High-pressure structure and bonding in CaIrO3: The structure model of MgSiO3 post-perovskite investigated with time-of-flight neutron powder diffraction

American Mineralogist

Volumn 92, Issue 11-12, 2007, Pages 1912-1918

  Marin, C David ^a   Smith, Ronald I ^b   Marshall, William G ^b   Parise, John B ^a  

^a STONY BROOK UNIVERSITY   (United States)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

Author keywords

Bond valence; CaIrO3; D layer; High pressure; Neutron diffraction; Post perovskite; Rietveld refinement; Structure

Indexed keywords

CHEMICAL BONDS; GEOMETRY; MAGNESIUM COMPOUNDS; NEUTRON DIFFRACTION; NEUTRON POWDER DIFFRACTION; NEUTRONS; PEROVSKITE; POSITIVE IONS; RIETVELD REFINEMENT; SILICON COMPOUNDS; STRUCTURE (COMPOSITION); TEMPERATURE;

AMBIENT CONDITIONS; BOND VALENCES; CAIRO3; COORDINATION POLYHEDRA; HIGH PRESSURE; HIGH-PRESSURE STRUCTURES; POST PEROVSKITE; TIME-OF-FLIGHT NEUTRON POWDER DIFFRACTION;

IRIDIUM COMPOUNDS;

CATION; CHEMICAL BONDING; CRYSTAL STRUCTURE; DEFORMATION; LOW TEMPERATURE; NEUTRON DIFFRACTION; PEROVSKITE; RIETVELD ANALYSIS;

EID: 37149004249     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am.2007.2585     Document Type: Article

References (56)

1. Angel, R.J., Zhao, J., and Ross, N.L. (2005) General rules for predicting phase transitions in perovskites due to octahedral tilting. Physical Review Letters, 95, 025503.
2. Berndt, M. (1997) ICSC/RETRIEVE 2.01 Crystal Structure Database. Gmelin Institute/FIZ Karlsruhe, Germany.
3. Brown, I.D. (1992) Chemical and steric constraints in inorganic solids. Acts Crystallographica Section B - Structural Science, 48, 553-572.
4. Brown, I.D. and Altermatt, D. (1985) Bond-valence parameters obtained from a systematic analysis of the inorganic crystal-structure database. Acta Crystallographica Section B-Structural Science, 41, 244-247.
5. Brown, I.D. and Shannon, R.D. (1973) Empirical bond-strength bond-length curves for oxides. Acta Crystallographica Section A, 29, 266-282.
6. Busing, W.R. and Levy, H.A. (1964) Effect of thermal motion on estimation of bond lengths from diffraction measurements. Acta Crystallographica, 17, 142-146.
7. 2: Anatomic pair distribution function analysis. Journal of the American Chemical Society, 127, 15630-15636
8. 3. Journal of the American Chemical Society, 126, 4756-4757.
9. Eichler, B., Zude, F., Fan, W., Trautmann, N., and Herrmann, G. (1993) Complex transport reactions in a temperature-gradient tube - radiochemical study of volatilization and deposition of iridium oxides and hydroxides. Radiochimica Acta, 61, 81-90.
10. Garnero, E.J. (2004) A new paradigm for Earth's core-mantle boundary. Science, 304(5672), 834-836, DOI: 10.1126/science. 1097849.
11. Glazer, A.M. (1972) Classification of tilted octahedra in perovskites. Acta Crystallograpbica Section B-Structural Science, B28, 3384-3392.
12. Glazer, A.M. (19 5) Simple ways of determining perovskite structures. Acta Crystallographica Section A, 31, 756-762.
13. Goodman, L. (1960) On the exact variance of products. Journal of the American Statistical Association, 55, 708-713.
14. Hirose, K. (2006) Postperovskite phase transition and its geophysical implications. Reviews of Geophysics, 44, RG3001.
15. 3. Geophysical Research Letters, 32, L13313, DOI:10.1029/2005GL023219.
16. 3 post-perovskite phase. American Mineralogist, 90, 262-265.
17. Hull, S., Smith, R.I., David, W.I.F., Hannon, A.C., Mayers, J., and Cywinski, R. (1992) The POLARIS powder diffiractometer at ISIS. Physica B: Physics of Condensed Matter, 180, 1000-1002.
18. 3. Journal of Solid State Chemistry, 132, 389-393.
19. 3 to 2 Mbar. Geophysical Research Letters, 33, L12S12, D01:10.1029/2006GL025686.
20. Larson, A.C. and Von Dreele, R.B. (2000) General Structure Analysis System (GSAS). Los Alamos National Laboratory Report, 86-748.
21. Lay, T., Williams, Q., and Gamero, E.J. (1998) The core-mantle boundary layer and deep Earth dynamics. Nature, 392, 461-468, DOI: 10.1038/33083.
22. Lay, T., Garnero, E.J., and Williams, Q. (2004) Partial melting in a thermo-chemical boundary layer at the base of the mantle. Physics of the Earth and Planetary Interiors, 146, 441-467.
23. Lay, T., Hernlund, J., Garnero, E.J., and Thorne, M.S. (2006) A post-perovskite lens and D″ heat flux beneath the central Pacific. Science, 314, 1272-1276.
24. 3 perovskite under pressure. Geophysical Research Letters, 32, L04304, DOI:10.1029/2004GL022068.
25. Mao, L.W., Mao, H.K., Sturhahn, W., Zhao, J., Prakapenka, V.B., Meng, Y., Shu, J.F., Fei, Y.W., and Hemley, R.J. (2006) Iron-rich post-perovskite and the origin of ultralow-velocity zones. Science, 312, 564-565, DOI: 10.1126/science.1123442.
26. 3. Journal of Solid State Chemistry, 102, 283-283.
27. Marshall, W.G. and Francis, D.J. (2002) Attainment of near-hydrostatic compression conditions using the Paris-Edinburgh cell. Journal of Applied Crystallography, 35, 122-125.
28. 3 (Neighborite) in perovskite- and post-perovskite-related structures. Geophysical Research Letters, 33, L11305, DOI: 10.1029/2006GL026150.
29. 3 (Neighborite) at high pressures. American Mineralogist, 91, 1703-1706.
30. 3 post-perovskite. American Mineralogist, 92, 1048-1053.
31. 3) utilizing the pair-distribution function for quantitative structure determination. Journal of Applied Crystallography, 40, 441-448.
32. 2-Ir system in air. Journal of Solid State Chemistry, 4, 275-280.
33. Megaw, H.D. (1971) Crystal structures and thermal expansion. Materials Research Bulletin, 6, 1007-1018.
34. 3 post-perovskite at lower mantle pressures. Science, 311, 644-646, DOI: 10.1126/science.1121808.
35. 3: Structure and bonding in metal oxides. Journal of the American Chemical Society, 126, 3175-3184.
36. 3. Science, 304, 855-858, DOI: 10.1126/science.1095932.
37. 3 in Earth's D" layer. Nature, 430, 445-448, DOI: 10.1038/nature02701.
38. 3 at high pressures and high temperatures. Journal of Physics and Chemistry of Solids, 66, 1714-1720, DOI: 10.1016/j.jpcs.2005.06.010.
39. Pauling, L. (1929) The principles determining the structure of complex ionic crystals. Journal of the American Chemical Society, 51, 1010-1026.
40. 3. Physical Review Letters, 94, 177-203.
41. 3. Zeitschrift Fur Anorganische Und Allgemeine Chemie, 336, 17.
42. 3 perovskite from 77 to 400 K. Physics and Chemistry of Minerals, 16, 415-420.
43. 5 (R = Y, Lu, Yb, Tm, Er, Ho, Dy, Gd, Eu and Sm) oxides by X-ray and neutron-diffraction. Journal of Solid State Chemistry, 100, 201-211.
44. 3 type. Geophysical Research Letters, 33, L15307.
45. 3 orthopyroxene. Proceedings of the National Academy of Sciences of the United States of America, 103(9), 3039-3043.
46. Sinmyo, R., Hirose, K., O'Neill, H.St.C., and Okunishi, E. (2006) Ferric iron in Al-bearing post-perovskite. Geophysical Research Letters, 33, L12S13, DOI:10.1029/2006GL025858.
47. Spera, F.J., Yuen, D.A., and Giles, G. (2006) Tradeoffs in chemical and thermal variations in the post-perovskite phase transition: Mixed phase regions in the deep lower mantle? Physics of the Earth and Planetary Interiors, 159, 234-246.
48. 3 liquid in Earth's lower mantle. Science, 310, 297-299, DOI: 10.1126/science.1116952.
49. 3 perovskites and the post-perovskite phase transition. Physics and Chemistry of Minerals, 32, 721-725, DOI: 10.1007/s00269-005-0049-7.
50. Thomas, N.W. (1998) New global parameterization of perovskite structures. Acta Crystallographica Section B-Structural Science, 54, 585-599.
51. Toby, B.H. (2001) EXPGUI, a graphical user interface for GSAS. Journal of Applied Crystallography, 34, 210-213.
52. 3 postperovskite. Journal of Geophysical Research-Solid Earth, 110, B02204, DOI:10.1029/ 2004JB003409.
53. 3. Chemistry Letters, 5, 705-706.
54. Wills, A.S. and Brown, I.D. (1999) VaList, CEA, France
55. 3 perovskite. 1. Physics of the Earth and Planetary Interiors, 76, 1-16.
56. 3 perovskite to 7 GPa determined from single-crystal X-ray diffraction. Physics and Chemistry of Minerals, 31, 299-305.