2007
DOI: 10.1107/s1600536807005302
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Redetermination of iron(III) arsenate dihydrate

Abstract: Key indicatorsSingle-crystal X-ray study T = 293 K Mean (e-O) = 0.003 Å R factor = 0.024 wR factor = 0.059 Data-to-parameter ratio = 10.6For details of how these key indicators were automatically derived from the article, see

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Cited by 25 publications
(8 citation statements)
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“…Solid lines are data; dashed lines are fits (fit results in Table 3). [38]. d A-B is the absorber-backscatterer pair; N is the number of backscattering atoms at distance (R); σ 2 (Debye Waller term) is the absorber-backscatterer mean-square relative displacement; ∆E O is the energy shift in the least-squares fit; χ 2 is a reduced least-squares goodness-of-fit parameter (=(F-factor)/(#points -#variables)); scale factor (S 2 o ) fixed at 1. e Fraction corresponded to (a.)…”
Section: Discussionmentioning
confidence: 99%
“…Solid lines are data; dashed lines are fits (fit results in Table 3). [38]. d A-B is the absorber-backscatterer pair; N is the number of backscattering atoms at distance (R); σ 2 (Debye Waller term) is the absorber-backscatterer mean-square relative displacement; ∆E O is the energy shift in the least-squares fit; χ 2 is a reduced least-squares goodness-of-fit parameter (=(F-factor)/(#points -#variables)); scale factor (S 2 o ) fixed at 1. e Fraction corresponded to (a.)…”
Section: Discussionmentioning
confidence: 99%
“…The details about XAS data collection and analysis are in the SI. The XAS data analysis was completed using earlier published approaches. The Fe and Se K-edge XANES spectra were analyzed by linear combination fitting using Fe­(III), Fe­(II), and Se­(IV) and Se­(VI) standards.…”
Section: Methodsmentioning
confidence: 99%
“…XAFS data were processed using the Athena and SixPack interfaces to IFEFFIT . Backscattering phase and amplitude functions for structural analysis of the extended X-ray absorption fine structure (EXAFS) spectra were calculated using FEFF 7.02 from the structure of scorodite, FeAsO 4 ·2H 2 O . The amplitude reduction factor, S 0 2 , was fixed to 1.0 for fitting.…”
Section: Methodsmentioning
confidence: 99%
“…48 Backscattering phase and amplitude functions for structural analysis of the extended X-ray absorption fine structure (EXAFS) spectra were calculated using FEFF 7.02 49 from the structure of scorodite, FeAsO 4 3 2H 2 O. 50 The amplitude reduction factor, S 0 2 , was fixed to 1.0 for fitting. All spectra for each mineral were refined versus a single starting structural model consisting of AsÀO and AsÀFe single scattering paths and three multiple scattering paths: a triangular AsÀOÀO path, a collinear AsÀOÀAsÀO path, and a noncollinear AsÀOÀAsÀO path.…”
Section: ' Introductionmentioning
confidence: 99%