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Pawley method

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Plot showing the results of the Rietveld crystal-structure refinement for kitagohaite. The observed data (blue circles), calculated (red line) and difference (green line) profiles are shown together with peak positions (vertical dashes in red). Peaks due to the presence of hongshiite were approximated by the whole-powder-pattern-fitting Pawley method. Additional solitary peaks at ~20.62, 22.96, 41.94, 47.21 and 47.93, corresponding to admixture(s) of other phase(s), were fitted individually with the pseudo-Voigt function. a.u. = arbitrary unit.
Published: 01 June 2014
were approximated by the whole-powder-pattern-fitting Pawley method. Additional solitary peaks at ~20.62, 22.96, 41.94, 47.21 and 47.93, corresponding to admixture(s) of other phase(s), were fitted individually with the pseudo-Voigt function. a.u. = arbitrary unit.
Journal Article
Published: 01 October 2018
American Mineralogist (2018) 103 (10): 1649–1662.
... the accuracy, and to a lesser extent the precision, of three different non-traditional Rietveld refinement methods for carbon accounting: (1) the PONKCS method, (2) the combined use of a Pawley fit for serpentine minerals and an internal standard (Pawley/internal standard method), and (3) the combined use...
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Modeling pyroaurite using with the Pawley/internal standard method and (a) no March-Dollase preferred orientation, and a March-Dollase correction with (b) no minimum value, (c) a minimum of 0.6, and (d) a minimum of 0.75. Refined pyroaurite abundance (absolute error) and Rwp is reported for each of the conditions.
Published: 01 October 2018
Figure 2. Modeling pyroaurite using with the Pawley/internal standard method and ( a ) no March-Dollase preferred orientation, and a March-Dollase correction with ( b ) no minimum value, ( c ) a minimum of 0.6, and ( d ) a minimum of 0.75. Refined pyroaurite abundance (absolute error) and R wp
Journal Article
Published: 01 August 2006
American Mineralogist (2006) 91 (8-9): 1331–1341.
... Carbon disposal mineral sequestration quantitative phase analysis Rietveld method Pawley method X-ray powder diffraction serpentinite mine tailings carbonation order-disorder Carbonate crusts are observed in mine tailings within months of tailings deposition, indicating that mineral...
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Journal Article
Published: 01 April 2025
American Mineralogist (2025) 110 (4): 525–536.
... to be sufficiently well-ordered that the standard Rietveld approach, which is less labor-intensive, can be used. Pawley’s ( 1981 ) framework for unit-cell refinement from powder diffraction data is a structureless fitting method that does not require prior knowledge of atomic structure and thus can be applied...
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Journal Article
Published: 01 March 2003
European Journal of Mineralogy (2003) 15 (2): 241–246.
... structural study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radiation . Min. Mag ., 65 , 41 – 58 . Pawley , A.R. , Redfern , S.A.T. , Holland , T.J.B. ( 1996 ): Volume behaviour of hydrous minerals at high pressure and temperature: I. Thermal...
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Journal Article
Journal: GSA Bulletin
Published: 25 August 2022
GSA Bulletin (2023) 135 (5-6): 1178–1186.
... methods under high P-T conditions of up to 6.1 GPa and 1073 K. The α V and (∂K T /∂T) P obtained for zoisite by Pawley et al. (1998) are 15.8% higher and 62.8% lower than the results of this study, respectively. We infer that the main reason for the differences in α V and (∂K T /∂T) P...
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Journal Article
Journal: Geosphere
Published: 01 October 2010
Geosphere (2010) 6 (5): 515–523.
..., in situ, with attainable resolutions <90 nm/pixel edge. LSCM images illustrate track morphology and fragmentation history; image segmentation techniques provide quantifiable volumetric and dynamic measurements. We present a method for multipart image acquisition and registration in 3D. Additionally, we...
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Journal Article
Journal: Geology
Published: 15 April 2021
Geology (2021) 49 (8): 911–915.
... -H 2 O (MSH) or MgO-Al 2 O 3 -SiO 2 -H 2 O (MASH), provided evidence that there are many dense hydrous Mg-silicates that are stable at P > 6 GPa for very low geothermal gradients (<3.3 °C/km) that would be able to transport H 2 O to the lowermost upper mantle ( Pawley and Wood, 1995a...
FIGURES
Journal Article
Published: 01 February 2002
American Mineralogist (2002) 87 (2-3): 333–338.
...) used a volume-biased average of the heat capacities of brucite and forsterite to estimate the C P ( T ), derivation of entropy and enthalpy values using either of these two methods is expected to reach agreement (A. Navrotsky, personal communication). Both studies employed Pawley et al.’s (1995...
FIGURES
Journal Article
Published: 01 November 2010
American Mineralogist (2010) 95 (11-12): 1671–1678.
... to unreliable methods of measuring water content. For example, the value of x = 2 estimated by Yamamoto and Akimoto (1977) and Pawley and Wood (1995) was based solely on the fact that the starting material contained that amount of H 2 O [3Mg(OH) 2 +4SiO 2 ]. In contrast, the lower values of x were...
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Journal Article
Published: 01 February 2016
American Mineralogist (2016) 101 (2): 431–436.
... be related to the onset of the formation of “long-run” 10 Å phase through the appearance of silanol groups following the model proposed by Pawley et al. (2010) , influencing the interlayer hydrogen bonding. * E-mail: [email protected] Manuscript handled by G. Diego Gatta 21 3 2015...
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Journal Article
Published: 01 January 2000
American Mineralogist (2000) 85 (1): 206–216.
... pressures. Pawley et al. (1998) supposed that the initial compression which has been measured using the NaCl pressure standard was not experienced by the sample material during the Holland et al. (1996) experiments. Alternatively, the 4:1 methanol-ethanol mixture used by Holland et al. (1996...
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Journal Article
Published: 01 July 2006
American Mineralogist (2006) 91 (7): 1081–1088.
... obtained by Kitahara et al. (1966) and Pawley (1998) differing by as much as 140 °C at 2 GPa (see Fig. 1 ), despite similar experimental techniques and starting materials. The experimental brackets obtained by ( Pawley 1998 ) are displaced to considerably lower temperatures than in the previous study...
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Journal Article
Published: 24 April 2024
Mineralogical Magazine (2024) 88 (3): 319–326.
... of the suspension on to a zero-background silicon substrate. The PXRD data were analysed using the software suite TOPAS-Academic (Coelho, 2018 ) to refine the unit cell parameters using the Pawley refinement method. Fourier-transform infrared spectroscopy (FTIR) spectra were collected using a Perkin Elmer...
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Journal Article
Published: 01 June 2014
Mineralogical Magazine (2014) 78 (3): 739–745.
... were approximated by the whole-powder-pattern-fitting Pawley method. Additional solitary peaks at ~20.62, 22.96, 41.94, 47.21 and 47.93, corresponding to admixture(s) of other phase(s), were fitted individually with the pseudo-Voigt function. a.u. = arbitrary unit. ...
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Journal Article
Published: 01 August 2001
Mineralogical Magazine (2001) 65 (4): 489–507.
... the Pawley method ( Pawley, 1981 ) within the same routines ( David et al. , 1992 ). These were used in the reverse Monte Carlo modelling described below. (7) \batchmode \documentclass[fleqn,10pt,legalpaper]{article} \usepackage{amssymb} \usepackage{amsfonts} \usepackage{amsmath} \pagestyle{empty...
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Journal Article
Published: 01 April 2014
American Mineralogist (2014) 99 (4): 712–719.
...Alison R. Pawley; Mark D. Welch Abstract Infrared spectroscopy and X-ray diffraction are used to evaluate the OH and H 2 O environments in 10 Å phase (“TAP”), nominally Mg 3 Si 4 O 10 (OH) 2 ·H 2 O. Two partially deuterated samples of TAP synthesized under different conditions have very similar IR...
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Journal Article
Published: 01 January 2021
American Mineralogist (2021) 106 (1): 1–6.
... (1971) . XRD patterns were analyzed using a program, X-rayAna, by which the unit-cell parameters were calculated from the peak positions using the least-squares method. To calculate the unit-cell parameters, 5–7 diffraction peaks from NaCl and 6–11 peaks from phase A were used. In the P-V-T...
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Journal Article
Published: 02 January 2004
Reviews in Mineralogy and Geochemistry (2004) 56 (1): 83–124.
... at reference conditions for a) zoisite-orthoepidote solid solutions, open circles: Seki (1959) , Pistorius (1961) , Newton (1965 , 1966), Dollase (1968) , Kiseleva et al. (1974) , Storre et al. (1982) , Heinrich and Althaus (1988) , Smith et al. (1987) , Shannon and Rossman (1992) , Pawley et al...
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