Crystal Structure of a New Polymorph of Li2FeSiO4

被引：96

作者：

Sirisopanaporn, Chutchamon ^{[1
,2
,5
]}

Boulineau, Adrien ^{[1
,5
]}

Hanzel, Darko ^{[3
]}

Dominko, Robert ^{[2
,5
]}

Budic, Bojan ^{[3
]}

Armstrong, A. Robert ^{[4
,5
]}

Bruce, Peter G. ^{[4
,5
]}

Masquelier, Christian ^{[1
,5
]}

机构：

[1] Univ Picardie Jules Verne, LRCS, F-80039 Amiens, France

[2] Natl Inst Chem, SI-1000 Ljubljana, Slovenia

[3] Jozef Stefan Inst, SI-1000 Ljubljana, Slovenia

[4] Univ St Andrews, Sch Chem, EaStCHEM, St Andrews KY16 9ST, Fife, Scotland

[5] ALISTORE ERI, F-80039 Amiens, France

来源：

INORGANIC CHEMISTRY | 2010年 / 49卷 / 16期

基金：

英国工程与自然科学研究理事会;

关键词：

ELECTROCHEMICAL PERFORMANCE; POSITIVE-ELECTRODE; LITHIUM; CHEMISTRY;

D O I：

10.1021/ic100741x

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

We report on the crystal structure of a new polymorph of Li2FeSiO4 (prepared by annealing under argon at 900 degrees C and quenching to 25 degrees C) characterized by electron microscopy and powder X-ray and neutron diffraction. The crystal structure of Li2FeSiO4 quenched from 900 degrees C is isostructural with Li2CdSiO4, described in the space group Pmnb with lattice parameters a=6.2836(1) angstrom, b = 10.6572(1) angstrom, and c = 5.0386(1) angstrom. A close comparison is made with the structure of Li2FeSiO4 quenched from 700 degrees C, published recently by Nishimura et al. (J. Am. Chem. Soc. 2008, 130, 13212). The two polymorphs differ mainly on the respective orientations and alternate sequences of corner-sharing FeO4 and SiO4 tetrahedra.

引用

页码：7446 / 7451

页数：6

共 32 条

[1]

Armand M., 2001, European patent, Patent No. [EP1134 826 A1, 1134826]

[2] Polymorphism and structural defects in Li2FeSiO4 [J].

Boulineau, Adrien ;

Sirisopanaporn, Chutchamon ;

Dominko, Robert ;

Armstrong, A. Robert ;

Bruce, Peter G. ;

Masquelier, Christian .

DALTON TRANSACTIONS, 2010, 39 (27) :6310-6316

[3]

CARVAJAL JR, 2001, NEWSLETTER, V26

[4] Whole-profile structure solution from powder diffraction data using simulated annealing [J].

Coelho, AA .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2000, 33 (02) :899-908

[5] Is it possible to prepare olivine-type LiFeSiO4?: A joint computational and experimental investigation [J].

de Dompablo, M. E. Arroyo Y. ;

Gallardo-Amores, J. M. ;

Garcia-Martinez, J. ;

Moran, E. ;

Tarascon, J. -M. ;

Armand, M. .

SOLID STATE IONICS, 2008, 179 (27-32) :1758-1762

[6] Structure and electrochemical performance of Li2MnSiO4 and Li2FeSiO4 as potential Li-battery cathode materials [J].

Dominko, R ;

Bele, M ;

Gaberscek, M ;

Meden, A ;

Remskar, M ;

Jamnik, J .

ELECTROCHEMISTRY COMMUNICATIONS, 2006, 8 (02) :217-222

[7]

DYAR MD, 1985, AM MINERAL, V70, P304

[8] FOX, 'free objects for crystallography':: a modular approach to ab initio structure determination from powder diffraction [J].

Favre-Nicolin, V ;

Cerny, R .

JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2002, 35 :734-743

[9] Comparative Studies on the Phase Stability, Electronic Structure, and Topology of the Charge Density in the Li3XO4 (X = P, As, V) Lithium Orthosalt Polymorphs [J].

Frayret, Christine ;

Masquelier, Christian ;

Villesuzanne, Antoine ;

Morcrette, Mathieu ;

Tarascon, Jean-Marie .

CHEMISTRY OF MATERIALS, 2009, 21 (09) :1861-1874

[10] Nanostructured Li2FeSiO4 electrode material synthesized through hydrothermal-assisted sol-gel process [J].

Gong, Z. L. ;

Li, Y. X. ;

He, G. N. ;

Li, J. ;

Yang, Y. .

ELECTROCHEMICAL AND SOLID STATE LETTERS, 2008, 11 (05) :A60-A63

← 1 2 3 4 →