Determination of the cation distribution in Fe2Ni(PO4)2 using isotopic substitution and powder neutron diffraction
Determination of the cation distribution in Fe2Ni(PO4)2 using isotopic substitution and powder neutron diffraction
The distribution of divalent iron and nickel over the two metal sites with differing coordination geometry in Fe2Ni(PO4)2, sarcopside, has been investigated using time-of-flight powder neutron diffraction of nickel isotopically substituted materials. Data from four separate samples were collected using HRPD at ISIS, containing natNi, 58Ni, 60Ni and 62Ni, under identical conditions. The occupancy of iron on the M(1) site was found to be 0.290 (1) from a combined-data-set Rietveld refinement of the three isotopically substituted samples, compared with 0.26 (4) and 0.26 (15) respectively from this and a previous time-of-flight powder neutron diffraction study using natural-abundance nickel, and 0.366 (6) and 0.376 (3) using anomalous X-ray scattering techniques. A critical comparison of isotope substitution neutron diffraction and anomalous X-ray scattering methods for distinguishing nickel and iron from powder data is presented.
resonant x-ray, anomalous scattering, magnetic-structure, contrast, valence, glasses, environment, neutron diffraction, isotope substitution, site occupancy
1361-1367
Henry, P.F.
7a749ff8-32f2-4075-9d7f-1852a62cf88e
Weller, M.T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Wilson, C.C.
46354f2e-f96e-4fba-b204-ab625ca41c38
1 December 2003
Henry, P.F.
7a749ff8-32f2-4075-9d7f-1852a62cf88e
Weller, M.T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Wilson, C.C.
46354f2e-f96e-4fba-b204-ab625ca41c38
Henry, P.F., Weller, M.T. and Wilson, C.C.
(2003)
Determination of the cation distribution in Fe2Ni(PO4)2 using isotopic substitution and powder neutron diffraction.
Journal of Applied Crystallography, 36 (6), .
(doi:10.1107/S0021889803017515).
Abstract
The distribution of divalent iron and nickel over the two metal sites with differing coordination geometry in Fe2Ni(PO4)2, sarcopside, has been investigated using time-of-flight powder neutron diffraction of nickel isotopically substituted materials. Data from four separate samples were collected using HRPD at ISIS, containing natNi, 58Ni, 60Ni and 62Ni, under identical conditions. The occupancy of iron on the M(1) site was found to be 0.290 (1) from a combined-data-set Rietveld refinement of the three isotopically substituted samples, compared with 0.26 (4) and 0.26 (15) respectively from this and a previous time-of-flight powder neutron diffraction study using natural-abundance nickel, and 0.366 (6) and 0.376 (3) using anomalous X-ray scattering techniques. A critical comparison of isotope substitution neutron diffraction and anomalous X-ray scattering methods for distinguishing nickel and iron from powder data is presented.
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Published date: 1 December 2003
Keywords:
resonant x-ray, anomalous scattering, magnetic-structure, contrast, valence, glasses, environment, neutron diffraction, isotope substitution, site occupancy
Identifiers
Local EPrints ID: 19978
URI: http://eprints.soton.ac.uk/id/eprint/19978
ISSN: 0021-8898
PURE UUID: e1c6b8cd-867e-4943-bf11-a3d651041daf
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Date deposited: 24 Feb 2006
Last modified: 15 Mar 2024 06:21
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Author:
P.F. Henry
Author:
M.T. Weller
Author:
C.C. Wilson
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