Ticket #8652 (closed: invalid)

Opened 7 years ago

Last modified 5 years ago

Output from ShowPossibleCells labels Hexagonal cells as Rhombohedral

Reported by: Vickie Lynch Owned by: Vickie Lynch
Priority: major Milestone: Release 3.1
Component: Framework Keywords:
Cc: petersonpf@… Blocked By:
Blocking: Tester: Peter Peterson

Description

This cell is Hexagonal not Rhombohedral: 

 LoadIsawPeaks(Filename=r'/SNS/TOPAZ/2013_1_12_SCI/shared/Sapphire_6674_6697_7097_7103/Integrate/Sapphire_Niggli.integrate',OutputWorkspace='sapphire_peaks')
 FindUBUsingIndexedPeaks(PeaksWorkspace='sapphire_peaks',Tolerance='0.12')
 ShowPossibleCells(PeaksWorkspace='sapphire_peaks',MaxScalarError='0.12',BestOnly='0')
 SelectCellOfType(PeaksWorkspace='sapphire_peaks',CellType='Rhombohedral',Centering='R',Apply='1',Tolerance='0.12')

Change History

comment:1 Changed 7 years ago by Vickie Lynch

ShowPossibleCells uses table 2 from Lattice symmetry and identification - the fundamental role of reduced cells in materials characterization. J. Res. Natl. Inst. Stand. Technol, 106, 983-995 (2011). Maybe this is my misunderstanding instead of a bug since sapphire is in the Hexagonal crystal family, but Rhombohedral and Hexagonal axes are in space group 7.

comment:2 Changed 7 years ago by Vickie Lynch

  • Status changed from new to inprogress
Last edited 7 years ago by Vickie Lynch (previous) (diff)

comment:3 Changed 7 years ago by Vickie Lynch

  • Status changed from inprogress to verify
  • Resolution set to invalid

comment:4 Changed 7 years ago by Peter Peterson

  • Status changed from verify to verifying
  • Tester set to Peter Peterson

comment:5 Changed 7 years ago by Peter Peterson

  • Status changed from verifying to closed

After chatting over this some I agree with Vickie's conclusion.

comment:6 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​9496

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