Investigation of crystal structure and ionic transport in a scandium based NASICON material by neutron powder diffraction

被引：17
|
作者：
Guin, M. [1 ,2 ]
Dashjav, E. [1 ,2 ]
Kumar, C. M. N. [3 ,4 ]
Tietz, F. [1 ,2 ]
Guillon, O. [1 ,2 ,5 ]
机构：
[1] Forschungszentrum Julich, Inst Energy & Climate Res IEK 1, Mat Synth & Proc, D-52425 Julich, Germany
[2] Forschungszentrum Julich, Helmholtz Inst Munster, D-52425 Julich, Germany
[3] Oak Ridge Natl Lab, Outstn SNS, JCNS, Forschungszentrum Julich, Oak Ridge, TN 37831 USA
[4] Oak Ridge Natl Lab, Chem & Engn Mat Div, Oak Ridge, TN 37831 USA
[5] JARA ENERGY, Julich Aachen Res Alliance, Aachen, Germany
来源：
SOLID STATE SCIENCES | 2017年 / 67卷
关键词：
Neutron diffraction; NASICON; Crystal structure; Ionic conductivity; BILBAO CRYSTALLOGRAPHIC SERVER; SUPERIONIC CONDUCTOR; SOLID-ELECTROLYTE; SODIUM BATTERIES; NA3SC2(PO4)3; DISORDER;
D O I：
10.1016/j.solidstatesciences.2017.03.005
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
A study of the series Na3+xSc2SixP3-xO12 (0 < x < 0.8) revealed very high ionic conductivity values at room temperature. The structural investigation of the substitutional disorder and position of the very mobile Na+ ions in the crystal structure is the key to understanding the structure-property-chemical bonding relationships. Therefore neutron powder diffraction was carried out at 300 arid 100 K on Na3.4Sc2Si0.4P2.6O12 to refine the structural parameters and to elucidate the Na+ distribution in the crystal structure. The refinement of the structure revealed that two phases are present, one rhombohedral Si-rich phase and one monoclinic Na3Sc2P3O12 phase. The ratio of the two phases is 1:1 and they possess similar lattice parameters. The hopping distances of the Na+ ions and the size of the bottleneck for Na+ conduction were calculated and explained the high conductivity of the sample. (C)2017 Elsevier Masson SAS. All rights reserved.
引用
收藏
页码：30 / 36
页数：7
相关论文
共 50 条
  • [21] The crystal structure of lueshite at 298 K resolved by high-resolution time-of-flight neutron powder diffraction
    Roger H. Mitchell
    Brendan J. Kennedy
    Kevin S. Knight
    Physics and Chemistry of Minerals, 2018, 45 : 77 - 83
  • [22] REEVALUATION OF THE CRYSTAL-STRUCTURE OF LITHIUM ZIRCONIUM NITRIDE, LI2ZRN2, BY NEUTRON POWDER DIFFRACTION
    NIEWA, R
    JACOBS, H
    MAYER, HM
    ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 1995, 210 (07): : 513 - 515
  • [23] β-SrNH and β-SrND -: Synthesis and crystal structure determination by X-ray and neutron powder diffraction
    Schultz-Coulon, V
    Irran, E
    Putz, B
    Schnick, W
    ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 1999, 625 (07): : 1086 - 1092
  • [24] Pressure dependence of crystal structure of Cu2O by TOF powder neutron diffraction
    Ishikawa, Yoshihisa
    Sakuma, Takashi
    Takahashi, Haruyuki
    Danilkin, Sergey A.
    SOLID STATE IONICS, 2014, 262 : 622 - 624
  • [25] Crystal Structure and Ionic Conductivity of the NASICON-Type Lithium Ion Conducting Solid Electrolyte
    He Kun
    Wang Yan-Hang
    Zu Cheng-Kui
    Liu Yong-Hua
    Ma Juan-Rong
    CHINESE JOURNAL OF INORGANIC CHEMISTRY, 2012, 28 (09) : 1935 - 1939
  • [26] Determination of the crystal structure of δ-MoN by neutron diffraction
    Bull, CL
    McMillan, PF
    Soignard, E
    Leinenweber, K
    JOURNAL OF SOLID STATE CHEMISTRY, 2004, 177 (4-5) : 1488 - 1492
  • [27] Investigation of the Crystal Structure and Magnetic Properties of BiMnO3+δ (δ=0.08 and 0.14) by the Methods of Neutron Diffraction and Magnetometry
    Sikolenko, V. V.
    Efimov, V. V.
    Silibin, M. V.
    Latushko, S. I.
    Zheludkevich, D. V.
    Karpinsky, D. V.
    Belik, A. A.
    JOURNAL OF SURFACE INVESTIGATION, 2023, 17 (06): : 1508 - 1513
  • [28] Investigation of the Crystal Structure and Magnetic Properties of BiMnO3 + δ (δ = 0.08 and 0.14) by the Methods of Neutron Diffraction and Magnetometry
    V. V. Sikolenko
    V. V. Efimov
    M. V. Silibin
    S. I. Latushko
    D. V. Zheludkevich
    D. V. Karpinsky
    A. A. Belik
    Journal of Surface Investigation: X-ray, Synchrotron and Neutron Techniques, 2023, 17 : 1508 - 1513
  • [29] Unraveling the Correlation between Structure and Lithium Ionic Migration of Metal Halide Solid-State Electrolytes via Neutron Powder Diffraction
    Zhang, Hao
    Xu, Feilong
    Chen, Xingyu
    Xia, Wei
    BATTERIES-BASEL, 2023, 9 (10):
  • [30] Temperature Dependent Crystal Structure of Nd2CuTiO6: An In Situ Low Temperature Powder Neutron Diffraction Study
    Kumar, N.
    Kaushik, S. D.
    Rao, K. Sandeep
    Babu, P. D.
    Deshpande, S. K.
    Achary, S. N.
    Errandonea, Daniel
    CRYSTALS, 2023, 13 (03)
12345