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[求助] 求助g-C3N4的XRD標(biāo)準(zhǔn)卡片

如題，求助類石墨相C3N4的XRD標(biāo)準(zhǔn)卡片

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1樓 2013-11-05 10:35:02

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wangchao3810

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★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感謝參與，應(yīng)助指數(shù) +1
jiangyun2: 金幣+2, 謝謝回帖交流，歡迎常來(lái)~~ 2013-11-07 17:19:02
低調(diào)而已: 金幣+10 2013-11-11 10:57:10

PDF#50-1512: QM=Doubtful(?); d=Other/Unknown; I=(Unknown)
Carbon Nitride
C3N4
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=
Ref= Level-1 PDF

Hexagonal,  P63/m(176) Z=2 mp=
Cell=6.43x6.43x2.46<90x90x120> Pearson=
Density(c)=3.471 Density(m)= Mwt= Vol=
Ref= Ibid.

Strong Line: 2.75/X  1.95/8  3.20/8  1.61/5  1.26/5  1.35/5  1.22/1  1.12/1

d(A)    I(f) I(v)  h  k  l  n^2  2-Theta Theta  1/(2d) 2pi/d
3.200 80.0 61.0  1  1  0       27.857  13.929  0.1563  1.9635
2.750  100.0 89.0  2  0  0       32.533  16.266  0.1818  2.2848
1.950 80.0  100.0  1  1  1       46.534  23.267  0.2564  3.2221
1.610 50.0 76.0  2  2  0       57.166  28.583  0.3106  3.9026
1.550 10.0 16.0  3  1  0       59.597  29.799  0.3226  4.0537
1.350 50.0 90.0  2  2  1       69.581  34.791  0.3704  4.6542
1.260 50.0 97.0                75.372  37.686  0.3968  4.9867
1.220 10.0 20.0  4  1  0       78.304  39.152  0.4098  5.1502
1.120 10.0 22.0  2  0  2       86.905  43.452  0.4464  5.6100
1.060 5.0 11.0  2  1  2       93.217  46.609  0.4717  5.9275

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6樓2013-11-07 16:15:17

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xhtangxh

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★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感謝參與，應(yīng)助指數(shù) +1
jiangyun2: 金幣+2, 謝謝回帖交流，歡迎常來(lái)~~ 2013-11-05 17:58:56
低調(diào)而已: 金幣+10 2013-11-11 10:56:58

Card Information
Names: beta-Carbon Nitride
Formula: C3 N4
PDF Number: 50-1250
Quality: indexed
Subfiles: inorganic alloy

Cell and Symmetry Information
System: hexagonal Space Group: P63/m (no. 176)
a: 6.4262 c: 2.4590
Z: 2

Instrument Information
Radiation:          Wavelength:
Instrument(d): diffractometer
Instrument(I): visual estimate I type: unknown

Comments and Additional Information
Unit Cell: Reference reports: a=6.43, c=2.46.
General: Cell parameters generated by least squares refinement.
Preparation: Prepared by radio frequency sputtering of C target onto Si or Ge wafer at 400-600 C under H2 atmosphere.
Analysis: Chemical analysis (at.%): C 60.0, N 30.0, O 10.0.
d-Spacings: 1 Reflection (200) overlaps forbidden peak from substrate which appears because of strain.

Literature References
General: Yu, K.-M., Cohen, M., Haller, E., Hansen, W.,Liu, A., Wu, I. Phys. Rev. B: Condens. Matter 49  5034 (1994)

PeakList
   h    k    l    d    I
   1    0    0 5.5650    50
   1    1    0 3.2130    50
   2    0    0 2.7830    100
   1    0    1 2.2590    100
   2    1    0 2.1030    50
   1    1    1 1.9530    50
   3    0    0 1.8550    50
   2    1    1 1.5980    5
   3    1    0 1.5430    5
   3    0    1 1.4810    5
   2    2    1 1.3450    5
   3    2    0 1.2770    5
   0    0    2 1.2290    5
   3    2    1 1.1330    50
   2    0    2 1.1250    5
   4    1    1 1.0890    5

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2樓2013-11-05 16:23:55

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xhtangxh

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【答案】應(yīng)助回帖

Card Information
Names: Carbon Nitride
Formula: C3 N4
PDF Number: 78-1747
Quality: calculated
Subfiles: inorganic FIZ

Cell and Symmetry Information
System: rhombohedral Space Group: R3m    (no. 160)
a: 4.74413 c: 9.19285
Density (Dx): 2.559 Z: 3

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 2.11

Comments and Additional Information
ICSD Number: 041952
TT No R value given.
TT At least one TF missing.
NT This entry was previously Zr3 Rh5, ICSD 062932
TI Stability of carbon nitride solids
WY b2 a (R3MR)
AF N3O4

Literature References
General:    Calculated from ICSD using POWD-12++          ( )
Structure: Liu, A.Y., Wentzcovitch, R.M. Phys. Rev. B: Solid State 50 10362 (1994)

Peak Data

PeakList
   h    k    l    d    I
   1    0    1 3.7510    117
   0    0    3 3.0643    999
   0    1    2 3.0643    999
   1    1    0 2.3721    15
   1    0    4 2.0048    158
   0    2    1 2.0048    158
   1    1    3 1.8755    120
   2    0    2 1.8755    120
   0    1    5 1.6782    3
   0    0    6 1.5321    79
   0    2    4 1.5321    79
   1    2    2 1.4712    3
   2    0    5 1.3700    23
   3    0    0 1.3700    23
   1    1    6 1.2867    3
   2    1    4 1.2867    3
   1    0    7 1.2509    2
   0    3    3 1.2509    2
   1    2    5 1.1860    35
   2    2    0 1.1860    35
   1    3    1 1.1308    1
   2    2    3 1.1061    54
   0    2    7 1.1061    54

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3樓2013-11-05 16:29:18

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引用回帖:

2樓: Originally posted by xhtangxh at 2013-11-05 16:23:55
Card Information
Names: beta-Carbon Nitride
Formula: C3 N4
PDF Number: 50-1250
Quality: indexed
Subfiles: inorganic alloy

Cell and Symmetry Information
System: hexagonal Space Group: P63/m ...

謝謝，不過(guò)你這個(gè)是β-C3N4，而我想要的是g-C3N4的標(biāo)準(zhǔn)卡片

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4樓2013-11-06 13:04:11

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