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
  • [31] Application of composite Germanium neutron monochromators at SINQ:: neutron powder diffraction (HRPT) and single crystal diffraction (TriCS)
    Schefer, J
    Böhm, M
    Keller, L
    Medarde, M
    Horisberger, M
    Fischer, P
    Pomjakushin, V
    Dönni, A
    PHYSICA B, 2000, 283 (04): : 302 - 304
  • [32] Crystal structure of high-Tc related NdBaCuO2BO3:: TEM and neutron powder diffraction study
    Kopnin, EM
    Bougerol-Chaillout, C
    Belik, AA
    Schwer, H
    Böttger, G
    Karpinski, J
    PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS, 2001, 355 (1-2): : 119 - 125
  • [33] Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction
    Vocadlo, L
    Knight, KS
    Price, GD
    Wood, IG
    PHYSICS AND CHEMISTRY OF MINERALS, 2002, 29 (02) : 132 - 139
  • [34] Crystal structure of Mg0.65SC0.35Dx deuterides studied by X-ray and neutron powder diffraction
    Latroche, M.
    Kalisvaart, P.
    Notten, P. H. L.
    JOURNAL OF SOLID STATE CHEMISTRY, 2006, 179 (10) : 3024 - 3032
  • [35] Evolution of crystal structure of PbMoO4 between 5 and 300 K: A low temperature powder neutron diffraction study
    Achary, S. N.
    Patwe, S. J.
    Vishwanath, A.
    Wajhal, Sourabh
    Krishna, P. S. R.
    Tyagi, A. K.
    MATERIALS CHEMISTRY AND PHYSICS, 2021, 260
  • [36] HEIMDAL@ESS - Fast neutron powder diffraction for material science
    Schefer, Juerg
    Birk, Jonas
    Holm, Sonja L.
    Mannix, Dan
    Iversen, Kare
    Kolevatov, Rodion
    Hauback, Bjorn
    Lefmann, Kim
    Keller, Lukas
    Christensen, Mogens
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2018, 74 : E413 - E414
  • [37] Neutron powder diffraction investigation of Pd2.7Ni0.3P0.94
    Vennström, M
    Andersson, Y
    EUROPEAN POWDER DIFFRACTION EPDIC 8, 2004, 443-4 : 353 - 356
  • [38] Thermal expansion and crystal structure of FeSi between 4 and 1173 K determined by time-of-flight neutron powder diffraction
    L. Vočadlo
    K. S. Knight
    G. D. Price
    I. G. Wood
    Physics and Chemistry of Minerals, 2002, 29 : 132 - 139
  • [39] Double Bent Crystal Monochromator for High Resolution Neutron Powder Diffraction
    Mikula, P.
    Vrana, M.
    Saroun, J.
    Seong, B. S.
    Woo, W.
    POWDER DIFFRACTION, 2013, 28 : S351 - S359
  • [40] Characterization of the structure of YD3 by neutron powder diffraction
    Udovic, TJ
    Huang, Q
    Rush, JJ
    JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1996, 57 (04) : 423 - 435
12345