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Article #104

NaCl crystal structure on Mathematica

#104
From: Kazume Nishidate
Date: Wed, 19 Mar 1997 00:00
74 lines
2226 bytes

$B@>4[!w4dBg$G$9!#(B

$BM}A[(BNaCl$B7k>=9=B$$r(BMathematica$B$GI=<($9$k%W%m%0%i%`$G$9!#(B
$B8f6=L#$"$j$^$7$?$iM7$s$G$/$@$5$$!#(B


creating a data list$B!J86;R$r@8@.!K(B
------------------------------
In[8]:=
tes=Flatten[Table[{i,j,k},{i,0,10},{j,0,10},{k,0,10}],2]
------------------------------

Na$B$^$?$O(BCl$B86;R$r8+J,$1$^$9!#(B
identify the ion spaces (Na or Cl)
------------------------------
In[9]:=
ids={{PointSize[0.07],RGBColor[0.145, 0.139, 0.919]},
{PointSize[0.03],
RGBColor[0.966, 0.015, 0.900]}};

In[10]:=
NorC=Map[ids[[2-Mod[#,2]]]&,Table[i,{i,Length[tes]}]];
-----------------------------

$B2hA|$r@8@.$7$^$9!#(B
creating a graphics primitive
----------------------------
In[11]:=
g1=
Graphics3D[Flatten[Thread[{NorC,Map[Point,tes]}]],
FaceGrids->All];

g2=
Graphics3D[Flatten[Thread[{NorC,Map[Point,tes]}]],
FaceGrids->All,
ViewPoint->{0, -1000, 0}];

g3=
Graphics3D[Flatten[Thread[{NorC,Map[Point,tes]}]],
FaceGrids->All,
ViewPoint->{-1000, 0, 0}];

g4=
Graphics3D[Flatten[Thread[{NorC,Map[Point,tes]}]],
FaceGrids->All,
ViewPoint->{0, 0, -1000}];
-----------------------------------

$B%0%i%U%#%C%/%9%"%l%$I=<($G!"2hA|$r$^$H$a$^$9!#(B
-----------------------------------
In[15]:=
GraphicsArray[
{{g1,g2},{g3,g4}}
]
------------------------------------

$B0J2<$G2hA|$rI=<($7$^$9!#(B
------------------------------------
In[16]:=
Show[%];
------------------------------------


$B:G=*E*$JI=<($O!"<P$a$+$i8+$??^$H!"(BXY$BLL!"(BYZ$BLL!"(BZX$BLL$X$NEj1F?^$N#4<o$,=P(B
$BNO$5$l$^$9!#(B

$B$G$O!#(B

--
Kazume
"it is nature's law." jean de fontaine: fables
Kazume Nishidate / nisidate@dragon.elc.iwate-u.ac.jp
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Message-ID: <NISIDATE.97Mar19141723@dragon.dragon.elc.iwate-u.ac.jp>
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From: nisidate@dragon.dragon.elc.iwate-u.ac.jp (Kazume Nishidate)
Subject: NaCl crystal structure on Mathematica
Date: 1997/03/19
Message-ID: <NISIDATE.97Mar19141723@dragon.dragon.elc.iwate-u.ac.jp>
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