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科研小记 | XRD标准卡片 PDF#00-005-0727、PDF#00-006-0676和#00-051-0939

科研小记 | XRD标准卡片 PDF#00-005-0727、PDF#00-006-0676和#00-051-0939

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01
PDF# 00-005-0727

PDF#00-005-0727(RDB):质标=空白(B);d=德拜仪(114.6mm);I=胶片/目测

Cobalt

Co

射线=FeKa 波长=1.9373 滤波法=MnO2

校准= 2θ=41.684-98.737 I/Ic(K值)=

文献: Hofer, Peebles.

J. Am. Chem. Soc., v69 p897(1947)

六方晶系-粉末衍射,P63/mmc(194) Z=2

晶胞: 2.5031×2.5031×4.0605 <90.0×90.0x120.0> P.S=hP2.00

密度(计算)=8.883 密度(测量)= 分子量=58.93 体积=22.03 F(10)=9.8(0.102,10/0)

文献: 出处同上

强峰线: 1.91/X 1.07/8 1.25/8 1.15/8 1.05/6 2.02/6 1.08/2 2.17/2

General Comments: Mixtures normally coexist and pure cubic specimens can be retained at room temperature.

 The transition is martensitic with Ms=388 C Troiano, Tokich, Trans.

AIME, 175 728 (1948).

Structures: Cobalt has a face-centered cubic (Cu type) structure ($GB form) above 450 C and a closed-packed hexagonal structure ($GA form) stable at room temperature.

Unit Cell: Reference reports: a=2.507, c=4.07.

Unit Cell Data Source: Powder Diffraction.

   2θ   d(埃)   I(f)  ( h k l)      θ  1/(2d)   2π/d  n^2  

41.684  2.1650   20.0  ( 1 0 0)  20.842  0.2309  2.9022     

44.763  2.0230   60.0  ( 0 0 2)  22.381  0.2472  3.1059     

47.569  1.9100  100.0  ( 1 0 1)  23.784  0.2618  3.2896     

62.728  1.4800    1.0  ( 1 0 2)  31.364  0.3378  4.2454     

75.940  1.2520   80.0  ( 1 1 0)  37.970  0.3994  5.0185     

84.197  1.1490   80.0  ( 1 0 3)  42.098  0.4352  5.4684     

90.622  1.0835   20.0  ( 2 0 0)  45.311  0.4615  5.7990     

92.540  1.0660   80.0  ( 1 1 2)  46.270  0.4690  5.8942     

94.736  1.0470   60.0  ( 2 0 1)  47.368  0.4776  6.0011     

98.737  1.0150   20.0  ( 0 0 4)  49.368  0.4926  6.1903         

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附图:

02
PDF# 00-006-0676

PDF#00-006-0676(RDB)(作废相):质标=可疑(O);d=(未知);I=胶片/目测

Chromium Iron Nickel Molybdenum

Cr – Fe – Ni – Mo

射线=CoKa 波长=1.7902 滤波法=

校准= 2θ=37.884-110.801 I/Ic(K值)=

文献: Andrews.

Nature (London), v164 p1015(1949)

立方晶系-(未知) Z=

晶胞: 8.878×8.878×8.878 <90.0×90.0x90.0> P.S=c??

密度(计算)= 密度(测量)= 分子量=262.48 体积=699.75 F(21)=9.5(0.029,77/0)

文献: 出处同上

强峰线: 2.09/X 1.21/8 1.05/7 0.94/7 1.13/5 1.89/5 1.44/4 1.28/4

Deleted Or Rejected By: Delete: Weissmann September 2, 1961.

General Comments: Sigma and ”C6 M23” phases are also present.

Composition of the chi phase is close to that of sigma.

Sample Preparation: Extracted electrolytically from ”Cr”-”Mo”-”Ni” steel.

    2θ   d(埃)   I(f)  ( h k l)      θ  1/(2d)   2π/d  n^2  

 37.884  2.3730   20.0  ( 3 2 1)  18.942  0.2107  2.6478   14

 40.624  2.2190   10.0  ( 4 0 0)  20.312  0.2253  2.8315   16

 43.211  2.0920  100.0  ( 4 1 1)  21.605  0.2390  3.0034   18

 45.667  1.9850   40.0  ( 4 2 0)  22.834  0.2519  3.1653   20

 48.023  1.8930   50.0  ( 3 3 2)  24.011  0.2641  3.3192   22

 50.285  1.8130   30.0  ( 4 2 2)  25.143  0.2758  3.4656   24

 52.487  1.7420   40.0  ( 5 1 0)  26.244  0.2870  3.6069   26

 64.678  1.4400   40.0  ( 6 1 1)  32.339  0.3472  4.3633   38

 73.862  1.2820   40.0  ( 4 4 4)  36.931  0.3900  4.9011   48

 75.656  1.2560   30.0  ( 7 1 0)  37.828  0.3981  5.0025   50

 79.235  1.2080   80.0  ( 7 2 1)  39.618  0.4139  5.2013   54

 86.234  1.1270   50.0  ( 7 3 2)  43.117  0.4437  5.5751   62

 89.619  1.0930   20.0  ( 8 1 1)  44.810  0.4575  5.7486   66

 91.432  1.0760   20.0  ( 8 2 0)  45.716  0.4647  5.8394   68

 94.855  1.0460   70.0  ( 8 2 2)  47.427  0.4780  6.0069   72

 96.561  1.0320   40.0  ( 8 3 1)  48.280  0.4845  6.0884   74

100.075  1.0050   30.0  ( 7 5 2)  50.037  0.4975  6.2519   78

101.813  0.9925   10.0  ( 8 4 0)  50.906  0.5038  6.3307   80

103.570  0.9804   20.0  ( 9 1 0)  51.785  0.5100  6.4088   82

108.979  0.9463   20.0  ( 6 6 4)  54.489  0.5284  6.6397   88

110.801  0.9358   70.0  ( 9 3 0)  55.400  0.5343  6.7142   90

附图:

03
PDF# 00-051-0939

PDF#00-051-0939(RDB):质标=星印(S);d=衍射仪;I=衍射仪

Unnamed mineral, syn (NR)(Tungsten Carbide)

W C Black

射线=CuKa1 波长=1.5406 滤波法=Ni

校准=内部(Si) 2θ=31.512-117.302 I/Ic(K值)=14.9

文献: Mayo, W., H&M Analytical Services, Inc., Allentown, NJ, USA.

ICDD Grant-in-Aid(1999)

六方晶系-(未知),P-6m2(187) Z=1

晶胞: 2.90631×2.90631×2.83754 <90.0×90.0x120.0> P.S=hP2.00

密度(计算)=15.669 密度(测量)= 分子量=195.86 体积=20.76 F(14)=333.3(0.0030,14/0)

文献: Metcalfe, A.

J. Inst. Met., v73 p591(1947)

强峰线: 2.52/X 1.88/8 2.84/5 1.29/2 1.24/1 1.45/1 1.15/1 0.90/1

Additional Patterns: See PDF 01-072-0097 and 01-073-0471.

To replace 00-025-1047.

Analysis: Chemical analysis (wt.%): ”C” 6.153, ”V” 0.08, ”Ca” <0.01.

Color: Black.

Melting Point: 3098 K.

Physical property: Tc=10 K.

Sample Source or Locality: Commercial source – Cerac (T-1173).

Described as a mineral from Mengyin, Shadong and Danba, Sichuan, China.

Zianhong, Z., Guojie, Y., Zhaohni, L., Acta Mineral.

Sinica, 6 344-349 (1986).

    2θ   d(埃)   I(f)  ( h k l)      θ  1/(2d)   2π/d  n^2  

 31.512  2.8368   47.0  ( 0 0 1)  15.756  0.1763  2.2149     

 35.642  2.5170  100.0  ( 1 0 0)  17.821  0.1987  2.4963     

 48.297  1.8829   83.0  ( 1 0 1)  24.148  0.2655  3.3370     

 64.024  1.4531   13.0  ( 1 1 0)  32.012  0.3441  4.3239     

 65.757  1.4190    4.0  ( 0 0 2)  32.879  0.3524  4.4281     

 73.106  1.2934   16.0  ( 1 1 1)  36.553  0.3866  4.8579     

 75.479  1.2585    7.0  ( 2 0 0)  37.740  0.3973  4.9926     

 77.101  1.2360   13.0  ( 1 0 2)  38.550  0.4045  5.0834     

 84.070  1.1504   10.0  ( 2 0 1)  42.035  0.4346  5.4617     

 98.716  1.0152    7.0  ( 1 1 2)  49.358  0.4925  6.1894     

108.137  0.9513    5.0  ( 2 1 0)  54.069  0.5256  6.6048     

109.066  0.9458    1.0  ( 0 0 3)  54.533  0.5287  6.6433     

109.807  0.9415    5.0  ( 2 0 2)  54.904  0.5311  6.6738     

117.302  0.9020    9.0  ( 2 1 1)  58.651  0.5543  6.9661     

附图:

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