´ó¼ÒºÃ£¡
֮ǰÏëÓÃjade5¡¢jade6.5µ¼³ö±ê×¼¿¨Æ¬ÓÃÓÚorigin×÷ͼ£¬µ«¶¼³öÏÖµ¼³öµÄTXTÎļþÖÐÖ»Óо§¸ñ³£ÊýµÄÊý¾Ý¶øÎÞÆäËûÊý¾Ý£¬ÇÒ±ê×¼¿¨¿¨ºÅҲûÓС£
ÀýÈ磺£¨ÒÔTiO2ΪÀý£©
PDF#-: QM=Calculated; d=Calculated; I=(Unknown)
Anatase
TiO2
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= 2T=- I/Ic(RIR)=
Ref: Level-1 PDF
Tetragonal, I41/amd(141) Z=4 mp=
CELL: <> P.S=
Density(c)= Density(m)= Mwt= Vol=
Ref: Ibid.
Strong Lines: /X /2 /2 /2 /1 /1 /1 /1
2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2
<1 ( 1 0 1)
<1 ( 1 0 3)
<1 ( 0 0 4)
<1 ( 1 1 2)
<1 ( 2 0 0)
<1 ( 1 0 5)
<1 ( 2 1 1)
<1 ( 2 1 3)
<1 ( 2 0 4)
<1 ( 1 1 6)
<1 ( 2 2 0)
<1 ( 1 0 7)
<1 ( 2 1 5)
<1 ( 3 0 1)
<1 ( 0 0 8)
<1 ( 3 0 3)
<1 ( 2 2 4)
<1 ( 3 1 2)
ÉÏÃæÕâÊÇÎÒµ¼³öÀ´µÄ£¬¶øÎÒͨ¹ý±ðÈ˵¼³öÀ´µÄÈçÏ£º
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=25.308-83.171 I/Ic(RIR)=5.00
Ref: Calculated from ICSD using POWD-12++ (1997)
Tetragonal - (Unknown), I41/amd (141) Z=4 mp=
CELL: 3.7842 x 3.7842 x 9.5146 <90.0 x 90.0 x 90.0> P.S=tI12 (O2 Ti)
Density(c)=3.894 Density(m)=5.01A Mwt=79.90 Vol=136.25 F(18)=999.9(.0001,20/0)
Ref: Horn, M., Schwerdtfeger, C.F., Meagher, E.P.
Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem., v136 p273 (1972)
Strong Lines: 3.52/X 1.89/2 2.38/2 1.70/2 1.67/1 1.48/1 1.26/1 2.33/1 2.43/1 1.34/1
FIZ=009852: REM TEM 25 C.
M PDF 00-021-1272.
At least one TF implausible.
ITF Specimen from Binntal, Wallis, Switzerland.
See PDF 00-021-1272.
Refinement of the structure of anatase at several temperatures e a (I41/AMDS) AX2
2-Theta d(?) I(f) ( h k l) Theta 1/(2d) 2pi/d n^2
25.308 3.5163 100.0 ( 1 0 1) 12.654 0.1422 1.7869
36.950 2.4307 6.1 ( 1 0 3) 18.475 0.2057 2.5849
37.790 2.3786 18.6 ( 0 0 4) 18.895 0.2102 2.6415
38.571 2.3322 7.0 ( 1 1 2) 19.286 0.2144 2.6941
48.046 1.8921 24.2 ( 2 0 0) 24.023 0.2643 3.3207
53.884 1.7001 15.0 ( 1 0 5) 26.942 0.2941 3.6958
55.071 1.6662 14.8 ( 2 1 1) 27.536 0.3001 3.7710
62.115 1.4931 2.6 ( 2 1 3) 31.058 0.3349 4.2082
62.690 1.4808 11.0 ( 2 0 4) 31.345 0.3377 4.2432
68.754 1.3642 4.7 ( 1 1 6) 34.377 0.3665 4.6058
70.301 1.3379 5.1 ( 2 2 0) 35.151 0.3737 4.6962
74.048 1.2792 0.5 ( 1 0 7) 37.024 0.3909 4.9118
75.051 1.2646 7.7 ( 2 1 5) 37.525 0.3954 4.9686
76.049 1.2505 2.1 ( 3 0 1) 38.024 0.3999 5.0247
80.731 1.1893 0.4 ( 0 0 8) 40.365 0.4204 5.2830
82.170 1.1721 0.5 ( 3 0 3) 41.085 0.4266 5.3606
82.684 1.1661 3.8 ( 2 2 4) 41.342 0.4288 5.3882
83.171 1.1605 1.6 ( 3 1 2) 41.585 0.4308 5.4141
ÇÒµ¼³öÀ´µÄTXTÎļþµÄÎļþÃûÏà±ÈÕý³£µÄȱÉÙPDF¿¨ºÅ¡£
ÀýÈç¡°PDF#-¡±¶øÕý³£µÄÓ¦¸ÃÊÇ¡°PDF#71-1166¡±
¶øÇÒÿ´ÎÎÒËÑÎïÖʵÄʱºò£¬ËѳöÀ´µÄÎïÖÊPDF¿¨ºÅÄÇÒ»À¸²»ÏÔʾ¿¨ºÅ¡£
ÎÒÒ²³¢ÊÔ¹ýÖØ×°µ«»¹ÊÇͬÑùµÄÎÊÌ⣬ÇóÖ¸µã£¡£¡£¡
лл£¡ |