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Powder diffraction data of the Al0.931Ni1.069Sc5 compound

Published online by Cambridge University Press:  23 January 2023

Weijing Zeng  and
Huashan Liu Open the ORCID record for Huashan Liu [Opens in a new window]
Weijing Zeng
Affiliation:
School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China
Huashan Liu*
Affiliation:
School of Materials Science and Engineering, Central South University, Changsha, Hunan 410083, China
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

A new ternary compound Al0.931Ni1.069Sc5 has been synthesized and studied by means of the X-ray powder diffraction technique. Al0.931Ni1.069Sc5 crystallizes in the hexagonal crystal system with the Al5Co2 structure type, space group P63/mmc, with a = 8.8287(3) Å, c = 8.6959(4) Å, Z = 4 and V = 587.00 Å3, ρcalc = 3.538 g/cm3.

Keywords

Al–Ni–Sc compoundAl0.931Ni1.069Sc5X-ray powder diffraction
Type
Data Report
Information
Powder Diffraction , Volume 38 , Issue 2 , June 2023 , pp. 161 - 163
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Copyright
Copyright © The Author(s), 2023. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

I. INTRODUCTION

In the Al–Ni–Sc ternary system, the crystal structure and X-ray powder diffraction (PXRD) data of five ternary compounds, AlNiSc (Teslyuk and Protasov, Reference Teslyuk and Protasov1965), Al16Ni7Sc6 (Markiv and Burnasheva, Reference Markiv and Burnasheva1969), AlNi2Sc (Dwight and Kimball, Reference Dwight and Kimball1987), Al2NiSc (Gladyshevskii and Parthe, Reference Gladyshevskii and Parthe1992), and Al0.902Ni1.098Sc (Sahlberg et al., Reference Sahlberg, Angstroem, Zlotea, Beran, Latroche and Paygomez2012), have been studied and collected in the Inorganic Crystal Structure Database (ICSD) and ICDD's Powder Diffraction File. Recently, our team has studied phase relations of the Al–Ni–Sc ternary system (He et al., Reference He, Fan, Liu, Peng and Jin2019) and detected four new phases Ni2Al5Sc, Ni2Al4Sc, NiAl2Sc3, and NiAlSc5. The actual composition of the detected phase NiAlSc5 is determined to be Al0.931Ni1.069Sc5 after studied. However, information for the crystal structure of Al0.931Ni1.069Sc5 is not available in the literature. Here, the PXRD data for Al0.931Ni1.069Sc5 is reported.

II. EXPERIMENTAL

A. Sample preparation

The sample of Al0.931Ni1.069Sc5 was prepared by arc melting the stoichiometric amounts of elemental constituents 99.99 Al, 99.99 Ni, and 99.9 Sc (wt%) (supplied by China New Metal Materials Technology Co., Ltd.) under high purity argon atmosphere on a water-cooled copper hearth. To ensure homogeneity of the sample, it was melted four times and weight losses were less than 1 wt%. After melting, the sample was enclosed in an evacuated quartz tube and annealed at 1173 K for 40 days, and then finally cooled down to room temperature at a rate of 10 K/h. The composition (13.40 at.% Al, 15.32 at.% Ni, 71.28 at.% Sc) of the sample was obtained by the electron probe microanalysis (EPMA; JXA-8800R, JEOL, Japan), which is in good agreement with the crystal structure refinement composition of Al0.931Ni1.069Sc5 (13.30 at.% Al, 15.27 at.% Ni, 71.43 at.% Sc). The sample was then grounded to a size smaller than 20 μm for powder diffraction analysis.

B. Data collection

A PXRD pattern (Figure 1) of the new compound Al0.931Ni1.069Sc5 was obtained using a Rigaku D/max 2550 V X-ray diffractometer equipped with CuKα radiation and a graphite monochromator. The 2θ scan range was from 10.02° to 100.04° with a step size of 0.02° and a count time of 1 s/step. The lattice parameters were calculated with the XRD pattern processing program JADE 6.0 (Materials Data Inc., 2002).

Figure 1. The powder X-ray diffraction pattern of Al0.931Ni1.069Sc5.

III. RESULTS AND DISCUSSION

The PXRD pattern of Al0.931Ni1.069Sc5 was indexed using the JADE 6.0 program after smoothing the patterns, fitting the background, and stripping the CuKα 2 peaks. All lines were successfully indexed in the hexagonal system with the lattice parameters a = 8.8287(3) Å, c = 8.6959(4) Å, and the Al5Co2 (Burkhardt et al., Reference Burkhardt, Ellner, Grin and Baumgartner1998) structure type. Details of the crystal structure for Al0.931Ni1.069Sc5 will be given in our further publication. The observed X-ray powder diffraction data are listed in Table I.

TABLE I. Indexed X-ray powder diffraction data for the Al0.931Ni1.069Sc5 compound.

IV. DEPOSITED DATA

The raw data file of Al0.931Ni1.069Sc5 has been deposited with ICDD. You may request this data from ICDD at .

FUNDING STATEMENT

This work was financially supported by the National Key Research and Development Program of China (Grant No. 2016YFB0701404).

References

REFERENCES

Burkhardt, U., Ellner, M., Grin, Y., and Baumgartner, B.. 1998. “Powder Diffraction Refinement of the Co2Al5 Structure.” Powder Diffraction 13: 159–62.CrossRefGoogle Scholar
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JADE Version 6.0. 2002. XRD Pattern Processing. Livermore, CA, Materials Data Inc.Google Scholar
Markiv, V. Y., and Burnasheva, V. V.. 1969. “New Ternary Compounds in the Systems (Sc, Ti, Zr, Hf) - (V, Cr, Mn, Fe, Co, Ni, Cu) - (Al, Ga).” Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Tekhnichni ta Matematichni Nauki 5: 463–4.Google Scholar
Sahlberg, M., Angstroem, J., Zlotea, C., Beran, P., Latroche, M., and Paygomez, C.. 2012. “Structure and Hydrogen Storage Properties of the Hexagonal Laves Phase Sc(Al(1-x)Ni(x))2.” Journal of Solid State Chemistry 196 (12): 132–7.CrossRefGoogle Scholar
Teslyuk, M. Y., and Protasov, V. S.. 1965. “Crystal Structure of Ternary Compounds ScCoAl and ScNiAl.” Dopovidi Akademii Nauk Ukrains'koi RSR 5: 599–601.Google Scholar
Figure 0

Figure 1. The powder X-ray diffraction pattern of Al0.931Ni1.069Sc5.

Figure 1

TABLE I. Indexed X-ray powder diffraction data for the Al0.931Ni1.069Sc5 compound.