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Escamilla-Roa, E., Hernandez-Laguna, A., Sainz-Diaz, C. I. (2013) Cation arrangement in the octahedral and tetrahedral sheets of cis-vacant polymorph of dioctahedral 2:1 phyllosilicates by quantum mechanical calculations. American Mineralogist, 98 (4) 724-735 doi:10.2138/am.2013.4153

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Reference TypeJournal (article/letter/editorial)
TitleCation arrangement in the octahedral and tetrahedral sheets of cis-vacant polymorph of dioctahedral 2:1 phyllosilicates by quantum mechanical calculations
JournalAmerican Mineralogist
AuthorsEscamilla-Roa, E.Author
Hernandez-Laguna, A.Author
Sainz-Diaz, C. I.Author
Year2013 (April 1)Volume98
Issue4
PublisherMineralogical Society of America
DOIdoi:10.2138/am.2013.4153Search in ResearchGate
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Mindat Ref. ID397200Long-form Identifiermindat:1:5:397200:1
GUID0
Full ReferenceEscamilla-Roa, E., Hernandez-Laguna, A., Sainz-Diaz, C. I. (2013) Cation arrangement in the octahedral and tetrahedral sheets of cis-vacant polymorph of dioctahedral 2:1 phyllosilicates by quantum mechanical calculations. American Mineralogist, 98 (4) 724-735 doi:10.2138/am.2013.4153
Plain TextEscamilla-Roa, E., Hernandez-Laguna, A., Sainz-Diaz, C. I. (2013) Cation arrangement in the octahedral and tetrahedral sheets of cis-vacant polymorph of dioctahedral 2:1 phyllosilicates by quantum mechanical calculations. American Mineralogist, 98 (4) 724-735 doi:10.2138/am.2013.4153
In(2013, April) American Mineralogist Vol. 98 (4) Mineralogical Society of America

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Sainz-Diaz, C. I. (2005) Quantum mechanical calculations of trans-vacant and cis-vacant polymorphism in dioctahedral 2:1 phyllosilicates. American Mineralogist, 90 (11) 1827-1834 doi:10.2138/am.2005.1819
Sainz-Díaz, C. Ignacio, Timón, Vicente, Botella, Vicente, Artacho, Emilio, Hernández-Laguna, Alfonso (2002) Quantum mechanical calculations of dioctahedral 2:1 phyllosilicates: Effect of octahedral cation distributions in pyrophyllite, illite, and smectite. American Mineralogist, 87 (7) 958-965 doi:10.2138/am-2002-0719
Ortega-Castro, J., Hernandez-Haro, N., Dove, M.T., Hernandez-Laguna, A., Sainz-Diaz, C.I. (2010) Density functional theory and Monte Carlo study of octahedral cation ordering of Al/Fe/Mg cations in dioctahedral 2:1 phyllosilicates. American Mineralogist, 95 (2) 209-220 doi:10.2138/am.2010.3273
Hernández-Laguna, Alfonso, Escamilla-Roa, Elizabeth, Timón, Vicente, Dove, Martin T., Sainz-Díaz, C. Ignacio (2006) DFT study of the cation arrangements in the octahedral and tetrahedral sheets of dioctahedral 2:1 phyllosilicates. Physics and Chemistry of Minerals, 33 (10) 655-666 doi:10.1007/s00269-006-0120-z
Timón, Vicente, Sainz-Díaz, C. Ignacio, Botella, Vicente, Hernández-Laguna, Alfonso (2003) Isomorphous cation substitution in dioctahedral phyllosilicates by means of ab initio quantum mechanical calculations on clusters. American Mineralogist, 88 (11) 1788-1795 doi:10.2138/am-2003-11-1219
Sainz-Díaz, C. Ignacio, Escamilla-Roa, Elizabeth, Hernández-Laguna, Alfonso (2004) Pyrophyllite dehydroxylation process by First Principles calculations. American Mineralogist, 89 (7) 1092-1100 doi:10.2138/am-2004-0722
Hernandez-Haro, N., Ortega-Castro, J., Del Valle, C. P., Munoz-Santiburcio, D., Sainz-Diaz, C. I., Hernandez-Laguna, A. (2013) Computational study of the elastic behavior of the 2M1 muscovite-paragonite series. American Mineralogist, 98 (4) 651-664 doi:10.2138/am.2013.4094
Ortega-Castro, J., Hernandez-Haro, N., Timon, V., Sainz-Diaz, C.I., Hernandez-Laguna, A. (2010) High-pressure behavior of 2M1 muscovite. American Mineralogist, 95 (2) 249-259 doi:10.2138/am.2010.3035
Cuadros, J., Sainz-D�az, C. I., Hern�ndez-Laguna, A. (2001) Analysis of cation distribution in the octahedral sheet of dioctahedral 2:1 phyllosilicates by using inverse Monte Carlo methods. Physics and Chemistry of Minerals, 28 (7) 445-454 doi:10.1007/s002690100171
Palin, Erika J., Dove, Martin T., Hernández-Laguna, Alfonso, Sainz-Díaz, C. Ignacio (2004) A computational investigation of the Al/Fe/Mg order-disorder behavior in the dioctahedral sheet of phyllosilicates. American Mineralogist, 89 (1) 164-175 doi:10.2138/am-2004-0119
Sainz-Diaz, Claro I., Timon, Vicente, Botella, Vicente, Hernandez-Laguna, Alfonso (2000) Isomorphous substitution effect on the vibration frequencies of hydroxyl groups in molecular cluster models of the clay octahedral sheet. American Mineralogist, 85 (7) 1038-1045 doi:10.2138/am-2000-0719
 
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