Structural investigations of neodymium incorporation in calcium stannate perovskite CaSnO3

Calcium stannate; Neodymium; Perovskite; Raman spectroscopy; X-ray diffraction; Calcium; Single crystals; Solid state reactions; Tin; X ray diffraction; Electron microprobes; Powder X ray diffraction; Random distribution; Randomly distributed; Single crystal x-ray diffraction; Stannates; Structural investigation; Substitution mechanisms; Tin compounds

Abstract :

[en] Samples of calcium stannate perovskite (CaSnO3) doped with a variable Nd content were synthesized by solid-state reaction in the system (1 − x)CaSnO3 − xNd2O3. The synthesized compounds were characterized by means of electron microprobe, powder X-ray diffraction, single-crystal X-ray diffraction and µ-Raman spectroscopy. The incorporation of Nd in the CaSnO3Pbnm structure leads to the formation of a complex (Ca1 − 2x Nd2x)(Sn1 − xCax)O3 perovskite. The A sublattice contains a random distribution of Ca and Nd in the whole range of composition of this system. For x < 0.28, the structure is Pbnm with Ca and Sn randomly distributed in the B sublattice. For x > 0.28 a symmetry change occurs; the structure turns into rock salt type P21/n. In this latter case half of the octahedral sites are fully occupied by Sn and the other half is randomly occupied by Sn and Ca. For x = 0.28, both structures are present in the sample. The presence of a Raman two modes behavior of A1g symmetry located near 700 cm− 1 coupled with the continuous linear evolution of the lattice parameters with Nd incorporation supports the proposed substitution mechanism. © 2018, Springer-Verlag GmbH Germany, part of Springer Nature.

Disciplines :

Earth sciences & physical geography

Author, co-author :

Goethals, J.; Université Paris-Est, LGE (EA 4508), UPEMLV, Marne-la-Vallée, France

Fourdrin, C.; Université Paris-Est, LGE (EA 4508), UPEMLV, Marne-la-Vallée, France

Tarrida, M.; Université Paris-Est, LGE (EA 4508), UPEMLV, Marne-la-Vallée, France

Bedidi, A.; Université Paris-Est, LGE (EA 4508), UPEMLV, Marne-la-Vallée, France

Hatert, Frédéric ; Université de Liège - ULiège > Département de géologie > Minéralogie et cristallochimie

Rossano, S.; Université Paris-Est, LGE (EA 4508), UPEMLV, Marne-la-Vallée, France

Language :

English

Title :

Structural investigations of neodymium incorporation in calcium stannate perovskite CaSnO3

Publication date :

2018

Journal title :

Physics and Chemistry of Minerals

ISSN :

0342-1791

eISSN :

1432-2021

Publisher :

Springer Verlag

Peer reviewed :

Peer Reviewed verified by ORBi

Available on ORBi :

since 09 March 2020

Statistics

Number of views

48 (4 by ULiège)

Number of downloads

42 (1 by ULiège)

More statistics

Scopus citations^®

Scopus citations^®
without self-citations

OpenCitations

OpenAlex citations

Bibliography

Animitsa I, Iakovleva A, Belova K (2016) Electrical properties and water incorporation in A-site deficient perovskite La 1−x Ba x Nb 3 O 9–0.5x . J Solid State Chem 238:156–161. 10.1016/j.jssc.2016.03.023
Aroyo MI, Kirov A, Capillas C et al (2006) Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups. Acta Cryst A 62:115–128. 10.1107/S0108767305040286
Aroyo MI, Perez-Mato JM, Orobengoa D et al (2011) Crystallography online: bilbao crystallographic server. Bulg Chem Commun. 10.1107/S205327331303091X
Azad AM, Shyan LLW, Alim MA (1999) Immittance response of CaSnO 3 prepared by self-heat-sustained reaction. J Mater Sci 34:1175–1187. 10.1023/A:1004596519893
Bassoli M, Buscaglia MT, Bottino C et al (2008) Defect chemistry and dielectric properties of Yb 3+ : CaTiO 3 perovskite. J Appl Phys 103:14104. 10.1063/1.2828149
Brown ID, Altermatt D (1985) Bond-valence parameters obtained from a systematic analysis of the inorganic crystal structure database. Acta Crystallogr B41:244–247
Buscaglia MT, Buscaglia V, Viviani M et al (2000) Influence of foreign ions on the crystal structure of BaTiO 3 . J Eur Ceram Soc 20:1997–2007. 10.1016/S0955-2219(00)00076-5
Cairns DL, Reaney IM, Zheng H et al (2005) Synthesis and characterization of La(Co 1/2 Ti 1/2 ) O 3 . J Eur Ceram Soc 25:433–439. 10.1016/j.jeurceramsoc.2004.02.016
Canimoglu A, Garcia-Guinea J, Karabulut Y et al (2015) Cathodoluminescence properties of rare earth doped CaSnO 3 phosphor. Appl Radiat Isot 99:138–145. 10.1016/j.apradiso.2015.02.026
Carvajal JR (1990) FULLPROF: a program for Rietveld refinement and pattern matching analysis. In: Abstract of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr, Toulouse, France, 1990, p 127
Cerdà J, Arbiol J, Dezanneau G et al (2002) Perovskite-type BaSnO 3 powders for high temperature gas sensor applications. Sens Actuators B Chem 84:21–25. 10.1016/S0925-4005(02)00005-9
Cheng H, Lu Z (2008) Synthesis and gas-sensing properties of CaSnO 3 microcubes. Solid State Sci 10:1042–1048. 10.1016/j.solidstatesciences.2007.11.001
Davies RA, Islam MS, Chadwick AV, Rush GE (2000) Cation dopant sites in the CaZrO 3 proton conductor: a combined EXAFS and computer simulation study. Solid State Ionics 130:115–122. 10.1016/S0167-2738(00)00573-7
Fu MS, Liu XQ, Chen XM (2008) Structure and microwave dielectric characteristics of Ca 1 − x Nd 2x/3 TiO 3 ceramics. J Eur Ceram Soc 28:585–590. 10.1016/j.jeurceramsoc.2007.06.015
Glazer AM (1972) The classification of tilted octahedra in perovskites. Acta Crystallogr Sect B Struct Crystallogr Cryst Chem 28:3384–3392. 10.1107/S0567740872007976
Hanajiri Y, Matsui T, Harita Y et al (1998) EXAFS analyses of CaTiO 3 doped with Ce, Nd and U. Solid State Ionics 108:343–348. 10.1016/S0167-2738(98)00061-7
Hatert F, Long GJ, Hautot D et al (2004) A structural, magnetic, and Mössbauer spectral study of several Na-Mn-Fe-bearing alluaudites. Phys Chem Miner 31(8):487–506
Howard CJ, Kennedy BJ, Woodward PM (2003) Research papers Ordered double perovskites ± a group-theoretical analysis research papers. Acta Cryst B 59:463–471. 10.1107/S0108768103010073
King G, Woodward PM (2010) Cation ordering in perovskites. J Mater Chem 20:5785. 10.1039/b926757c
Knapp MC, Woodward PM (2006) A-site cation ordering in AA′BB′O 6 perovskites. J Solid State Chem 179:1076–1085. 10.1016/j.jssc.2006.01.005
Larguem H (2006) Évolution structurale et réactivité chimique hors et sous irradiation de céramiques oxydes envisagées pour le confinement spécifique de radionucléides à vie longue. Université de Marne La Vallée
Larson EM, Eller PG, Purson JD et al (1988) Synthesis and structural characterization of CaTiO 3 doped with 0.05–7.5 mole% gadolinium(III). J Solid State Chem 73:480–487. 10.1016/0022-4596(88)90134-X
Lei B, Li B, Zhang H, Li W (2007) Preparation and luminescence properties of CaSnO 3 :Sm 3+ phosphor emitting in the reddish orange region. Opt Mater (Amst) 29:1491–1494. 10.1016/j.optmat.2006.07.011
Levin I, Cockayne E, Lufaso MW et al (2006) Local structures and Raman spectra in the Ca(Zr,Ti)O 3 perovskite solid solutions. Chem Mater 18:854–860. 10.1021/cm0523438
Lowndes R, Azough F, Cernik R, Freer R (2012) Structures and microwave dielectric properties of Ca (1 − x) Nd 2x/3 TiO 3 ceramics. J Eur Ceram Soc 32:3791–3799. 10.1016/j.jeurceramsoc.2012.05.024
Lowndes R, Deluca M, Azough F, Freer R (2013) Probing structural changes in Ca (1 − x) Nd 2x/3 TiO 3 ceramics by Raman spectroscopy. J Appl Phys 113:044115. 10.1063/1.4789601
Maul J, Erba A, Santos IMG et al (2015) In silico infrared and Raman spectroscopy under pressure: the case of CaSnO 3 perovskite. J Chem Phys. 10.1063/1.4905143
McMillan P, Ross N (1988) The Raman spectra of several orthorhombic calcium oxide perovskites. Phys Chem Miner 16:21–28. 10.1007/BF00201326
Mitchell RH (2002) Perovskites: modern and ancient. Almaz Press, Moscow
Momma K, Izumi F (2011) “VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data. J Appl Crystallogr 44:1272–1276
Moraes APA, Filho GS, Freire PTC et al (2011) Structural and optical properties of rare earth–doped (Ba 0.77 Ca 0.23 )1 – x(Sm, Nd, Pr, Yb)xTiO 3 . J Appl Phys 109:124102. 10.1063/1.3594710
Mouyane M, Womes M, Jumas JC et al (2011) Original electrochemical mechanisms of CaSnO 3 and CaSnSiO 5 as anode materials for Li-ion batteries. J Solid State Chem 184:2877–2886. 10.1016/j.jssc.2011.08.038
Orsi Gordo V, Tuncer Arslanli Y, Canimoglu A et al (2015) Visible to infrared low temperature luminescence of Er 3+ , Nd 3+ and Sm 3+ in CaSnO 3 phosphors. Appl Radiat Isot 99:69–76. 10.1016/j.apradiso.2015.02.019
Oxford Diffraction (2007) CrysAlis CCD and CrysAlis RED, version 1.71. Oxford Diffraction, Oxford
Pang XL, Jia CH, Li GQ, Zhang WF (2011) Bright white upconversion luminescence from Er 3+ -Tm 3+ -Yb 3+ doped CaSnO 3 powders. Opt Mater (Amst) 34:234–238. 10.1016/j.optmat.2011.08.019
Redfern ST, Chen C-J, Kung J et al (2011) Raman spectroscopy of CaSnO 3 at high temperature: a highly quasi-harmonic perovskite. J Phys Condens Matter 23:425401. 10.1088/0953-8984/23/42/425401
Ringwood AE (1985) Disposal of high-level nuclear wastes: a geological perspective. Mineral Mag 49:159–176. 10.1180/minmag.1985.049.351.04
Seiyama T, Yamazoe N, Arai H (1983) Ceramic humidity sensors. Sens Actuators 4:86–96
Shannon RD, Prewitt CT (1970) Revised values of effective ionic radii. Acta Crystallogr Sect B Struct Crystallogr Cryst Chem. 10.1107/S0567740870003576
Sheldrick GM (1993) SHELXL93. Program for the Refinement of Crystal Structures. University of Göttingen, Göttingen
Sheldrick GM (2008) A short history of SHELX. Acta Crystallogr A64:112–122
Tarrida M, Larguem H, Madon M (2009) Structural investigations of (Ca,Sr)ZrO 3 and Ca(Sn,Zr)O 3 perovskite compounds. Phys Chem Miner 36:403–413. 10.1007/s00269-008-0286-7
Vance E, Day R, Zhang Z et al (1996) Charge compensation in Gd-doped CaTiO3. J Solid State Chem 124:77–82. 10.1006/jssc.1996.0210
Vasala S, Karppinen M (2015) A 2 B’B"O 6 perovskites: a review. Prog Solid State Chem 43:1–36. 10.1016/j.progsolidstchem.2014.08.001
Vegas A, Vallet-Regí M, González-Calbet JM, Alario-Franco MA (1986) The ASnO 3 (A = Ca, Sr) Perovskites. Acta Crystallogr Sect B Struct Sci 42:167–172. 10.1107/S0108768186098403
Xie J, Shi Y, Zhang F, Li G (2016) CaSnO 3 :Tb 3+ , Eu 3+ : a distorted-perovskite structure phosphor with tunable photoluminescence properties. J Mater Sci 51:7471–7479. 10.1007/s10853-016-0021-6
Zhang Z, Lumpkin GR, Howard CJ et al (2007) Structures and phase diagram for the system CaTiO 3 –La 2/3 TiO 3 . J Solid State Chem 180:1083–1092. 10.1016/j.jssc.2007.01.005
Zhao J, Ross NL, Angel RJ (2004) Tilting and distortion of CaSnO 3 perovskite to 7 GPa determined from single-crystal X-ray diffraction. Phys Chem Miner 31:299–305. 10.1007/s00269-004-0391-1
Zhao S, Bai Y, Zhang W-F (2010) Electrochemical performance of flowerlike CaSnO 3 as high capacity anode material for lithium-ion batteries. Electrochim Acta 55:3891–3896. 10.1016/j.electacta.2010.02.018