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X-ray powder diffraction data for compound Er3Co4Al12

Published online by Cambridge University Press:  29 May 2013

Zhenwei Wen ,
Chen Liu ,
Lingmin Zeng  and
Jialin Yan
Zhenwei Wen
Affiliation:
College of Materials Science and Engineering, Guangxi University, Nanning, Guangxi, 530004, China
Chen Liu
Affiliation:
College of Materials Science and Engineering, Guangxi University, Nanning, Guangxi, 530004, China
Lingmin Zeng
Affiliation:
College of Materials Science and Engineering, Guangxi University, Nanning, Guangxi, 530004, China
Jialin Yan*
Affiliation:
College of Materials Science and Engineering, Guangxi University, Nanning, Guangxi, 530004, China
*
a)Author to whom correspondence should be addressed. Electronic mail: yjl@gxu.edu.cn
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Abstract

A new compound Er3Co4Al12 was prepared by arc melting under argon atmosphere. The powder X-ray diffraction data of Er3Co4Al12 were successfully indexed, giving a hexagonal structure with a = 8.6185(2) Å, c = 9.2347(3) Å, and unit-cell volume V = 594.04 Å3. Compound Er3Co4Al12 has the Gd3Ru4Al12 type-structure, Z = 2 and space group P63/mmc.

Keywords

erbium cobalt aluminumpowder X-ray diffraction
Type
New Diffraction Data
Information
Powder Diffraction , Volume 28 , Issue 4 , December 2013 , pp. 293 - 295
Copyright
Copyright © International Centre for Diffraction Data 2013 

I. INTRODUCTION

The RE–Co–Al (RE = rare earth) system is the basic system for the rare earth-based bulk metallic glasses, which have been the subject of recent intensive studies owing to their excellent glass forming ability, good mechanical and magnetic properties (Luo and Wang, Reference Luo and Wang2009). A new compound RE3Co4Al12 (RE = Dy, Er) was found during our investigation of the phase equilibria in the Er–Co–Al and Dy–Co–Al ternary systems. Analysis of the X-ray diffraction data of the compound showed that RE3Co4Al12 has the hexagonal Gd3Ru4Al12 type-structure, Z = 2, space group P63/mmc, isostructural with the compound U3Co4Al12 (Tougait et al., Reference Tougait, Noël and Troc2004). In this paper, the X-ray powder diffraction data up to 110°2θ of the new compound Er3Co4Al12 are reported.

II. EXPERIMENTAL

The sample was prepared by arc melting of Er (99.95%), Co (99.9%), and Al (99.99%) on a water-cooled copper hearth with a non-consumable tungsten electrode under argon atmosphere. The sample was turned and remelted three times to ensure sample homogeneity. The ingot obtained was annealed in an evacuated quartz tube at 600 °C for 600 h and then cooled down slowly to 500 °C, kept for 480 h before quenching in liquid nitrogen. Specimen for XRD measurements was ground in agate mortar and pestle to a particle size of less than 10 µm, loaded in Al well and gently pressed. Two sets of the powder XRD patterns, with or without Si added as an internal standard, were collected at room temperature on a Rigaku D/Max 2500 V diffractometer with CuKα 1 (λ = 1.54060 Å) and a graphite monochromator. The scan ranged from 10 to 110° 2θ with a step size of 0.02° and a counting time of 2 s per step. The XRD pattern recorded from the specimen added with high purity Si (99.999%) internal standard was used to obtain the observed peak positions 2θ obs for indexing, while the XRD pattern without Si internal standard was used for the observed peak height I obs. The Jade software package (Materials Data, Inc., Livermore, California) was used to analyze the data. The 2θ obs values of the peaks were determined by the Savitzky–Golay second derivative method after background subtracting, Kα 2 stripping and Si internal standard calibration using PDF 027-1402 (ICDD, Reference Kabekkodu2011) with λ = 1.540598 Å. Pattern indexing was performed using the program TREOR (Werner et al., Reference Werner, Eriksson and Westdahl1985) and the values of unit-cell parameters were obtained.

III. RESULTS

The powder XRD pattern indicated that the trace amount of the impurity phase identified as Er2O3 (PDF 43-1007) (ICDD, Reference Kabekkodu2011) was detected as well as Er3Co4Al12. The strongest reflection of the Er2O3 phase did not overlap with those of Er3Co4Al12 and its peak height is less than 3%. The experimental XRD pattern of compound Er3Co4Al12 is shown in Figure 1. All lines except for those corresponding to Er2O3 were successfully indexed using TREOR and it showed that the compound Er3Co4Al12 is hexagonal with unit-cell parameters a = 8.6185(2) Å, c = 9.2347(3) Å, and unit-cell volume V = 594.04 Å3. The figure of merit for indexing F N (Smith and Snyder, Reference Smith and Snyder1979) is F 30 = 123.2 (0.0058, 42). The X-ray powder diffraction data for Er3Co4Al12 are listed in Table I. The peak height values of the calculated relative intensities I cal were obtained using the LAZY-PULVERIX program (Yvon K et al., Reference Yvon, Jeitschko and Parthe1977) based on the structure of the compound U3Co4Al12 (Tougait et al., Reference Tougait, Noël and Troc2004). All reflections are consistent with the P63/mmc space group.

Figure 1. Powder diffraction pattern of Er3Co4Al12 (CuKα 1 radiation, λ = 1.54060 Å, 40 kV, 150 mA, step size 0.02°, and counting time 1 s per step).

Table I. X-ray powder diffraction data for Er3Co4Al12 [P63/mmc, a = 8.6185(2) Å, c = 9.2347(3)  Å, V = 594.04 Å3, Z = 2, CuK α 1, and λ = 1.54060 Å]. Only those peaks with I obs of 1 or greater are presented.

SUPPLEMENTARY MATERIALS AND METHODS

The Supplementary material referred to in this article can be found online at journals.cambridge.org/pdj.

ACKNOWLEDGEMENTS

This work was supported by the Natural Science Foundation of Guangxi (No. 0991053) and SRF for ROCS, SEM.

References

ICDD (2011). PDF-2 2011 (Database), edited by Kabekkodu, S. (International Centre for Diffraction Data, Newtown Square, PA, USA).Google Scholar
Luo, Q. and Wang, W. H. (2009). “Rare earth based bulk metallic glasses,” J. Non-Cryst. Solids 355, 759–775.Google Scholar
Smith, G. S. and Snyder, R. L. (1979). “FN: A criterion for rating powder diffraction patterns and evaluating the reliability of powder-pattern indexing,” J. Appl. Crystallogr. 12, 60–65.Google Scholar
Tougait, O., Noël, H., and Troc, R. (2004). “Spin-glass like behavior in a new ternary uranium cobalt aluminide, U3Co4+ x Al12− x with x = 0.55(2),” J. Solid State Chem. 177, 2053–2057.Google Scholar
Werner, P.-E., Eriksson, L., and Westdahl, M. (1985). “TREOR, a semi-exhaustive trial-and-error powder indexing program for all symmetries,” J. Appl. Crystallogr. 18, 367–370.Google Scholar
Yvon, K., Jeitschko, W., and Parthe, E. (1977). “LAZY PULVERIX, a computer program for calculating x-ray and neutron diffraction powder patterns,” J. Appl. Crystallogr. 10, 73–74.Google Scholar
Figure 0

Figure 1. Powder diffraction pattern of Er3Co4Al12 (CuKα1 radiation, λ = 1.54060 Å, 40 kV, 150 mA, step size 0.02°, and counting time 1 s per step).

Figure 1

Table I. X-ray powder diffraction data for Er3Co4Al12 [P63/mmc, a = 8.6185(2) Å, c = 9.2347(3)  Å, V = 594.04 Å3, Z = 2, CuK α1, and λ = 1.54060 Å]. Only those peaks with Iobs of 1 or greater are presented.

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