This DEEMYAD_readme20250212.txt file was generated on 20250212 by Madison Golden ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset Lithium isotopes XRD raw data 2. Author Information Principal Investigator Contact Information Name: Shanti Deemyad Institution: University of Utah Department: Physics and Astronomy Address: 115S 1400E JFB 201 Email: deemyad@physics.utah.edu ORCID: 0000-0001-5661-8801 Associate or Co-investigator Contact Information Name: Iren Saffarian-Deemyad Institution: Stanford Univeristy Department: Physics ORCID: 0000-0002-0167-9823 Associate or Co-investigator Contact Information Name: William Holle Institution: University of Utah Department: Physics and Astronomy ORCID: 0000-0003-0809-7241 3. Date of data collection (single date, range, approximate date) 2019-10-10 to 2022-12-20 4. Geographic location of data collection (where was data collected?): Argonne national Laboratories 5. Information about funding sources that supported the collection of the data: The authors are grateful for the experimental assistance 656 provided by Tushar Bhowmick, Mason Burden, Adam Dock- 657 ery, Audrey Glende, Alice Leppert, Tessa McNamee, Fatemeh 658 Safari, Saveez Saffarian, and Julia St. Andre during sample 659 preparation and XRD data collection. Funding for this re- 660 search is provided by the National Science Foundation under 661 Awards No. PHY-2020249 (S.R.) and No. DMR-2136038 662 (F.B.). Calculations were performed at the Center for Com- 663 putational Research at SUNY Buffalo [66]. The experimental 66416 research at the University of Utah received support from the 665 National Science Foundation Division of Materials Research 666 Award No. 2132692. This work was also supported by the 667 U.S. Department of Energy (DOE) Office of Science, Fusion 668 Energy Sciences funding award entitled High Energy Density 669 Quantum Matter, Award No. DE-SC0020340. Travel funds 670 for student participation in experiments at Argonne National 671 Laboratory were provided in part by the Undergraduate Re- 672 search Opportunities Program of the University of Utah, the 673 National Science Foundation (NSF) Award No. 1950409, and 674 the University of Utah Physics & Astronomy Summer Under- 675 graduate Research Program (SURP). The experimental work 676 took place at HPCAT (Sector 16), Advanced Photon Source 677 (APS), Argonne National Laboratory. HPCAT operations are 678 supported by DOE-NNSA’s Office of Experimental Sciences. 679 The APS is a DOE Office of Science User Facility operated for 680 the DOE Office of Science by Argonne National Laboratory 681 under Contract No. DE-AC02-06CH11357. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: CC0 - public domain 2. Links to publications that cite or use the data: https://doi.org/10.48550/arXiv.2312.17498; https://journals.aps.org/prb/accepted/df07bY23C0310b8f44ab2925c1c4b4f880c04b611 3. Links to other publicly accessible locations of the data: NA 4. Links/relationships to ancillary data sets: NA 5. Was data derived from another source? No 6. Recommended citation for the data: Deemyad, S., Saffarian-Deemyad, I., Holle, W. Lithium isotopes XRD raw data. (2025) The Hive. doi.org/10.7278/S5d-aq4d-1d3k --------------------- DATA & FILE OVERVIEW --------------------- 1. File List A. Filename: Lithium_XRD_2019 Short description: The data collected in synchrotron for lithium6 using helium as pressure medium up to 45GPa B. Filename: 16IDB_Dec_2022 Short description: The data collected in synchrotron for lithium7 using helium as pressure medium up to 60GPa 2. Relationship between files: The files are independent and the only dependecy are between the calibration files (*.poni) and the other image files. The sequence of the collected files are indicated in the text files 3. Additional related data collected that was not included in the current data package: NA 4. Are there multiple versions of the dataset? yes/no No -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: We collected the data in synchrotron. Calibration files are saved in the related folders 2. Methods for processing the data: Data can be processed by various XRD analysis softwares. We used Dioptas to convert the data but other softwares can be used 3. Instrument- or software-specific information needed to interpret the data: https://dioptas.readthedocs.io/en/stable/calibration.html This is a user-friendly software used by most synchrotron user and developed by a beamline scientist 4. Standards and calibration information, if appropriate: Yes, The calibration files (poni files) are also included using CeO2 5. Environmental/experimental conditions: Diamond Anvil Cell, Cryogenic conditions 6. Describe any quality-assurance procedures performed on the data: The data was calibrated using standard calibration materials (Ceo2) and was tested at ambient pressure vs. known diffraction data from lithium 7. People involved with sample collection, processing, analysis and/or submission: Iren Saffarian-Deemyad, Alice Leppert, Mason Burden, Audrey Glende, Saveez Saffarian, Shanti Deemyad, William Holle, Adam Dockery, Julia St. Andre ----------------------------------------------------------------------------- DATA-SPECIFIC INFORMATION FOR: Lithium6_XRD_2019-20250212T001450Z-Deemyad.zip ----------------------------------------------------------------------------- 1. Name of zipped folder: Lithium_XRD_2019 2. Number of files/ sub-folders within the zipped folder: 2 3. File List A. Name: cryo - Copy (folder) Description: Copy of the cry-subfolder in lithium folder. Containing XRD data on 6Li collected in synchrotron at low T and up tp 45GPa Relationship to other files: N/A B. Name: Lithium (folder) Description:Contains XRD data on 6Li collected in synchrotron at low T and up to 45GPa using helium as pressure medium Relationship to other files: N/A 4. Specialized formats of other abbreviations used: N/A --------------------------------------------------------------------------------- DATA-SPECIFIC INFORMATION FOR: Lithium7_XRD_Dec_2022-20250212T001500Z-Deemyad.zip --------------------------------------------------------------------------------- 1. Name of zipped folder: 16IDB_Dec_2022 2. Number of files/ sub-folders within the zipped folder: 7 3. File List A. Name: DAC1 (folder) Description: The data collected in synchrotron for lithium7 using helium as pressure medium up to 1GPa Contains files: 2D x-ray transmission scan of the sample, XRD files at Room Temperature and 1GPa and associated text metafiles Relationship to other files: The .poni files collected on Dec 7th in the main folder should be used B. Name: DAC2 (folder) Description:The data collected in synchrotron for lithium7 using helium as pressure medium up to 60GPa Contains files: 2D x-ray transmission scan of the sample, XRD files at low Temperature and high pressure and associated text metafiles in separate folders. Relationship to other files: The .poni files collected on Dec 7th in the main folder should be used C. Name: CeO2_calib_7Dec2022.poni Description: Calibration files Relationship to other files: Need to be used for all the XRD analysis in this experimental folder D. Name: CeO2_calib_9Dec2022.poni Description: Calibration file Relationship to other files: N/A E. Name: CeO2_D295_E29_7Dec2022_001.tif Description: The image file associated with the calibration file Relationship to other files:Can be used for all the XRD analysis in this experimental folder F. Name: CeO2_D295_E29_7Dec2022_P1.txt Description: The image file associated with the calibration file Relationship to other files:Can be used together with the .poni file for all the XRD analysis in this experimental folder G. Name: GlobusTest.txt Description: This file was copied into th efolder to confirm real-time data acquisition Relationship to other files: N/A 4. Specialized formats of other abbreviations used: N/A