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Pilati, T., Demartin, F., Gramaccioli, C. M. (1997) Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al2OSiO4 Polymorphs. Acta Crystallographica Section B Structural Science, 53 (1) 82-94 doi:10.1107/s0108768196011482

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Reference TypeJournal (article/letter/editorial)
TitleTransferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al2OSiO4 Polymorphs
JournalActa Crystallographica Section B Structural Science
AuthorsPilati, T.Author
Demartin, F.Author
Gramaccioli, C. M.Author
Year1997 (February 1)Volume53
Issue1
PublisherInternational Union of Crystallography (IUCr)
DOIdoi:10.1107/s0108768196011482Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID189058Long-form Identifiermindat:1:5:189058:1
GUID0
Full ReferencePilati, T., Demartin, F., Gramaccioli, C. M. (1997) Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al2OSiO4 Polymorphs. Acta Crystallographica Section B Structural Science, 53 (1) 82-94 doi:10.1107/s0108768196011482
Plain TextPilati, T., Demartin, F., Gramaccioli, C. M. (1997) Transferability of Empirical Force Fields in Silicates: Lattice-Dynamical Evaluation of Atomic Displacement Parameters and Thermodynamic Properties for the Al2OSiO4 Polymorphs. Acta Crystallographica Section B Structural Science, 53 (1) 82-94 doi:10.1107/s0108768196011482
In(1997, February) Acta Crystallographica Section B Structural Science Vol. 53 (1) International Union of Crystallography (IUCr)

See Also

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Pilati, T., Demartin, F., Gramaccioli, C. M. (1996) Atomic displacement parameters for garnets: a lattice-dynamical evaluation. Acta Crystallographica Section B Structural Science, 52 (2) 239-250 doi:10.1107/s0108768195010925
Pilati, T., Demartin, F., Cariati, F., Bruni, S., Gramaccioli, C. M. (1993) Atomic thermal parameters and thermodynamic functions for chrysoberyl (BeAl2O4) from vibrational spectra and transfer of empirical force fields. Acta Crystallographica Section B Structural Science, 49 (2) 216-222 doi:10.1107/s0108768192011601
Gramaccioli, C. M., Demartin, F., Pilati, T. (1996) Lattice-dynamical calculation of atomic displacement parameters (ADPs). Acta Crystallographica Section A Foundations of Crystallography, 52. doi:10.1107/s0108767396081767
Pilati, Tullio, Demartin, Francesco, Gramaccioli, Carlo Maria (1997) Lattice-dynamical evaluation of thermodynamic properties and atomic displacement parameters for beryl using a transferable empirical force field. American Mineralogist, 82 (11) 1054-1062 doi:10.2138/am-1997-11-1202
Pilati, T., Demartin, F., Gramaccioli, C. M. (1998) Lattice-dynamical evaluation of atomic displacement parameters for coesite from an empirical force field with implications on thermodynamic properties. Physics and Chemistry of Minerals, 25 (2) 152-159 doi:10.1007/s002690050098
Pilati, T., Demartin, F., Gramaccioli, C. M. (1998) Lattice-Dynamical Estimation of Atomic Displacement Parameters in Carbonates: Calcite and Aragonite CaCO3, Dolomite CaMg(CO3)2 and Magnesite MgCO3. Acta Crystallographica Section B Structural Science, 54 (5) 515-523 doi:10.1107/s0108768197018181
Gramaccioli, Carlo Maria, Pilati, Tullio, Demartin, Francesco (2002) Atomic displacement parameters for spessartine Mn3Al2Si3O12and their lattice-dynamical interpretation. Acta Crystallographica Section B Structural Science, 58 (6) 965-969 doi:10.1107/s0108768102017925
Pilati, T., Demartin, F., Gramaccioli, C. M. (1994) Thermal parameters for α-quartz: a lattice-dynamical calculation. Acta Crystallographica Section B Structural Science, 50 (5) 544-549 doi:10.1107/s0108768194003757
Pilati, T., Bianchi, R., Gramaccioli, C. M. (1990) Lattice-dynamical estimation of atomic thermal parameters for silicates: forsterite α-Mg2SiO4. Acta Crystallographica Section B Structural Science, 46 (3) 301-311 doi:10.1107/s0108768189014217
Pilati, T., Demartin, F., Gramaccioli, C. M. (1995) Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields. Acta Crystallographica Section B Structural Science, 51 (5) 721-733 doi:10.1107/s0108768194014382
Pilati, T., Demartin, F., Gramaccioli, C. M. (1998) Lattice-dynamical evaluation of atomic displacement parameters and thermodynamic functions for phenakite Be2SiO4. Physics and Chemistry of Minerals, 26 (2). 149-155 doi:10.1007/s002690050171
 
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