Thread View: sci.chem
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Started by Uncle Al
Sat, 18 Aug 2001 17:10
CRYSTMET, ICSD?
Author: Uncle Al
Date: Sat, 18 Aug 2001 17:10
Date: Sat, 18 Aug 2001 17:10
39 lines
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2713 bytes
Uncle Al needs a little help from x-ray crystallography adepts. Uncle Al has a fetish for small unit cell heavy atom chiral crystal structures. If anybody has a copy of CRYSTMET or ICSD access pining for the fjords because nobody has exercised it lately, behold a bit of scholarly recreation: http://www.mazepath.com/uncleal/eotvos.htm Table V All I wish is candidate compounds; their space groups, lattice constants and Z occupancy; and literature citations. The number of candidates is severely circumscribed by tight requirements: 1. Inorganics and intermetallics only (*No* organics or organometallics) 2. Unit cell volume less than 250 cubic angstroms. Smaller is better. 3. *Must* contain one or more atoms of Ta, W, Pt, Au, Tl, Pb, or Bi 4. *Only* space groups P3(1), P3(2), P4(1), P4(3), P6(2), P6(4), P6(1), P6(5) 5. If no hits, then space groups P2, P2(1), C2, I4, I4(1), P(4), P4(2), P3, R3, P6, P6(3) 6. *No* ferroelectric crystals (polarity twinning and domains) 7. *No* P2(1)3; no SnAu(5) or BiTeI (wrong assignment of space group). I already have BiB(3)O(6), AuBe, Al(5)W, CoU, AlAu(4). (Going through "Constitution of Binary Alloys" is tough slogging.) Refractory (mp over 1200 C) borides, carbides, and silicides are low priority. Post 'em if you've got 'em. Thank you! -- Uncle Al http://www.mazepath.com/uncleal/ (Toxic URL! Unsafe for children and most mammals) "Quis custodiet ipsos custodes?" The Net!
Re: CRYSTMET, ICSD?
Author: Cristal
Date: Sun, 19 Aug 2001 18:16
Date: Sun, 19 Aug 2001 18:16
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> All I wish is candidate compounds; their space groups, lattice
> constants and Z occupancy; and literature citations. The number
> of candidates is severely circumscribed by tight requirements:
There are 16 compounds which fulfill your needs in ICSD.
But I can't find any way to send you the result...:
----- The following addresses had permanent fatal errors -----
<UncleAl0@hate.spam.net>
(reason: 550 Host unknown)
ALB
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