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常见或著名晶体结构之二

已有 6257 次阅读 2014-5-14 15:44 |系统分类:科研笔记

关注：

1)  结构决定性质

2）关注一些常见的结构，如石墨烯结构，GaAs结构F-43m型， AlB2-type P6/mmm 层状结构等

 

 

网络摘录

http://www.jcrystal.com/steffenweber/gallery/StructureTypes/st2.html

 

 

Inspired by the two websites on structure types  ( http://132.230.13.25/Vorlesung/Strukturtypen/alle.html and http://cst-www.nrl.navy.mil/lattice/index.html  ) I decided to create my own gallery of crystal structure types.

     The  GIF and JPG images below are linked to VRML2.0 files. Clicking at them will open another window, where your VRML browser plug-in can display the structure. If your VRML browser does not display VRML2 files then you might have to use an external viewer, such as the very good program GLview. If you want to download the VRML files just click at the links using the right mouse button and choose "save link/target as..". 

   elements  AB  AB2  AB3  others

2. AB  

NaCl

Strukturbericht - B1

            

Na Cl
         Halite

Fm-3m (225) [cF8]
         5.4533 5.4533 5.4533 90 90 90
         Na at 0,0,0
         Cl at 1/2,1/2,1/2

CsCl

Strukturbericht - B2

            

Cs Cl
         Caesium chloride

Pm-3m (221) [cP2]
         4.115 4.115 4.115 90 90 90
         Cs at 0,0,0
         Cl at 1/2,1/2,1/2

ZnS - sphalerite

Strukturbericht - B3

Zn S
         Sphalerite

F-43m (216) [cF8]
         5.4093 5.4093 5.4093 90 90 90
         Zn at 0,0,0
         S  at 1/4,1/4,1/4

ZnS - wurtzite

Strukturbericht - B4

Zn          S
         Wurtzite - 2H

P63mc (186) [hP4]
         3.8 3.8 6.23 90 90 120
         Zn at 1/3,2/3,0
         S  at 1/3,2/3,3/8

NiAs

Strukturbericht - B8

Ni As
         Nickel arsenide

P63/mmc (194) [hP4]
         3.61 3.61 5.028 90 90 120
         Ni at 0,0,0
         As at 1/3,2/3,1/4

alpha                  - BN

Strukturbericht - ?

BN
         Boron nitride

P-6m2 (187) [hP4]
         2.504 2.504 6.661 90 90 120
         B1 at 0,0,1/2
         B2 at 1/3,2/3,0
         N1 at 0,0,0
         N2 at 1/3,2/3,1/2

PbO (red)

Strukturbericht - B10

            

Pb O
         Lead oxide (red)

P4/nmm (129) [tP4]
         3.96 3.96 5.01 90 90 90
         Pb at 1/4,1/4,0.237
         O  at 3/4,1/4,0

PtS

Strukturbericht - B17

Pt          S
         Platinum sulfide

P42/mmc (131) [tP4]
         3.47 3.47 6.1 90 90 90
         Pt at 0,1/2,0
         S  at 0,0,1/4

 

3D          view                                                                                 projection          along [001]        formula
         name
         space group, number, Pearson symbol
         unit cell dimensions
         atom positions for asymmetric unit

    elements  AB  AB2  AB3  others

 



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