Metals and Alloys Subcommittee Agenda and Minutes
Metals and Alloys Subcommittee
March 21, 2007
Subject: Metals & Alloys (M&A) Subcommittee Minutes for March 21, 2007
The meeting was called to order at 11 a.m. The agenda follows on page 4, and the attendance list is filed at ICDD Headquarters. Jeff Dann took meeting notes, and Pete Wallace took the minutes. The M&A subcommittee minutes of March 2006 were approved as written.
Board of Directors Liaison Report ( Cam Hubbard)
No report was needed, since there were no motions submitted at the last meeting.
M&A Web Page (Camille Jones)
Camille reported that we now have additional information on the web page, namely the notes from the M&A Working Group. She also demonstrated the web page in its current form, and noted that since the web page is still under development, access is limited. The web page has seven sections, and content is being slowly added. (The secretary notes that Camille had an excellent poster on the web page at the evening poster session. Many thanks.)
Calculated Powder Pattern Round Robin (Jeff Dann)
Introduction: This project will use Larry Calvert's test data to test the various powder pattern calculation programs in use throughout the world. The test data for this round robin contains 80 data sets and involves calculations in 60 space groups.
Status: Currently, Jeff is working on correcting problems in the test data set and on identifying calculated patterns from PDF 4+ that may be used as a part of the answer set. (POWD 12 ++ is used for most of the calculated patterns in the PDF.) In addition, Jeff has decided that the answer set will include both integrated and peak intensities. Anyone interested in participating in this round robin should contact Jeff at email@example.com .
(The secretary notes that Jeff, too, had an excellent poster on the web page at the evening poster session. Many thanks.)
M&A Virtual Blue Book (VBB) (Howard Jones and Mike Bennett)
This project is on hold for now.
The Pearson Symbol Code Index ( PSCI-III) Editorial Review (Pete Wallace)
- This review uses Pearson symbol code index tables created in 2005 after a very large increase in the population of the M&A subfile occurred. The M&A subfile has more than 90,000 entries now.
- This review is the first M&A review where volunteers are working directly on electronic files and submitting their recommendations in electronic form first to the M&A subcommittee chairman for a quality check and then to ICDD Headquarters for approval and implementation.
- The ICDD is adding about 7,000 to 10,000 entries to the M&A subfile each year. So, we have our work cut out for us. Fortunately, we believe that the work we have done (and will do) establishes a basis for automatically assigning prototype structures based on established prototype structure profiles . ICDD Headquarters is working on this possibility now. A caveat: Computer-assigned prototype structures still will need a review until we have confidence that the assignment is done correctly.
LPF prototype structures have been adopted as standards for this review. Hence the PSCI review tables include both the ICDD and LPF prototype structures in a format that has been used by M&A volunteers for many years. Volunteers are working on the anorthic, orthorhombic, and tetragonal sections. We have completed the work on the monoclinic section and submitted it to ICDD Headquarters for review and input to the master database. A summary of the status is in Attachment 2, on page 5.
Review of Current M&A Patterns (Pete Wallace)
This review involves from 100 to 200 experimental patterns a year. Most of these patterns are from grant-in-aid recipients. We are current in these reviews.
1. Presentation of Prototype Structures in ICDD Products
Jeff Dann proposed the following motion regarding the presentation of prototype structures in ICDD products.
The Metals and Alloys Subcommittee recommends to the Technical Committee that the field, “Prototype Structure”, be displayed with the elements arranged in alphabetical order.
Pete Wallace seconded the motion, and the motion was passed 7-0-2.
2. M&A Subfile Subsections
Jeff Dann led a brief discussion on the possibility of identifying subsections of the M&A subfile. Such subsections might be of use in making editing the subfile easier. Possible subsections could be (a) pure metals, (b) intermetallic compounds, (c) alloys, (d) binary oxides, and (e) the balance of the subfile. No action was taken at this time.
3. Fall 2007 Meeting of the M&A Working Group
The next meeting of this group will be in late October or Early November.
The meeting was adjourned at about 11:30 am .
Attachment 1: The M&A Agenda for March 21, 2007
- Call to Order
- Appointment of Secretary
- Approval of Minutes
- Board of Directors Liaison Report ( Cam Hubbard)
- M&A Web Page (Camille Jones)
- Calculated Powder Pattern Round Robin (Jeff Dann)
- M&A Virtual Blue Book (VBB) (Pete Wallace and Mike Bennett)
- The Pearson Symbol Code Index (PSCI-III) Editorial Review (Pete Wallace)
a. Adoption of Linus Pauling File (LFP) Prototype Structures
b. Assigning (LPF) prototype structures to M&A subfile entries
- Review of Current M&A Patterns (Pete Wallace)
- New/Old Business