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[求助] 求助,誰(shuí)有JCPDS 89-4921(銳鈦型二氧化鈦)和JCPDS 21-1276(金紅石型二氧化鈦)的PDF卡片

RT，有的話麻煩發(fā)到郵箱gszjx@seu.edu.cn，謝謝蟲(chóng)子們

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1樓 2011-06-22 17:05:52

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★ ★ ★
nxl5096224(金幣+3): 3Q 2011-07-07 16:04:24

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Originally posted by zhao_seu at 2011-06-22 17:05:52:
RT，有的話麻煩發(fā)到郵箱gszjx@seu.edu.cn，謝謝蟲(chóng)子們

Card Information
Names: Titanium Oxide
Anatase, syn
Formula: Ti O2
PDF Number: 89-4921
Quality: calculated
Subfiles: inorganic mineral alloy COR FIZ PHR

Cell and Symmetry Information
System: tetragonal Space Group: I41/amd  (no. 141)
a: 3.777 c: 9.501
Density (Dx): 3.915 Z: 4

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 5.04

Comments and Additional Information
ICSD Number: 076173
RM REM    M PDF 21-1272.
TT No R value given.
TT At least one TF missing.
TI Sur les parametres cristallins du rutile et de l'anatase
WY e a (I41/AMDS)
AF AX2

Literature References
General:    Calculated from ICSD using POWD-12++          ( )
Structure: Legrand, C., Delville, J. C. R. Hebd. Seances Acad. Sci.  236 944 (1953)

Peak Data

PeakList
   h    k    l    d    I
   1    0    1 3.5098    999
   1    0    3 2.4268    49
   0    0    4 2.3753    159
   1    1    2 2.3280    69
   2    0    0 1.8885    221
   1    0    5 1.6975    138
   2    1    1 1.6631    135
   2    1    3 1.4904    19
   2    0    4 1.4782    88
   1    1    6 1.3621    47
   2    2    0 1.3354    44
   1    0    7 1.2773    4
   2    1    5 1.2624    66
   3    0    1 1.2481    18
   0    0    8 1.1876    2
   3    0    3 1.1699    4
   2    2    4 1.1640    28
   3    1    2 1.1583    12

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2樓2011-06-23 12:27:26

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zhao_seu(金幣+1): 非常感謝，這是想要的內(nèi)容 2011-06-23 15:08:04

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Originally posted by zhao_seu at 2011-06-22 17:05:52:
RT，有的話麻煩發(fā)到郵箱gszjx@seu.edu.cn，謝謝蟲(chóng)子們

Card Information
Names: Titanium Oxide
Rutile, syn
titania
Formula: Ti O2
PDF Number: 21-1276
Quality: star
Subfiles: inorganic mineral alloy COR CP  EDU FOR NBS

Cell and Symmetry Information
System: tetragonal Space Group: P42/mnm  (no. 136)
a: 4.5933 c: 2.9592
Density (Dm): 4.230 Density (Dx): 4.250 Z: 2

Instrument Information
Radiation: CuKa1 Wavelength: 1.54056
Instrument(d): unknown Standard: W
Instrument(I): diffractometer I type: unknown
I/Icor: 3.40

Comments and Additional Information
General: No impurity over 0.001%.
VH VHN#1#0#0=1132-1187.
Source: Sample obtained from National Lead Co., South Amboy, New Jersey, USA.
General: Pattern reviewed by Syvinski, W., McCarthy, G., North Dakota State Univ, Fargo, North Dakota, USA,  ICDD Grant-in-Aid  (1990). Agrees well with experimental and calculated patterns.
General: Two other polymorphs, anatase (tetragonal) and brookite (orthorhombic), converted to rutile on heating above 700 C.
General: Additional weak reflections [indicated by brackets] were observed.
Optical: A=2.9467, B=2.6505, Sign=+
Pattern: Validated by calculated pattern.
General: Optical data on specimen from  Dana's System of Mineralogy, 7th Ed.,  I  555.
General: Naturally occurring material may be reddish brown.
Colour: White
RL Opaque mineral optical data on specimen from Sweden: R#3R%=20.3, Disp.=Std.
Temperature: Pattern taken at 25 C.

Literature References
General:    Natl. Bur. Stand. (U.S.) Monogr. 25 7 83 (1969)
Optical:    Dana's System of Mineralogy, 7th Ed. I 575 ( )
RL    IMA Commission on Ore Microscopy QDF          ( )

Peak Data

PeakList
   h    k    l    d    I
   1    1    0 3.2470    100
   1    0    1 2.4870    50
   2    0    0 2.2970    8
   1    1    1 2.1880    25
   2    1    0 2.0540    10
   2    1    1 1.6874    60
   2    2    0 1.6237    20
   0    0    2 1.4797    10
   3    1    0 1.4528    10
   2    2    1 1.4243    2
   3    0    1 1.3598    20
   1    1    2 1.3465    12
   3    1    1 1.3041    2
   3    2    0 1.2739    1
   2    0    2 1.2441    4
   2    1    2 1.2006    2
   3    2    1 1.1702    6
   4    0    0 1.1483    4
   4    1    0 1.1143    2
   2    2    2 1.0936    8
   3    3    0 1.0827    4
   4    1    1 1.0425    6
   3    1    2 1.0364    6
   4    2    0 1.0271    4
   3    3    1 1.0167    1
   4    2    1 0.9703    2
   1    0    3 0.9644    2
   1    1    3 0.9438    2
   4    0    2 0.9072    4
   5    1    0 0.9009    4
   2    1    3 0.8892    8
   4    3    1 0.8774    8
   3    3    2 0.8738    8
   4    2    2 0.8437    6
   3    0    3 0.8292    8
   5    2    1 0.8196    12
   4    4    0 0.8120    2
   5    3    0 0.7877    2

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3樓2011-06-23 12:28:47

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★ ★ ★
nxl5096224(金幣+3): 3Q 2011-07-07 16:04:36

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Originally posted by zhao_seu at 2011-06-22 17:05:52:
RT，有的話麻煩發(fā)到郵箱gszjx@seu.edu.cn，謝謝蟲(chóng)子們

含圖。非JCPDS卡片。

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4樓2011-06-23 12:38:29

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謝謝～

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5樓2011-06-23 15:06:34

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-菊與刀-

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3樓: Originally posted by xhtangxh at 2011-06-23 12:28:47
Card Information
Names: Titanium Oxide
Rutile, syn
titania
Formula: Ti O2
PDF Number: 21-1276
Quality: star
Subfiles: inorganic mineral alloy COR CP EDU FOR NBS

Cell and Symmetry Inform ...

請(qǐng)問(wèn)下，有相應(yīng)的2θ角的數(shù)據(jù)嗎，有2θ角就可以自己作圖了啊。

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7樓2013-07-06 09:02:23

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以后自己算，用2dsinθ=λ。

JCPDS 89-4921：
h k l 2theta d I
1 0 1 25.355 3.5098 999
1 0 3 37.012 2.4268 49
0 0 4 37.845 2.3753 159
1 1 2 38.644 2.3280 69
2 0 0 48.143 1.8885 221
1 0 5 53.972 1.6975 138
2 1 1 55.182 1.6631 135
2 1 3 62.239 1.4904 19
2 0 4 62.811 1.4782 88
1 1 6 68.875 1.3621 47
2 2 0 70.454 1.3354 44
1 0 7 74.178 1.2773 4
2 1 5 75.204 1.2624 66
3 0 1 76.218 1.2481 18
0 0 8 80.873 1.1876 2
3 0 3 82.358 1.1699 4
2 2 4 82.867 1.1640 28
3 1 2 83.366 1.1583 12

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JCPDS 21-1276：

h k l 2theta d I
1 1 0 27.446 3.2470 100
1 0 1 36.085 2.4870 50
2 0 0 39.187 2.2970 8
1 1 1 41.225 2.1880 25
2 1 0 44.050 2.0540 10
2 1 1 54.322 1.6874 60
2 2 0 56.640 1.6237 20
0 0 2 62.740 1.4797 10
3 1 0 64.038 1.4528 10
2 2 1 65.478 1.4243 2
3 0 1 69.008 1.3598 20
1 1 2 69.788 1.3465 12
3 1 1 72.408 1.3041 2
3 2 0 74.409 1.2739 1
2 0 2 76.508 1.2441 4
2 1 2 79.819 1.2006 2
3 2 1 82.333 1.1702 6
4 0 0 84.258 1.1483 4
4 1 0 87.461 1.1143 2
2 2 2 89.555 1.0936 8
3 3 0 90.705 1.0827 4
4 1 1 95.272 1.0425 6
3 1 2 96.014 1.0364 6
4 2 0 97.173 1.0271 4
3 3 1 98.511 1.0167 1
4 2 1 105.095 0.9703 2
1 0 3 106.015 0.9644 2
1 1 3 109.402 0.9438 2
4 0 2 116.222 0.9072 4
5 1 0 117.522 0.9009 4
2 1 3 120.054 0.8892 8
4 3 1 122.783 0.8774 8
3 3 2 123.655 0.8738 8
4 2 2 131.841 0.8437 6
3 0 3 136.541 0.8292 8
5 2 1 140.044 0.8196 12
4 4 0 143.107 0.8120 2
5 3 0 155.856 0.7877 2

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[求助] 求助,誰(shuí)有JCPDS 89-4921(銳鈦型二氧化鈦)和JCPDS 21-1276(金紅石型二氧化鈦)的PDF卡片

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