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Strained-tetrahedra statistical model for atomic distances and site occupations in ternary intermetallic M3(XX′) structures Ni3(AlFe) case

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Title: Strained-tetrahedra statistical model for atomic distances and site occupations in ternary intermetallic M3(XX′) structures Ni3(AlFe) case
Authors: Robouch, B.V. benjamin.robouch@tin.it, Burattini, E., Kisiel, A., Suvorov, A.L., Zaluzhnyi, A.G.
Source: Journal of Alloys & Compounds. Sep2003, Vol. 359 Issue 1/2, p73. 6p.
Subjects: Intermetallic compounds, Alloys, Transition metals
Abstract: The strained-tetrahedra statistical model is applied to intermetallic M3(XX′) alloys aiming to determine from EXAFS data, elemental tetrahedron preferences and structural dimensions. Atoms M∈{Ni, Co, Cu} and X∈{Al, Ti, Nb, Mo, Hf, Ta, W, Fe, Cr, Mn} form face-centered-cubic crystal cell M3X binary intermetallic compounds with Cu3Au ordering. Ternary intermetallic alloys can be of the type M3(X1−xX′x)1 or (M1−yM′y)3X1. As per the literature, atoms of each set cling to their respective ‘M face’ and ‘X corner’ sublattice sites, while X″∈{Fe, Cr, Mn} atoms beyond a threshold overall relative content cM≤3/4 also invade the ‘corner’ sublattice, behaving like M″ atoms. With this in mind, the model is applied to Ni3(Al1−xFex)1 EXAFS data of the intermetallic (with Ni>75%) to determine Fe-atom site occupation preferences (with respect to random). The resulting five values are {1, 1.10, 0.85, 1.33, 1}. The physical, stoichiometric conditions imposed by the statistical model show that only four of the five tetrahedral configurations occur in Ni3AlFe, analogous to what is observed in semiconducting II–VI group ternaries with Mn, a transition element. [Copyright &y& Elsevier]
Copyright of Journal of Alloys & Compounds is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Data: Strained-tetrahedra statistical model for atomic distances and site occupations in ternary intermetallic M<subscript>3</subscript>(XX′) structures Ni<subscript>3</subscript>(AlFe) case
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  Data: <searchLink fieldCode="AR" term="%22Robouch%2C+B%2EV%2E%22">Robouch, B.V.</searchLink><i> benjamin.robouch@tin.it</i><br /><searchLink fieldCode="AR" term="%22Burattini%2C+E%2E%22">Burattini, E.</searchLink><br /><searchLink fieldCode="AR" term="%22Kisiel%2C+A%2E%22">Kisiel, A.</searchLink><br /><searchLink fieldCode="AR" term="%22Suvorov%2C+A%2EL%2E%22">Suvorov, A.L.</searchLink><br /><searchLink fieldCode="AR" term="%22Zaluzhnyi%2C+A%2EG%2E%22">Zaluzhnyi, A.G.</searchLink>
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  Data: The strained-tetrahedra statistical model is applied to intermetallic M3(XX′) alloys aiming to determine from EXAFS data, elemental tetrahedron preferences and structural dimensions. Atoms M∈{Ni, Co, Cu} and X∈{Al, Ti, Nb, Mo, Hf, Ta, W, Fe, Cr, Mn} form face-centered-cubic crystal cell M3X binary intermetallic compounds with Cu3Au ordering. Ternary intermetallic alloys can be of the type M3(X1−xX′x)1 or (M1−yM′y)3X1. As per the literature, atoms of each set cling to their respective ‘M face’ and ‘X corner’ sublattice sites, while X″∈{Fe, Cr, Mn} atoms beyond a threshold overall relative content cM≤3/4 also invade the ‘corner’ sublattice, behaving like M″ atoms. With this in mind, the model is applied to Ni3(Al1−xFex)1 EXAFS data of the intermetallic (with Ni>75%) to determine Fe-atom site occupation preferences (with respect to random). The resulting five values are {1, 1.10, 0.85, 1.33, 1}. The physical, stoichiometric conditions imposed by the statistical model show that only four of the five tetrahedral configurations occur in Ni3AlFe, analogous to what is observed in semiconducting II–VI group ternaries with Mn, a transition element. [Copyright &y& Elsevier]
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  Data: <i>Copyright of Journal of Alloys & Compounds is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Text: English
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              Text: Sep2003
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