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Volumn 36, Issue 1, 2009, Pages 19-28

Maximum entropy method: An unconventional approach to explore observables related to the electron density in phengites

Author keywords

Electron density; Maximum entropy method; Phengites

Indexed keywords

CARRIER CONCENTRATION; CHARGE DISTRIBUTION; CHARGED PARTICLES; DATA STRUCTURES; DIFFRACTION; ELECTRON DENSITY MEASUREMENT; ENTROPY; EQUATIONS OF STATE; EXPERIMENTS; MICA; OXYGEN; SILICATE MINERALS; SINGLE CRYSTALS; X RAY DIFFRACTION;

EID: 58049206828     PISSN: 03421791     EISSN: 14322021     Source Type: Journal    
DOI: 10.1007/s00269-008-0255-1     Document Type: Article
Times cited : (5)

References (49)
  • 3
    • 0036737024 scopus 로고    scopus 로고
    • Mixing properties of phengite mica and revised garnet-phengite thermobarometer
    • doi: 10.1046/j.1525-1314.2002.00395.x
    • Coggon R, Holland TJB (2002) Mixing properties of phengite mica and revised garnet-phengite thermobarometer. J Metamorph Geol 20:683-696. doi: 10.1046/j.1525-1314.2002.00395.x
    • (2002) J Metamorph Geol , vol.20 , pp. 683-696
    • Coggon, R.1    Holland, T.J.B.2
  • 4
    • 0019895682 scopus 로고
    • Electron density images from imperfect data by iterative entropy maximization
    • doi: 10.1038/298049a0
    • Collins D (1983) Electron density images from imperfect data by iterative entropy maximization. Nature 298:49-51. doi: 10.1038/298049a0
    • (1983) Nature , vol.298 , pp. 49-51
    • Collins, D.1
  • 5
    • 0001188293 scopus 로고
    • Electron density: An exponential model
    • doi: 10.1107/S0108767383000537
    • Collins D, Mahar MC (1983) Electron density: An exponential model. Acta Crystallogr A 39:252-256. doi: 10.1107/S0108767383000537 252-256.
    • (1983) Acta Crystallogr A , vol.39 , pp. 252-256
    • Collins, D.1    Mahar, M.C.2
  • 6
    • 0001259791 scopus 로고
    • The Sesia-Lanzo zone: High pressure low-temperature metamorphism in the Austroalpine continental margin
    • Compagnoni R (1977) The Sesia-Lanzo zone: High pressure low-temperature metamorphism in the Austroalpine continental margin. Rend Soc Ital Mineral Petrol 23:335-374
    • (1977) Rend Soc Ital Mineral Petrol , vol.23 , pp. 335-374
    • Compagnoni, R.1
  • 7
    • 31144470542 scopus 로고    scopus 로고
    • Miche diottaedriche di alta pressione: Caratterizzazione cristallochimica e strutturale
    • Doctorate Thesis, University of Turin, Turin, Italy
    • Curetti N (2004) Miche diottaedriche di alta pressione: caratterizzazione cristallochimica e strutturale. Doctorate Thesis, University of Turin, Turin, Italy
    • (2004)
    • Curetti, N.1
  • 8
    • 31144469737 scopus 로고    scopus 로고
    • Elastic properties and stability of coexisting 3T and 2M1 phengite polytypes
    • doi: 10.1007/s00269-005-0044-z
    • Curetti N, Levy D, Pavese A, Ivaldi G (2006) Elastic properties and stability of coexisting 3T and 2M1 phengite polytypes. Phys Chem Miner 32:670-678. doi: 10.1007/s00269-005-0044-z
    • (2006) Phys Chem Miner , vol.32 , pp. 670-678
    • Curetti, N.1    Levy, D.2    Pavese, A.3    Ivaldi, G.4
  • 9
    • 0242507586 scopus 로고    scopus 로고
    • Error maps in charge and momentum density studies by the maximum entropy methods
    • doi: 10.1143/JPSJ.72.2203
    • Dobrzynski L, Waliszewski J (2003) Error maps in charge and momentum density studies by the maximum entropy methods. J Phys Soc Jpn 72:2203-2212. doi: 10.1143/JPSJ.72.2203
    • (2003) J Phys Soc Jpn , vol.72 , pp. 2203-2212
    • Dobrzynski, L.1    Waliszewski, J.2
  • 10
    • 31144450145 scopus 로고    scopus 로고
    • Micas: Crystal chemistry and metamorphic petrology
    • Ferraris G, Ivaldi G (2002) Micas: Crystal chemistry and metamorphic petrology. Rev Mineral Geochem 46:117-153
    • (2002) Rev Mineral Geochem , vol.46 , pp. 117-153
    • Ferraris, G.1    Ivaldi, G.2
  • 11
    • 0000189260 scopus 로고
    • On the stability of dioctahedral micas
    • EUG-8 Abstr suppl No 1 to Terra Nova
    • Ferraris G, Ivaldi G, Nespolo M, Takeda H (1995) On the stability of dioctahedral micas. EUG-8 Abstr suppl No 1 to Terra Nova, vol 7, p 289
    • (1995) , vol.7 , pp. 289
    • Ferraris, G.1    Ivaldi, G.2    Nespolo, M.3    Takeda, H.4
  • 12
    • 0004799494 scopus 로고
    • Hydroxyl orientation in 2:1 phyllosilicates
    • Giese RF (1979) Hydroxyl orientation in 2:1 phyllosilicates. Clays Clay Miner 35:170-171
    • (1979) Clays Clay Miner , vol.35 , pp. 170-171
    • Giese, R.F.1
  • 14
    • 10644250257 scopus 로고
    • Inhomogeneous electron gas
    • doi: 10.1103/PhysRev.136.B864
    • Hohenberg P, Kohn W (1964) Inhomogeneous electron gas. Phys Rev B 136:864-867. doi: 10.1103/PhysRev.136.B864
    • (1964) Phys Rev B , vol.136 , pp. 864-867
    • Hohenberg, P.1    Kohn, W.2
  • 16
    • 0035204981 scopus 로고    scopus 로고
    • Coexisting 3T and 2M1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterization
    • doi: 10.1127/0935-1221/2001/0013-1025
    • Ivaldi G, Ferraris G, Curetti N, Compagnoni R (2001b) Coexisting 3T and 2M1 polytypes of phengite from Cima Pal (Val Savenca, western Alps): Chemical and polytypic zoning and structural characterization. Eur J Mineral 13:1025-1034. doi: 10.1127/0935-1221/2001/0013-1025
    • (2001) Eur J Mineral , vol.13 , pp. 1025-1034
    • Ivaldi, G.1    Ferraris, G.2    Curetti, N.3    Compagnoni, R.4
  • 17
    • 0000919164 scopus 로고    scopus 로고
    • Errors in Maximum-entropy charge density distributions obtained from diffraction data
    • doi: 10.1107/S0108767397000792
    • Iversen BB, Jensen JL, Danielsen J (1997) Errors in Maximum-entropy charge density distributions obtained from diffraction data. Acta Crystallogr A 53:376-387. doi: 10.1107/S0108767397000792
    • (1997) Acta Crystallogr A , vol.53 , pp. 376-387
    • Iversen, B.B.1    Jensen, J.L.2    Danielsen, J.3
  • 18
    • 0027607672 scopus 로고
    • MEED: A program package for electron-density-distribution calculation by the maximum entropy method
    • doi: 10.1107/S0021889892012883
    • Kumazawa S, Kubota Y, Takata M, Sakata M (1993) MEED: A program package for electron-density-distribution calculation by the maximum entropy method. J Appl Cryst 26:453-457. doi: 10.1107/S0021889892012883
    • (1993) J Appl Cryst , vol.26 , pp. 453-457
    • Kumazawa, S.1    Kubota, Y.2    Takata, M.3    Sakata, M.4
  • 19
    • 33746052905 scopus 로고    scopus 로고
    • Thermodynamic and kinetics of cation ordering in natural and synthetic Mg(Al, Fe)2O4 spinels from in-situ high-temperature X-ray diffraction
    • doi: 10.2138/am.2006.1880
    • Martignago F, Andreozzi GB, Dal Negro A (2006) Thermodynamic and kinetics of cation ordering in natural and synthetic Mg(Al, Fe)2O4 spinels from in-situ high-temperature X-ray diffraction. Am Mineral 91:306-312. doi: 10.2138/am.2006.1880
    • (2006) Am Mineral , vol.91 , pp. 306-312
    • Martignago, F.1    Andreozzi, G.B.2    Dal Negro, A.3
  • 20
    • 0023471499 scopus 로고
    • Phengite geobarometry based on the limiting assemblage with K-feldspar, phlogopite and quartz
    • doi: 10.1007/BF00375235
    • Massonne HJ, Schreyer W (1987) Phengite geobarometry based on the limiting assemblage with K-feldspar, phlogopite and quartz. Contrib Mineral Petrol 96:212-224. doi: 10.1007/BF00375235
    • (1987) Contrib Mineral Petrol , vol.96 , pp. 212-224
    • Massonne, H.J.1    Schreyer, W.2
  • 21
    • 0024525989 scopus 로고
    • Stability field of the high pressure assemblage talc+phengite and two new phengite barometers
    • Massonne HJ, Schreyer W (1989) Stability field of the high pressure assemblage talc+phengite and two new phengite barometers. Eur J Miner 1:391-410
    • (1989) Eur J Miner , vol.1 , pp. 391-410
    • Massonne, H.J.1    Schreyer, W.2
  • 22
    • 29844457856 scopus 로고    scopus 로고
    • Outlier recognition in the crystal structure least-squares modelling by diagnostic techniques based on leverage analysis
    • doi: 10.1107/S010876730501809X
    • Merli M (2005) Outlier recognition in the crystal structure least-squares modelling by diagnostic techniques based on leverage analysis. Acta Crystallogr A 61:471-477. doi: 10.1107/S010876730501809X
    • (2005) Acta Crystallogr A , vol.61 , pp. 471-477
    • Merli, M.1
  • 23
    • 33748553342 scopus 로고    scopus 로고
    • About the reliability of the maximum entropy method in reconstructing electron density: The case of MgO
    • Merli M, Pavese A (2006) About the reliability of the maximum entropy method in reconstructing electron density: The case of MgO. Z Kristallographie 221:613-620
    • (2006) Z Kristallographie , vol.221 , pp. 613-620
    • Merli, M.1    Pavese, A.2
  • 24
    • 0036672825 scopus 로고    scopus 로고
    • Study of the electron density in MgO, (Mg, Fe)O and Cu2O by maximum entropy method and multipole refinements: Comparison between methods
    • doi: 10.1007/s00269-002-0253-7
    • Merli M, Pavese A, Ranzini M (2002) Study of the electron density in MgO, (Mg, Fe)O and Cu2O by maximum entropy method and multipole refinements: Comparison between methods. Phys Chem Miner 29:455-464. doi: 10.1007/s00269-002-0253-7
    • (2002) Phys Chem Miner , vol.29 , pp. 455-464
    • Merli, M.1    Pavese, A.2    Ranzini, M.3
  • 25
    • 0034971226 scopus 로고    scopus 로고
    • Thermal response of structure and hydroxyl ion of phengite-2 M 1: An in situ neutron diffraction and FTIR study
    • doi: 10.1127/0935-1221/2001/0013-0545
    • Mookherjee M, Refern SAT, Zhang M (2001) Thermal response of structure and hydroxyl ion of phengite-2 M 1: An in situ neutron diffraction and FTIR study. Eur J Mineral 13:545-555. doi: 10.1127/0935-1221/2001/ 0013-0545
    • (2001) Eur J Mineral , vol.13 , pp. 545-555
    • Mookherjee, M.1    Refern, S.A.T.2    Zhang, M.3
  • 26
    • 11144295010 scopus 로고    scopus 로고
    • Micas: Crystal chemistry and metamorphic petrology
    • Mottana A, Sassi FP, Thompson JB, Guggenheim S (eds) In: Mineralogical Society of America, Washington, DC
    • Mottana A, Sassi FP, Thompson JB, Guggenheim S (eds) (2002). Micas: crystal chemistry and metamorphic petrology. In: Reviews in Mineralogy and Geochemistry, Mineralogical Society of America, Washington, DC, p 499
    • (2002) Reviews in Mineralogy and Geochemistry , pp. 499
  • 27
    • 0000328962 scopus 로고    scopus 로고
    • Charge distribution as a tool to investigate structural details: Meaning and application to pyroxenes
    • doi: 10.1107/S0108768199008708
    • Nespolo M, Ferraris G, Ohashi H (1999) Charge distribution as a tool to investigate structural details: Meaning and application to pyroxenes. Acta Crystallogr B 55:902-916. doi: 10.1107/S0108768199008708
    • (1999) Acta Crystallogr B , vol.55 , pp. 902-916
    • Nespolo, M.1    Ferraris, G.2    Ohashi, H.3
  • 28
    • 0001009649 scopus 로고    scopus 로고
    • Charge distribution as a tool to investigate structural details. II. Extension to hydrogen bonds, distorted and hetero-ligand polyhedra
    • doi: 10.1107/S0108768101009879
    • Nespolo M, Ferraris G, Ivaldi G, Hoppe R (2001) Charge distribution as a tool to investigate structural details. II. Extension to hydrogen bonds, distorted and hetero-ligand polyhedra. Acta Crystallogr B 57:652-664. doi: 10.1107/S0108768101009879
    • (2001) Acta Crystallogr B , vol.57 , pp. 652-664
    • Nespolo, M.1    Ferraris, G.2    Ivaldi, G.3    Hoppe, R.4
  • 29
    • 0036855696 scopus 로고    scopus 로고
    • The generalized F constraint in the maximum-entropy method - A study on simulated data
    • doi: 10.1107/S0108767302015556
    • Palatinus L, van Smaalen S (2002) The generalized F constraint in the maximum-entropy method - a study on simulated data. Acta Crystallogr A 58:559-567. doi: 10.1107/S0108767302015556
    • (2002) Acta Crystallogr A , vol.58 , pp. 559-567
    • Palatinus, L.1    van Smaalen, S.2
  • 30
    • 10344237834 scopus 로고    scopus 로고
    • Incommensurate modulations made visible by the maximum entropy method in superspace
    • Palatinus L, van Smaalen S (2004) Incommensurate modulations made visible by the maximum entropy method in superspace. Z Kristallographie 219:719-729
    • (2004) Z Kristallographie , vol.219 , pp. 719-729
    • Palatinus, L.1    van Smaalen, S.2
  • 32
    • 0031420950 scopus 로고    scopus 로고
    • Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): A variable-temperature neutron powder diffraction study
    • Pavese A, Ferraris G, Prencipe M, Ibberson R (1997) Cation site ordering in phengite 3T from the Dora-Maira massif (western Alps): A variable-temperature neutron powder diffraction study. Eur J Mineral 9:1183-1190
    • (1997) Eur J Mineral , vol.9 , pp. 1183-1190
    • Pavese, A.1    Ferraris, G.2    Prencipe, M.3    Ibberson, R.4
  • 33
    • 0033041189 scopus 로고    scopus 로고
    • Tetrahedral order in phengite 2M1 upon heating from powder neutron diffraction, and thermodynamic consequences
    • Pavese A, Ferraris G, Pischedda V, Ibberson R (1999a) Tetrahedral order in phengite 2M1 upon heating from powder neutron diffraction, and thermodynamic consequences. Eur J Mineral 11:309-320
    • (1999) Eur J Mineral , vol.11 , pp. 309-320
    • Pavese, A.1    Ferraris, G.2    Pischedda, V.3    Ibberson, R.4
  • 34
    • 0032728698 scopus 로고    scopus 로고
    • Synchrotron powder diffraction study of phengite 3T from the Dora-Maira massif: P-V-T equation of state and petrological consequences
    • doi: 10.1007/s002690050208
    • Pavese A, Ferraris G, Pischedda V, Mezouar M (1999b) Synchrotron powder diffraction study of phengite 3T from the Dora-Maira massif: P-V-T equation of state and petrological consequences. Phys Chem Miner 26:460-467. doi: 10.1007/s002690050208
    • (1999) Phys Chem Miner , vol.26 , pp. 460-467
    • Pavese, A.1    Ferraris, G.2    Pischedda, V.3    Mezouar, M.4
  • 35
    • 0034074448 scopus 로고    scopus 로고
    • Further study of the cation ordering in phengite 3T by neutron powder diffraction
    • doi: 10.1180/002646100549085
    • Pavese A, Ferraris G, Pischedda V, Radaelli P (2000) Further study of the cation ordering in phengite 3T by neutron powder diffraction. Min Mag (Lond) 64:11-18. doi: 10.1180/002646100549085
    • (2000) Min Mag (Lond) , vol.64 , pp. 11-18
    • Pavese, A.1    Ferraris, G.2    Pischedda, V.3    Radaelli, P.4
  • 36
    • 0035206231 scopus 로고    scopus 로고
    • M1-site occupancy in 3T and 2M1 phengites by low temperature neutron powder diffraction: Reality or artefact?
    • doi: 10.1127/0935-1221/2001/0013-1071
    • Pavese A, Ferraris G, Pischedda V, Fauth F (2001) M1-site occupancy in 3T and 2M1 phengites by low temperature neutron powder diffraction: reality or artefact? Eur J Mineral 13:1071-1078. doi: 10.1127/0935-1221/ 2001/0013-1071
    • (2001) Eur J Mineral , vol.13 , pp. 1071-1078
    • Pavese, A.1    Ferraris, G.2    Pischedda, V.3    Fauth, F.4
  • 37
    • 0037368452 scopus 로고    scopus 로고
    • Deprotonation and order-disorder reactions as a function of temperature in a phengite 3T (Cima Pal, western Alps) by neutron diffraction and Mössbauer spectroscopy
    • doi: 10.1127/0935-1221/2003/0015-0357
    • Pavese A, Curetti N, Ferraris G, Ivaldi G, Russo U, Ibberson R (2003) Deprotonation and order-disorder reactions as a function of temperature in a phengite 3T (Cima Pal, western Alps) by neutron diffraction and Mössbauer spectroscopy. Eur J Mineral 15:357-363. doi: 10.1127/ 0935-1221/2003/0015-0357
    • (2003) Eur J Mineral , vol.15 , pp. 357-363
    • Pavese, A.1    Curetti, N.2    Ferraris, G.3    Ivaldi, G.4    Russo, U.5    Ibberson, R.6
  • 40
    • 0000226494 scopus 로고    scopus 로고
    • Accurate charge density studies as an extension of Bayesian crystal structure determination
    • doi: 10.1107/S010876739800539X
    • Roversi P, Irwin JJ, Bricogne G (1998) Accurate charge density studies as an extension of Bayesian crystal structure determination. Acta Crystallogr A 54:971-996. doi: 10.1107/S010876739800539X
    • (1998) Acta Crystallogr A , vol.54 , pp. 971-996
    • Roversi, P.1    Irwin, J.J.2    Bricogne, G.3
  • 41
    • 20644447737 scopus 로고
    • Accurate structure analysis by the maximum entropy method
    • doi: 10.1107/S0108767389012377
    • Sakata M, Sato M (1990) Accurate structure analysis by the maximum entropy method. Acta Crystallogr A 46:263-270. doi: 10.1107/ S0108767389012377
    • (1990) Acta Crystallogr A , vol.46 , pp. 263-270
    • Sakata, M.1    Sato, M.2
  • 42
    • 0001592604 scopus 로고
    • Electron density distribution from X-ray powder data by use of profile fits and maximum entropy method
    • doi: 10.1107/S0021889890008214
    • Sakata M, Mori R, Kumazawza S, Takata M, Toraya H (1990) Electron density distribution from X-ray powder data by use of profile fits and maximum entropy method. J Appl Crystallogr A 23:526-534. doi: 10.1107/ S0021889890008214
    • (1990) J Appl Crystallogr A , vol.23 , pp. 526-534
    • Sakata, M.1    Mori, R.2    Kumazawza, S.3    Takata, M.4    Toraya, H.5
  • 43
    • 0028322665 scopus 로고
    • On the occurence of metamorphic 2M1 pengites: Some thoughts on polytypism and crystallization condition of 3T phengites
    • Sassi FP, Guidotti CV, Rieder M, De Pieri R (1994) On the occurence of metamorphic 2M1 pengites: Some thoughts on polytypism and crystallization condition of 3T phengites. Eur J Mineral 6:151-160
    • (1994) Eur J Mineral , vol.6 , pp. 151-160
    • Sassi, F.P.1    Guidotti, C.V.2    Rieder, M.3    De Pieri, R.4
  • 44
    • 0043195710 scopus 로고    scopus 로고
    • The maximum entropy method in superspace
    • doi: 10.1107/S010876730301434X
    • van Smaalen S, Palatinus L, Schneider M (2003) The maximum entropy method in superspace. Acta Crystallogr A 59:459-469. doi: 10.1107/ S010876730301434X
    • (2003) Acta Crystallogr A , vol.59 , pp. 459-469
    • van Smaalen, S.1    Palatinus, L.2    Schneider, M.3
  • 46
    • 85001996815 scopus 로고    scopus 로고
    • Comparative crystal chemistry of orthosilicate minerals
    • Smyth JR, Jacobsen SD, Hazen RM (2000b) Comparative crystal chemistry of orthosilicate minerals. Rev Mineral Geochem 41:187-209
    • (2000) Rev Mineral Geochem , vol.41 , pp. 187-209
    • Smyth, J.R.1    Jacobsen, S.D.2    Hazen, R.M.3
  • 47
    • 0033788028 scopus 로고    scopus 로고
    • New insights into the mechanism of chloritization of biotite using polytype analysis
    • Toshihiro K, Banfield JF (2000) New insights into the mechanism of chloritization of biotite using polytype analysis. Am Mineral 85:1202-1208
    • (2000) Am Mineral , vol.85 , pp. 1202-1208
    • Toshihiro, K.1    Banfield, J.F.2
  • 48
    • 0035043861 scopus 로고    scopus 로고
    • Atomic structures of planar defects in oxybiotite
    • Toshihiro K, Nespolo M (2001) Atomic structures of planar defects in oxybiotite. Am Mineral 86:336-340
    • (2001) Am Mineral , vol.86 , pp. 336-340
    • Toshihiro, K.1    Nespolo, M.2
  • 49
    • 0029474244 scopus 로고
    • How do uncertainties of the structure refinements influence the accuracy of the prediction of enthalpy of formation? Examples on muscovite and natrolite
    • doi: 10.1007/BF00200320
    • Vieillard P (1995) How do uncertainties of the structure refinements influence the accuracy of the prediction of enthalpy of formation? Examples on muscovite and natrolite. Phys Chem Miner 22:428-436. doi: 10.1007/BF00200320
    • (1995) Phys Chem Miner , vol.22 , pp. 428-436
    • Vieillard, P.1


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