README.txt file was created on 2019-01-14 ----- GENERAL INFORMATION ----- # Data Title: <111> single crystal NaAu2 # Data keywords: Bridgman growth, single crystal growth, (111) catalytic surface, sample surface characterization, intermetallic NaAu2 # Data Abstract: These are the original images, parameter files, and data for the figures in the manuscript “Bulk Single Crystal Growth and Sample Surface Preparation of Catalytic NaAu2” submitted to Journal of Alloys and Compounds. Figure 1 is images of phases that were found in the crystal growth. Figure 2 is two theta vs intensity x-ray diffraction scans of bulk powder and of an oriented crystal face after different treatments. Figure 3 is a Laue diffraction image of an oriented crystal face. Figure 4 is the theta vs intensity rocking curve of an oriented crystal face at three different rotations about phi. # Authors: Author: Deborah L. Schlagel Institution: Division of Materials Sciences and Engineering, Ames Laboratory Email: Schlagel@ameslab.gov Author: Matthew F. Besser Institution: Division of Materials Sciences and Engineering, Ames Laboratory Email: Vulcan@ameslab.gov Author: Chad D. Yuen Institution: Department of Chemistry, Iowa State University Email: chadyuen@augustana.edu Author: Holly Walen Institution: Department of Chemistry, Iowa State University Email: holly.walen@riken.jp Author: Emma J. Kwolek Institution: Department of Chemistry, Iowa State University Email: emma.j.kwolek@gmail.com Author: Patricia A. Thiel Institution: Division of Materials Sciences and Engineering, Ames Laboratory; Division of Materials Sciences and Engineering, Ames Laboratory; Department of Materials Science and Engineering, Iowa State University Email: thiel@ameslab.gov Author: Thomas A. Lograsso Institution: Division of Materials Sciences and Engineering, Ames Laboratory; Department of Materials Sciences and Engineering, Iowa State University Email: Lograsso@ameslab.gov # Associated publications Deborah L. Schlagel, Matthew F. Besser, Chad D. Yuen, Holly Walen, Emma J. Kwolek, Patricia A. Thiel, Thomas A. Lograsso, Journal of Alloys and Compounds, submitted (manuscript number JALCOM-D-18-05123R1) ----- FILE DIRECTORY ----- # FILE NAMES: File names reference figures from the associated publication. # FILE LIST Fig 1a.bmp - Scanning electron microscope (SEM) image of the grown crystal's crucible/alloy interface Fig 1a.txt – instrument parameters Fig 1b.tif - SEM image of NaTa 2nd phase that is only occasionally present. Fig 2a pa14862.PDF - XRD x,y data and instrument parameters of bulk single crystal ground into powder Fig 2a pa14862.txt- x-ray diffraction (XRD), two theta vs intensity values Fig 2b PA15935.txt - XRD, two theta vs intensity values Fig 2b PA15935.PDF - XRD x,y data and instrument parameters of (111) sample face after sputter annealing Fig 2c PA15959.txt - XRD, two theta vs intensity values Fig 2c PA15959.PDF - XRD x,y data and instrument parameters of (111) sample face after repolishing. Fig 3.tif - RC sample 100mm.tif - Laue back reflection image from the same crystal face that the rocking curve data, shown in fig. 4, was collected on; Sample to detector distance = 100 mm. (111) face was polished to 1 micron diamond using metallography techniques for soft materials. Sample was polished until spots no longer improved indicating surface damage had been removed. This is a raw unadjusted image and is best viewed with a program with image adjustment controls. Fig 4 BR01178_exported_exported_0.txt - x,y data corresponding to rocking curve data collected on a (111) sample face rotated at 0 degrees phi. Fig 4 BR01178_exported_exported_1.txt - x,y data corresponding to rocking curve data collected on a (111) sample face rotated at 45 degrees phi. Fig 4 BR01178_exported_exported_2.txt - x,y data corresponding to rocking curve data collected on a (111) sample face rotated at 90 degrees phi. # Notes: Formats for Fig 1a and Fig 1b differ as they were collected on different instruments (see Equipment section) ----- METHODS AND MATERIALS ----- ------- EQUIPMENT ------- Figure 1a Manufacturer: JEOL Model: 5910LV Additional Notes: scanning electron microscope (SEM) with energy-dispersive x-ray spectroscopy (EDS) capability. Figure 1b Manufacturer: Thermo Fisher Scientific - FEI Model: Quanta Embedded Software/Firmware Name: Oxford Instruments AZtec Additional Notes: SEM with EDS capability. Figure 2 Manufacturer: PANalytical B.V. Almelo, The Netherlands Model: X’Pert PRO Embedded Software/Firmware Name: X’Pert Data Collector Embedded Software/Firmware Version: 2.1 Figure 3 Manufacturer: Photonic Science: Scientific Detector Systems Embedded Software/Firmware Name: Photonic Science Python Powered Software Embedded Software/Firmware Version: 2.7 Additional Notes: back reflection Laue CCD camera mounted on a Philips PW 1830 x-ray generator Figure 4 Manufacturer: Bruker Model: D8 Advance Embedded Software/Firmware Name: Diffrac.eva by Bruker AXS Embedded Software/Firmware Version: 4.0