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Volumn 222, Issue 1, 2007, Pages 1-12

Crystal structures of high-pressure phases in the alumina-water system: I. Single crystal X-ray diffraction and molecular dynamics simulation of η-Al(OH)3

Author keywords

Gibbsite; High pressure; Molecular dynamics simulation; Phase transition; Single crystal structure analysis; X ray diffraction

Indexed keywords


EID: 33947606309     PISSN: 00442968     EISSN: None     Source Type: Journal    
DOI: 10.1524/zkri.2007.222.1.1     Document Type: Article
Times cited : (11)

References (41)
  • 2
    • 33645139673 scopus 로고    scopus 로고
    • First-principles study of the OH-strething modes of gibbsite
    • Baran, E.; Lazzeri, M.; Morin, G.; Mauri, F: First-principles study of the OH-strething modes of gibbsite. Am Mineral. 91 (2006) 115-119.
    • (2006) Am Mineral , vol.91 , pp. 115-119
    • Baran, E.1    Lazzeri, M.2    Morin, G.3    Mauri, F.4
  • 3
    • 34347254922 scopus 로고
    • A simple relationship between the infrared stretching frequencies and the hydrogen bond distances in crystals
    • Bellamy, L. J.; Owen, A. J.: A simple relationship between the infrared stretching frequencies and the hydrogen bond distances in crystals. Spectrochim Acta. A25 (1969) 329-333.
    • (1969) Spectrochim Acta , vol.A25 , pp. 329-333
    • Bellamy, L.J.1    Owen, A.J.2
  • 6
    • 79960201665 scopus 로고
    • Multistage diffusionless pathways for reconstructive phase transitions: Application to binary compounds and calcium carbonate
    • Christy, A. G.: Multistage diffusionless pathways for reconstructive phase transitions: Application to binary compounds and calcium carbonate. Acta Cryst. B49 (1993) 987-996.
    • (1993) Acta Cryst , vol.B49 , pp. 987-996
    • Christy, A.G.1
  • 9
    • 0344530857 scopus 로고    scopus 로고
    • Pressure-controlled polytypism in hydrous layered materials
    • Dera, P.; Prewitt, C. T.; Japel, S.; Bish, D. L.; Johnston, C. T.: Pressure-controlled polytypism in hydrous layered materials. Am Mineral. 88 (2003) 1428-1435.
    • (2003) Am Mineral , vol.88 , pp. 1428-1435
    • Dera, P.1    Prewitt, C.T.2    Japel, S.3    Bish, D.L.4    Johnston, C.T.5
  • 10
    • 84977266737 scopus 로고
    • Die Berechnung optischer und elektrostatischer
    • Ewald, P. P.: Die Berechnung optischer und elektrostatischer Gitterpotentiale. Ann. Phys. 64 (1921) 253.
    • (1921) Gitterpotentiale. Ann. Phys , vol.64 , pp. 253
    • Ewald, P.P.1
  • 11
    • 0037158576 scopus 로고    scopus 로고
    • Molecular dynamics studies of molecular diffusion in ice Ih
    • Fukazawa, T. I.; Horikawa, S.; Hondoh, T.; Kawamura, K.: Molecular dynamics studies of molecular diffusion in ice Ih. J. Chem. Phys. 117 (2002) 3886-3896.
    • (2002) J. Chem. Phys , vol.117 , pp. 3886-3896
    • Fukazawa, T.I.1    Horikawa, S.2    Hondoh, T.3    Kawamura, K.4
  • 14
    • 0000984015 scopus 로고
    • Ab initio calculations of the fundamental OH frequency of bound OH-ions
    • Hermansson, K.: Ab initio calculations of the fundamental OH frequency of bound OH-ions. J. Chem. Phys. 95 (1991) 3578-3588.
    • (1991) J. Chem. Phys , vol.95 , pp. 3578-3588
    • Hermansson, K.1
  • 16
  • 18
    • 33947589778 scopus 로고    scopus 로고
    • Kawamura, K.: MXDTRICL. Japan Chemistry Program Exchange, 077, 1997.
    • Kawamura, K.: MXDTRICL. Japan Chemistry Program Exchange, 077, 1997.
  • 20
    • 0022057786 scopus 로고
    • 2 under high-pressure
    • 2 under high-pressure. Physica. B139/140 (1986) 333-336.
    • (1986) Physica , vol.B139 140 , pp. 333-336
    • Kudoh, Y.1    Takeda, H.2
  • 21
    • 0000072776 scopus 로고    scopus 로고
    • Correlation of O-H stretching frequencies and O-H⋯O hydrogen bond lengths in minerals
    • Libowitzky, E.: Correlation of O-H stretching frequencies and O-H⋯O hydrogen bond lengths in minerals. Monatsh. Chem. 130 (1999) 1047-1059.
    • (1999) Monatsh. Chem , vol.130 , pp. 1047-1059
    • Libowitzky, E.1
  • 22
    • 2442437799 scopus 로고    scopus 로고
    • Phase transition and compression behavior of gibbsite under high-pressure
    • Liu, H.; Hu, J.; Xu, J.; Liu, Z.; Shu, J.; Mao, H. K.; Chen, J.: Phase transition and compression behavior of gibbsite under high-pressure. Phys. Chem. Minerals. 31 (2004) 240-246.
    • (2004) Phys. Chem. Minerals , vol.31 , pp. 240-246
    • Liu, H.1    Hu, J.2    Xu, J.3    Liu, Z.4    Shu, J.5    Mao, H.K.6    Chen, J.7
  • 23
    • 19944396817 scopus 로고    scopus 로고
    • Structural refinement of the high-pressure phase of aluminum trihydroxide: In-situ high-pressure angle dispersive synchrotron X-ray diffraction and theoretical studies
    • Liu, H.; Tse, J. S.; Hu, J.; Liu, Z.; Wang, L.; Chen, J.; Weidner, D. J.; Meng, Y; Hausermann, D.; Mao, H. K.: Structural refinement of the high-pressure phase of aluminum trihydroxide: In-situ high-pressure angle dispersive synchrotron X-ray diffraction and theoretical studies. J. Phys. Chem. B109 (2005) 8857-8860.
    • (2005) J. Phys. Chem , vol.B109 , pp. 8857-8860
    • Liu, H.1    Tse, J.S.2    Hu, J.3    Liu, Z.4    Wang, L.5    Chen, J.6    Weidner, D.J.7    Meng, Y.8    Hausermann, D.9    Mao, H.K.10
  • 26
    • 0002394876 scopus 로고
    • Stretching frequency versus bond distance correlation of O-D(H)⋯Y (Y = N, O, S, Se, Cl, Br, I) hydrogen bonds in solid hydrates
    • Mikenda, W.: Stretching frequency versus bond distance correlation of O-D(H)⋯Y (Y = N, O, S, Se, Cl, Br, I) hydrogen bonds in solid hydrates. J. Mol. Struct. 326 (1986) 123-130.
    • (1986) J. Mol. Struct , vol.326 , pp. 123-130
    • Mikenda, W.1
  • 28
    • 33947470124 scopus 로고
    • Stretching frequencies as a function of distances in hydrogen bonds
    • Nakamoto, K.; Margoshes, M.; Rundle, R. E.: Stretching frequencies as a function of distances in hydrogen bonds. J. Am. Chem. Soc. 77 (1955) 6480-6486.
    • (1955) J. Am. Chem. Soc , vol.77 , pp. 6480-6486
    • Nakamoto, K.1    Margoshes, M.2    Rundle, R.E.3
  • 30
    • 0000544675 scopus 로고
    • Hydrogen bonding in solids: Correlation of spectroscopic and crystallographic data
    • Novak, A.: Hydrogen bonding in solids: Correlation of spectroscopic and crystallographic data. Struct. Bond. 18 (1974) 177-216.
    • (1974) Struct. Bond , vol.18 , pp. 177-216
    • Novak, A.1
  • 32
    • 33845267905 scopus 로고
    • Quadratic elongation: A quantitative measure of distortion in coordination polyhedra
    • Robinson, K.; Gibbs, G. V.; Ribbe, P. F.: Quadratic elongation: A quantitative measure of distortion in coordination polyhedra. Science. 172 (1971) 567-570.
    • (1971) Science , vol.172 , pp. 567-570
    • Robinson, K.1    Gibbs, G.V.2    Ribbe, P.F.3
  • 34
    • 0038696286 scopus 로고    scopus 로고
    • Large self-diffusion of water on brucite surface by ab initio potential energy surface and molecular dynamics simulations
    • Sakuma, H.; Tsuchiya, T.; Kawamura, K.; Otsuki, K.: Large self-diffusion of water on brucite surface by ab initio potential energy surface and molecular dynamics simulations. Surf. Sci. 536 (2003) L396-L402.
    • (2003) Surf. Sci , vol.536
    • Sakuma, H.1    Tsuchiya, T.2    Kawamura, K.3    Otsuki, K.4
  • 35
    • 0014698661 scopus 로고
    • Structure of aluminum hydroxide and geochemical implications
    • Schoen, R.; Roberson, C. E.: Structure of aluminum hydroxide and geochemical implications. Am. Mineral. 55 (1970) 43-77.
    • (1970) Am. Mineral , vol.55 , pp. 43-77
    • Schoen, R.1    Roberson, C.E.2
  • 36
    • 33947600639 scopus 로고    scopus 로고
    • Sheldrick, G. M.: SHELXL97. Program for the Refinement of Crystal Structure. University of Göttingen, Germany, 1997.
    • Sheldrick, G. M.: SHELXL97. Program for the Refinement of Crystal Structure. University of Göttingen, Germany, 1997.
  • 37
    • 0036813417 scopus 로고    scopus 로고
    • 2 at high-pressures: Implications for amorphization and hydrogen repulsion
    • 2 at high-pressures: implications for amorphization and hydrogen repulsion. Phys. Rev. B66 (2002) 134301-7.
    • (2002) Phys. Rev , vol.B66 , pp. 134301-134307
    • Shieh, S.R.1    Duffy, T.S.2
  • 38
    • 33947575245 scopus 로고    scopus 로고
    • Struntz, H.; Nickel, E. H.: Strunz Mineralogical Tables. Chemical Structural Mineral Classification System 9th edition. E. Shweizerbart'sche Verlagsbuchhandlung (Nägele u. Obermiller) Stuttgart, 2001.
    • Struntz, H.; Nickel, E. H.: Strunz Mineralogical Tables. Chemical Structural Mineral Classification System 9th edition. E. Shweizerbart'sche Verlagsbuchhandlung (Nägele u. Obermiller) Stuttgart, 2001.
  • 39
    • 22944467757 scopus 로고
    • Computer "Experiments" on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules
    • Verlet, L.: Computer "Experiments" on classical fluids. I. Thermodynamical properties of Lennard-Jones molecules. Phys. Rev. 159 (1967) 98-103.
    • (1967) Phys. Rev , vol.159 , pp. 98-103
    • Verlet, L.1
  • 40
    • 0034126551 scopus 로고    scopus 로고
    • Assignment of the structural OH stretching bands of gibbsite
    • Wang, S. L.; Johnston, C. T.: Assignment of the structural OH stretching bands of gibbsite. Am. Mineral. 85 (2000) 739-744.
    • (2000) Am. Mineral , vol.85 , pp. 739-744
    • Wang, S.L.1    Johnston, C.T.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.