This NiPyz(SbF6) Pressure and Fieldreadme.txt file was generated on [20191007] by [Ken O'Neal]


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GENERAL INFORMATION
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1. Title of Dataset 
NiPyz(SbF6) Pressure and Field

2. Author Information


  Principal Investigator Contact Information
        Name: J. L. Musfeldt
           Institution: University of Tennessee
           Address: 1416 Circle Drive
		    Knoxville, TN 37996-1600
           Email: musfeldt@utk.edu


  Associate or Co-investigator Contact Information
        Name:
           Institution:
           Address:
           Email:


  Alternate Contact Information
           Name:
           Institution:
           Address:
           Email:


3. Date of data collection (single date, range, approximate date) <suggested format YYYYMMDD>
2011-2016

4. Geographic location of data collection (where was data collected?): 
University of Tennessee, Knoxville TN
National High Magnetic Field Laboratory, Tallahassee FL
Brookhaven National Laboraoty, Upton NY

5. Information about funding sources that supported the collection of the data:
This work was supported by the National Science Foundation [DMR-1063880 (JLM, UT) and DMR-1306158 (JLM, EWU)] and the Petroleum Research Fund [52052-ND10 (JLM, UT)]. The National High Magnetic Field Laboratory is supported by the National Science Foundation through NSFDMR-0084173 and the State of Florida. The National Synchrotron Light Source at Brookhaven National Laboratory is funded by the US Department of Energy under Contracts DE-AC98-06CH10886 and DE-FG02-96ER45579. The use of U2A beamline is funded
by COMPRES under NSF Cooperative Agreement EAR 1606856 and CDAC (DE-NA-0002006).



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SHARING/ACCESS INFORMATION
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1. Licenses/restrictions placed on the data:
None

2. Links to publications that cite or use the data:
https://pubs.acs.org/doi/10.1021/acs.inorgchem.6b01679

3. Links to other publicly accessible locations of the data:
N/A

4. Links/relationships to ancillary data sets:
N/A

5. Was data derived from another source? No
           If yes, list source(s):


6. Recommended citation for the data:
Spin-lattice coupling in [Ni(HF2)(pyrazine)2]SbF6 involving the HF−2 superexchange pathway, K. R. O’Neal, B. S. Holinsworth, Z. Chen, P. K. Peterson, K. E. Carreiro, J. L. Manson, M.-H. Whangbo, Z. Li, Z. Liu, and J. L. Musfeldt. Inorg. Chem. 55, 12172 (2016).



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DATA & FILE OVERVIEW
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1. File List
   A. Filename:       NiPyz(SbF6) Pressure and Field.opj 
      Short description:        Infrared and Raman spectra at various temperatures, pressures, and magnetic fields.


        
   B. Filename:        
      Short description:        


        
   C. Filename:        
      Short description:


2. Relationship between files:        
N/A



3. Additional related data collected that was not included in the current data package:
N/A



4. Are there multiple versions of the dataset? No
   If yes, list versions:
           Name of file that was updated:
                     i. Why was the file updated? 
                ii. When was the file updated?
           Name of file that was updated:
                      i. Why was the file updated?
                    ii. When was the file updated?






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METHODOLOGICAL INFORMATION
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1. Description of methods used for collection/generation of data: 
<Include links or references to publications or other documentation containing experimental design or protocols used in data collection>
See Methods section of linked publication.

2. Methods for processing the data: <describe how the submitted data were generated from the raw or collected data>
Calculated absorption, standard peak fitting, integrations.

3. Instrument- or software-specific information needed to interpret the data: Origin.


4. Standards and calibration information, if appropriate: N/A


5. Environmental/experimental conditions: Samples mixed with KBr matrix placed inside cryostat, magnet, or diamond anvil cell.


6. Describe any quality-assurance procedures performed on the data: N/A


7. People involved with sample collection, processing, analysis and/or submission:
K. R. O'Neal
B. S. Holinsworth
Z. Chen





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DATA-SPECIFIC INFORMATION FOR: [FILENAME]
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<create sections for each dataset (or file if appropriate) included>


1. Number of variables:


2. Number of cases/rows: 


3. Variable List
    A. Name: [variable name]
       Description: [description of the variable]
                    Value labels if appropriate



    B. Name: [variable name]
       Description: [description of the variable]
                    Value labels if appropriate



4. Missing data codes:
        Code/symbol        Definition
        Code/symbol        Definition


5. Specialized formats of other abbreviations used