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科研小记 | XRD标准卡片PDF#00-016-0613、PDF#00-037-1484和#00-006-0416

科研小记 | XRD标准卡片PDF#00-016-0613、PDF#00-037-1484和#00-006-0416
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PDF#00-016-0613

PDF#00-016-0613(RDB):质标=定胞(I);d=Guinier;I=光密度议

Vermiculite-2M

Mgx ( Mg , Fe )3 ( Si , Al )4 O10 ( O H )2 ·4 H2 O Brown, green

射线=CuKa 波长=1.5418 滤波法=

校准= 2θ=6.219-61.707 I/Ic(K值)=

文献: Mukherjee.

Clay Miner. Bull., v5 p194(1963)

单斜晶系-粉末衍射,C2/c(15) Z=4

晶胞: 5.24x9.17x28.6 <90.0x94.6x90.0> P.S=mC136.00

密度(计算)=2.260 密度(测量)=2.28 分子量=475.63 体积=1369.83 F(30)=2.7(0.054,203/0)

文献: Shirozu, H., Bailey, S.

Am. Mineral., v51 p1124(1966)

强峰线: 14.20/X 1.53/7 4.57/6 2.57/5 2.62/5 2.53/5 2.37/4 2.38/4

Additional Patterns: To replace 00-010-0418 and validated by calculated pattern 00-034-0166.

See PDF 01-077-0022 and 01-076-0847.

Analysis: Analysis (wt.%): ''Si O2'' 34.92, ''Al2 O3'' 13.97, ''Fe2 O3'' 6.25, FeO 0.52, MgO 20.37, CaO 2.15, ''Na2 O'' 0.32, ''H2 O'' 21.00.

Color: Brown, green.

Sample Source or Locality: Specimen from Ajmer-Marwar, India (Indian Museum 8247).

Unit Cell Data Source: Powder Diffraction.

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

 6.219  14.2000  100.0  ( 0 0 2)    3.110  0.0352  0.4425     

12.387   7.1400   15.0  ( 0 0 4)    6.193  0.0700  0.8800     

18.626   4.7600   10.0  ( 0 0 6)    9.313  0.1050  1.3200     

19.408   4.5700   60.0  ( 0 2 0)    9.704  0.1094  1.3749     

20.119   4.4100   10.0  (-1 1 2)   10.059  0.1134  1.4248     

20.399   4.3500   10.0  ( 0 2 2)   10.200  0.1149  1.4444     

20.885   4.2500   10.0  ( 1 1 2)   10.442  0.1176  1.4784     

24.992   3.5600   25.0  ( 0 0 8)   12.496  0.1404  1.7649     

31.362   2.8500   30.0  (0,0,10)   15.681  0.1754  2.2046     

34.263   2.6150   50.0  (-1 3 2)   17.132  0.1912  2.4027     

34.882   2.5700   50.0  (-1 3 3)   17.441  0.1946  2.4448     

35.524   2.5250   45.0  (-2 0 4)   17.762  0.1980  2.4884     

36.962   2.4300    5.0  (-1 3 5)   18.481  0.2058  2.5857     

37.768   2.3800   35.0  (0,0,12)   18.884  0.2101  2.6400     

38.017   2.3650   35.0  (-2 0 6)   19.008  0.2114  2.6567     

39.764   2.2650    5.0  (-2 2 2)   19.882  0.2208  2.7740     

40.991   2.2000    5.0  (-2 2 4)   20.496  0.2273  2.8560     

41.584   2.1700    5.0  (-1,1,12)  20.792  0.2304  2.8955     

43.472   2.0800    5.0  ( 1 3 8)   21.736  0.2404  3.0208     

44.370   2.0400   10.0  (0,0,14)   22.185  0.2451  3.0800     

45.068   2.0100   10.0  (-2,0,10)  22.534  0.2488  3.1260     

45.912   1.9750    5.0  (-1,3,10)  22.956  0.2532  3.1814     

50.079   1.8200    5.0  (1,3,11)   25.039  0.2747  3.4523     

50.977   1.7900    5.0  ( 2 2 9)   25.489  0.2793  3.5102     

53.045   1.7250   10.0  (-2 4 1)   26.522  0.2899  3.6424     

53.379   1.7150   10.0  (-3 1 1)   26.689  0.2915  3.6637     

54.059   1.6950    5.0  (-2 4 4)   27.030  0.2950  3.7069     

55.115   1.6650   15.0  (-1 5 5)   27.558  0.3003  3.7737     

59.897   1.5430   10.0  ( 1 5 8)   29.948  0.3240  4.0721     

60.546   1.5280   70.0  ( 0 6 0)   30.273  0.3272  4.1120     

61.165   1.5140   25.0  (1,3,15)   30.583  0.3303  4.1501     

61.707   1.5020   15.0  ( 1 5 9)   30.854  0.3329  4.1832     

附图:

PDF#00-037-1484

PDF#00-037-1484(RDB):质标=星印(S);d=衍射仪;I=衍射仪

Baddeleyite, syn(Zirconium Oxide)

Zr O2 Colorless

射线=CuKa1 波长=1.5405982 滤波法=Graph

校准=内部(Ag FP) 2θ=17.419-78.866 I/Ic(K值)=2.6

文献: McMurdie, H., Morris, M., Evans, E., Paretzkin, B., Wong-Ng, W., Hubbard, C.

Powder Diffraction, v1 p275(1986)

单斜晶系-粉末衍射,P21/a(14) Z=4

晶胞: 5.3129x5.2125x5.1471 <90.0x99.218x90.0> P.S=mP12.00

密度(计算)=5.817 密度(测量)= 分子量=123.22 体积=140.70 F(30)=111.1(0.0073,37/0)

文献: (1) McCullough, J., Trueblood, K.

Acta Crystallogr., v12 p507(1959)

强峰线: 3.16/X 2.84/7 1.82/2 2.62/2 1.85/2 3.70/1 2.54/1 1.80/1

Additional Patterns: To replace 00-013-0307 and 00-036-0420 and validated by calculated pattern 00-024-1165.

See PDF 01-072-1669, 01-072-0597, 01-074-0815 and 01-078-0050.

Analysis: Spectrographic analysis showed that this sample contained less than 0.01% each of Al, Hf and Mg and between 0.1 and 0.01% each of Fe, Si and Ti.

Color: Colorless.

General Comments: Pattern reviewed by Holzer, J., McCarthy, G., North Dakota State Univ., Fargo, North Dakota, USA, ICDD Grant-in-Aid (1990).

Agrees well with experimental and calculated patterns.

 Additional weak reflections (indicated by brackets) were observed.

Polymorphism/Phase Transition: There are a number of polymorphic forms of ''Zr O2'' stable at different temperatures and pressures.

Sample Source or Locality: Sample was obtained from Titanium Alloy Manufacturing Co.

(1990) and was heated to 1300° for 48 hours.

Structures: The structure of ''Zr O2'' (baddeleyite) was determined by McCullough and Trueblood (1) and confirmed by Smith and Newkirk (2).

Temperature of Data Collection: The mean temperature of the data collection was 298.5 K.

Unit Cell Data Source: Powder Diffraction.

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

17.419  5.0870    3.0  ( 0 0 1)   8.709  0.0983  1.2351     

24.048  3.6977   14.0  ( 1 1 0)  12.024  0.1352  1.6992     

24.441  3.6391   10.0  ( 0 1 1)  12.220  0.1374  1.7266     

28.175  3.1647  100.0  (-1 1 1)  14.087  0.1580  1.9854     

31.468  2.8406   68.0  ( 1 1 1)  15.734  0.1760  2.2119     

34.160  2.6227   21.0  ( 2 0 0)  17.080  0.1906  2.3957     

34.383  2.6062   11.0  ( 0 2 0)  17.191  0.1919  2.4109     

35.309  2.5399   13.0  ( 0 0 2)  17.654  0.1969  2.4738     

35.900  2.4995    2.0  (-2 0 1)  17.950  0.2000  2.5138     

38.396  2.3425    1.0  (-2 1 0)  19.198  0.2134  2.6823     

38.541  2.3340    4.0  ( 1 2 0)  19.270  0.2142  2.6920     

39.411  2.2845     <1  ( 0 1 2)  19.705  0.2189  2.7504     

39.990  2.2527     <1  (-2 1 1)  19.995  0.2220  2.7891     

40.725  2.2138   12.0  (-1 1 2)  20.362  0.2259  2.8382     

41.150  2.1919    5.0  ( 2 0 1)  20.575  0.2281  2.8666     

41.374  2.1805    5.0  (-1 2 1)  20.687  0.2293  2.8815     

44.826  2.0203    7.0  ( 2 1 1)  22.413  0.2475  3.1100     

45.522  1.9910    6.0  (-2 0 2)  22.761  0.2511  3.1558     

48.949  1.8593    2.0  (-2 1 2)  24.474  0.2689  3.3793     

49.266  1.8481   18.0  ( 2 2 0)  24.633  0.2705  3.3998     

50.116  1.8187   22.0  ( 0 2 2)  25.058  0.2749  3.4547     

50.559  1.8038   13.0  (-2 2 1)  25.279  0.2772  3.4832     

51.193  1.7830    5.0  (-1 2 2)  25.596  0.2804  3.5240     

54.104  1.6937   11.0  ( 0 0 3)  27.052  0.2952  3.7097     

54.680  1.6772     <1  ( 2 2 1)  27.340  0.2981  3.7462     

55.270  1.6607   11.0  ( 1 2 2)  27.635  0.3011  3.7835     

55.400  1.6571   11.0  ( 3 1 0)  27.700  0.3017  3.7916     

55.570  1.6525    9.0  (-3 1 1)  27.785  0.3026  3.8023     

55.883  1.6439    6.0  ( 0 3 1)  27.941  0.3041  3.8220     

57.168  1.6100    7.0  (-1 1 3)  28.584  0.3106  3.9026     

57.861  1.5924    4.0  (-1 3 1)  28.930  0.3140  3.9459     

58.268  1.5822    3.0  (-2 2 2)  29.134  0.3160  3.9712     

59.775  1.5459    8.0  ( 1 3 1)  29.887  0.3234  4.0645     

60.055  1.5393    7.0  (-2 0 3)  30.027  0.3248  4.0818     

61.366  1.5095    5.0  ( 3 1 1)  30.683  0.3312  4.1624     

61.984  1.4960    5.0  (-3 1 2)  30.992  0.3342  4.2001     

62.838  1.4777    8.0  ( 1 1 3)  31.419  0.3384  4.2521     

64.079  1.4520    1.0  ( 3 2 0)  32.039  0.3444  4.3272     

64.250  1.4486    2.0  ( 2 3 0)  32.125  0.3452  4.3375     

64.965  1.4343     <1  ( 0 3 2)  32.483  0.3486  4.3806     

65.383  1.4262    2.0  (-2 3 1)  32.692  0.3506  4.4057     

65.700  1.4201    6.0  ( 0 2 3)  32.850  0.3521  4.4246     

65.884  1.4165    4.0  (-1 3 2)  32.942  0.3530  4.4356     

68.911  1.3615    1.0  ( 2 3 1)  34.456  0.3672  4.6149     

69.620  1.3494     <1  ( 3 2 1)  34.810  0.3705  4.6564     

70.190  1.3398     <1  (-3 2 2)  35.095  0.3732  4.6896     

71.071  1.3253    2.0  (-2 2 3)  35.535  0.3773  4.7408     

71.299  1.3217    4.0  (-4 0 1)  35.650  0.3783  4.7540     

71.949  1.3113    1.0  ( 4 0 0)  35.975  0.3813  4.7916     

72.103  1.3089    1.0  (-2 3 2)  36.052  0.3820  4.8004     

72.449  1.3035     <1  ( 0 4 0)  36.225  0.3836  4.8203     

72.642  1.3005     <1  ( 3 1 2)  36.321  0.3845  4.8314     

73.580  1.2862     <1  (-3 1 3)  36.790  0.3887  4.8850     

74.682  1.2700    2.0  ( 0 0 4)  37.341  0.3937  4.9476     

75.046  1.2647    4.0  ( 1 4 0)  37.523  0.3954  4.9682     

76.409  1.2455    1.0  (-1 1 4)  38.205  0.4015  5.0448     

77.391  1.2321     <1  ( 3 3 0)  38.696  0.4058  5.0995     

78.078  1.2230     <1  ( 4 0 1)  39.039  0.4088  5.1376     

78.866  1.2127    1.0  ( 0 3 3)  39.433  0.4123  5.1810     

附图:

PDF#00-006-0416

PDF#00-006-0416(RDB):质标=星印(S);d=(未知);I=衍射仪

Indium Oxide

In2 O3 Light yellow

射线=CuKa1 波长=1.5405 滤波法=Ni

校准= 2θ=17.513-96.474 I/Ic(K值)=9.3

文献: Swanson et al.

Natl. Bur. Stand. (U.S.), Circ. 539, v5 p26(1955)

立方晶系-粉末衍射,Ia-3(206) Z=16

晶胞: 10.118x10.118x10.118 <90.0x90.0x90.0> P.S=cI80.00

密度(计算)=7.121 密度(测量)= 分子量=277.64 体积=1035.82 F(30)=90.4(0.0107,31/0)

文献: 出处同上

强峰线: 2.92/X 1.79/4 2.53/3 1.53/3 4.13/1 1.98/1 2.39/1 1.64/1

Additional Patterns: Validated by calculated pattern 00-044-1087.

Analysis: Spectrographic analysis: <0.1% Na, Ca; <0.001% Ag, Mg, Fe, Li, Sn, Cd, Si; <0.0001% Cu, Mn.

Color: Light yellow.

General Comments: Pattern reviewed by Holzer, J., McCarthy, G., North Dakota State University, Fargo, North Dakota, USA, JCPDS Grant-in-Aid Report (1990).

 Agrees well with experimental and calculated patterns.

 Additional weak reflections (indicated by brackets) were observed.

Additional Diffraction Lines: Plus 9 reflections to 0.9477.

Sample Source or Locality: Sample from Johnson Matthey Company, Ltd.

Temperature of Data Collection: Pattern taken at 299 K.

Unit Cell Data Source: Powder Diffraction.

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

17.513  5.0600    1.0  ( 2 0 0)   8.756  0.0988  1.2417    4

21.499  4.1300   14.0  ( 2 1 1)  10.749  0.1211  1.5214    6

30.581  2.9210  100.0  ( 2 2 2)  15.290  0.1712  2.1510   12

33.102  2.7040    2.0  ( 3 2 1)  16.551  0.1849  2.3237   14

35.466  2.5290   30.0  ( 4 0 0)  17.733  0.1977  2.4845   16

37.686  2.3850    8.0  ( 4 1 1)  18.843  0.2096  2.6345   18

39.819  2.2620    2.0  ( 4 2 0)  19.910  0.2210  2.7777   20

41.846  2.1570    6.0  ( 3 3 2)  20.923  0.2318  2.9129   22

43.782  2.0660    2.0  ( 4 2 2)  21.891  0.2420  3.0412   24

45.692  1.9840   10.0  ( 4 3 1)  22.846  0.2520  3.1669   26

49.269  1.8480    4.0  ( 5 2 1)  24.634  0.2706  3.4000   30

51.038  1.7880   35.0  ( 4 4 0)  25.519  0.2796  3.5141   32

52.715  1.7350    4.0  ( 4 3 3)  26.358  0.2882  3.6214   34

54.372  1.6860    2.0  ( 6 0 0)  27.186  0.2966  3.7267   36

55.991  1.6410    6.0  ( 6 1 1)  27.996  0.3047  3.8289   38

57.558  1.6000    2.0  ( 6 2 0)  28.779  0.3125  3.9270   40

59.137  1.5610    4.0  ( 5 4 1)  29.568  0.3203  4.0251   42

60.678  1.5250   25.0  ( 6 2 2)  30.339  0.3279  4.1201   44

62.167  1.4920    6.0  ( 6 3 1)  31.083  0.3351  4.2113   46

63.687  1.4600    6.0  ( 4 4 4)  31.843  0.3425  4.3036   48

65.135  1.4310    2.0  ( 5 4 3)  32.567  0.3494  4.3908   50

66.602  1.4030    2.0  ( 6 4 0)  33.301  0.3564  4.4784   52

68.029  1.3770    4.0  ( 7 2 1)  34.014  0.3631  4.5630   54

69.465  1.3520    2.0  ( 6 4 2)  34.732  0.3698  4.6473   56

73.661  1.2850    4.0  ( 6 5 1)  36.831  0.3891  4.8896   62

75.024  1.2650    4.0  ( 8 0 0)  37.512  0.3953  4.9669   64

76.372  1.2460    4.0  ( 7 4 1)  38.186  0.4013  5.0427   66

77.774  1.2270    2.0  ( 8 2 0)  38.887  0.4075  5.1208   68

79.157  1.2090    4.0  ( 6 5 3)  39.578  0.4136  5.1970   70

80.515  1.1920    2.0  ( 8 2 2)  40.257  0.4195  5.2711   72

81.824  1.1762    4.0  ( 8 3 1)  40.912  0.4251  5.3419   74

83.166  1.1606    6.0  ( 6 6 2)  41.583  0.4308  5.4137   76

84.504  1.1456     <1  ( 7 5 2)  42.252  0.4365  5.4846   78

85.836  1.1312    4.0  ( 8 4 0)  42.918  0.4420  5.5544   80

87.169  1.1173    2.0  ( 8 3 3)  43.585  0.4475  5.6235   82

88.490  1.1040    2.0  ( 8 4 2)  44.245  0.4529  5.6913   84

89.818  1.0911    2.0  ( 7 6 1)  44.909  0.4583  5.7586   86

91.149  1.0786     <1  ( 6 6 4)  45.575  0.4636  5.8253   88

92.484  1.0665    2.0  ( 8 5 1)  46.242  0.4688  5.8914   90

95.142  1.0436    2.0  ( 9 3 2)  47.571  0.4791  6.0207   94

96.474  1.0327    4.0  ( 8 4 4)  48.237  0.4842  6.0842   96  

附图:

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  1. CONNECT:[ UseTime:0.001239s ] mysql:host=127.0.0.1;port=3306;dbname=wenku;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.002143s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000785s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000612s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.001386s ]
  6. SELECT * FROM `set` [ RunTime:0.000509s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.001430s ]
  8. SELECT * FROM `article` WHERE `id` = 948965 LIMIT 1 [ RunTime:0.001162s ]
  9. UPDATE `article` SET `lasttime` = 1787117666 WHERE `id` = 948965 [ RunTime:0.002347s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000702s ]
  11. SELECT * FROM `article` WHERE `id` < 948965 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.001300s ]
  12. SELECT * FROM `article` WHERE `id` > 948965 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.001271s ]
  13. SELECT * FROM `article` WHERE `id` < 948965 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.002162s ]
  14. SELECT * FROM `article` WHERE `id` < 948965 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.001840s ]
  15. SELECT * FROM `article` WHERE `id` < 948965 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.006276s ]
0.193282s