, c=8.88681(7) angstrom, and beta=106.8653(8)degrees. Two P(O,N)(4) tetrahedra connected by an N atom form the structural motif [P2O6-xN1+x]((5+x)-). The structure was elucidated from X-ray diffraction data and the model corroborated by NMR and infrared spectroscopy, and elemental analyses. Measurements of ionic conductivity show a total ionic conductivity of 6.8x10(-7) S cm(-1) at 75 degrees C with an activation energy of 0.52 +/- 0.01 eV.
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页数：7
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