Neutron and X-ray diffraction studies on the high temperature phase of Mn 3(VO 4) 2, the new isostructural compound NaMn 4(VO 4) 3 and their mixed crystals Na xMn 4.5-x/2(VO 4) 3 (0≤x≤1)

Journal of Solid State Chemistry

Volumn 194, Issue , 2012, Pages 409-415

  Clemens, Oliver ^a   Haberkorn, Robert ^a   Springborg, Michael ^a   Beck, Horst Philipp ^a  

^a SAARLAND UNIVERSITY   (Germany)

Author keywords

Density functional calculations; Neutron diffraction; Rietveld refinement; Sodium manganese vanadate; Stella quadrangula; X ray diffraction

Indexed keywords

HIGH TEMPERATURE PHASE; ISOSTRUCTURAL; ISOSTRUCTURAL COMPOUNDS; LOCAL COORDINATION; MIXED CRYSTALS; NEUTRON POWDER DIFFRACTION DATA; QUANTUM-MECHANICAL CALCULATION; SOLID-STATE ROUTES; SPACE GROUPS; STELLA QUADRANGULA; STRUCTURE ANALYSIS; X-RAY DIFFRACTION STUDIES;

DENSITY FUNCTIONAL THEORY; MANGANESE COMPOUNDS; NEUTRON DIFFRACTION; RIETVELD ANALYSIS; RIETVELD REFINEMENT; X RAY DIFFRACTION;

MANGANESE;

EID: 84866030176     PISSN: 00224596     EISSN: 1095726X     Source Type: Journal    
DOI: 10.1016/j.jssc.2012.06.003     Document Type: Article

References (36)

1. E.V. Pannunzio-Miner, J.M. De Paoli, R.D. Sánchez, and R.E. Carbonio Mater. Res. Bull. 44 2009 1586 1591
2. Y. Syono, S.-I. Akimoto, and Y. Endoh J. Phys. Chem. Solids 32 1971 243 249
3. A.K. Muranevich J. Am. Ceram. Soc. 61 1978 257 259
4. B. Maslowska, and J. Ziolkowski J. Solid State Chem. 110 1994 74 79
5. K. Mocala, and J. Ziolkowski J. Solid State Chem. 69 1987 299 311
6. J.H. Liao, F. Leroux, Y. Piffard, D. Guyomard, and C. Payen J. Solid State Chem. 121 1996 214 224
7. G.M. Clark, R. Morley, and A.N. Pick J. Inorg. Nucl. Chem. 39 1977 1841 1843
8. O. Clemens, R. Haberkorn, and H.P. Beck J. Solid State Chem. 184 2011 2640 2647
9. X. Wang, Z. Liu, A. Ambrosini, A. Maignan, C.L. Stern, K.R. Poeppelmeier, and V.P. Dravid Solid State Sci. 2 2000 99 107
10. H. Fuess, E.F. Bertaut, R. Pauthenet, and A. Durif Acta Crystallogr. B26 1970 2036 2046
11. R. Gopal, and C. Calvo Can. J. Chem. 49 1971 3056 3059
12. A.G. Nord, and P.-E. Werner Z. Kristallogr. 149 1991 49 55
13. N. Qureshi, H. Fuess, H. Ehrenberg, T.C. Hansen, C. Ritter, K. Prokes, A. Podlesnyak, and D. Schwabe Phys. Rev. B: Condens. Matter Mater. Phys. 74 2006 212407
14. E.E. Sauerbrei, R. Faggiani, and C. Calvo Acta Crystallogr. B29 1973 2304 2306
15. P.L. Wang, P.-E. Werner, and A.G. Nord Z. Kristallogr. 198 1992 271 276
16. R. Gopal, J.S. Rutherford, and B.E. Robertson J. Solid State Chem. 32 1980 29 40
17. H. Nyman, and S. Andersson Acta Crystallogr. A35 1979 934 937
18. U. Wedig, V. Saltykov, J.r. Nuss, and M. Jansen J. Am. Chem. Soc. 132 2010 12458 12463
19. N. Krishnamachari, and C. Calvo Acta Crystallogr. B29 1973 2611 2613
20. O. Clemens, R. Haberkorn, H. Kohlmann, M. Springborg, H.P. Beck, Z. Anorg. Allg. Chem. 〈http://dx.doi.org/10.1002/zaac.201200021〉, 2012.
21. J.H. Liao, C. Sigala, D. Guyomard, and Y. Piffard Acta Crystallogr. 52 1996 283 284
22. T. Witzke, S. Zhen, K. Seff, T. Doering, L. Nasdala, and U. Kolitsch Am. Mineral. 86 2001 1081 1086
23. A.K. Padhi, W.B. Archibald, K.S. Nanjundaswamy, and J.B. Goodenough J. Solid State Chem. 128 1997 267 272
24. G. Torres-Trevino, E.E. Lachowski, and A.R. West J. Mater. Sci. Lett. 5 1986 615 616
25. A.P. Tyutyunnik, V.G. Zubkov, L.L. Surat, and B.V. Slobodin Russ. J. Inorg. Chem. 49 2004 610 616
26. B.V. Slobodin, and L.L. Surat Inorg. Mater 40 2004 188 194
27. H.A. Anissa, A. Brahim, and H. Hamor Acta Crystallogr. E60 2004 i77 i79
28. T.C. Hansen, P.F. Henry, H.E. Fischer, and J. Torregrossa Meas. Sci. Technol. 19 2008 034001
29. Topas V4.2, General Profile and Structure Analysis Software for Powder Diffraction Data, User's Manual, Bruker AXS, Karlsruhe, 2008.
30. R.W. Cheary, A.A. Coelho, and J.P. Cline J. Res. Natl. Inst. Stand. Technol. 109 2004 1 25
31. G. Kresse, and J. Furthmüller Comput. Mater. Sci. 6 1996 15
32. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244 13249
33. A.I. Liechtenstein, V.I. Anisimov, and J. Zaanen Phys. Rev. B 52 1995 R5467
34. F. Zhou, M. Cococcioni, K. Kang, and G. Ceder Electrochem. Commun. 6 2004 1144 1148
35. O. Clemens, Institut für Anorganische und Analytische Chemie und Radiochemie, Dissertation, Universität des Saarlandes, Saarbrücken, 〈http://scidok.sulb.uni-saarland.de/volltexte/2012/4718/〉, 2011.
36. R.D. Shannon Acta Crystallogr. A32 1976 751 767