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科研小记 | XRD标准卡片PDF#00-041-1431、PDF#00-006-0180和#00-029-1129

科研小记 | XRD标准卡片PDF#00-041-1431、PDF#00-006-0180和#00-029-1129
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01
PDF#00-041-1431

PDF#00-041-1431(RDB):质标=星印(S);d=衍射仪;I=衍射仪

Scheelite, syn(Calcium Tungsten Oxide)

Ca W O4 Colorless

射线=CuKa1 波长=1.540598 滤波法=Graph

校准=内部(Si) 2θ=18.608-134.532 I/Ic(K值)=2.49

文献: Blanchard, F.

Powder Diffraction, v4 p220(1989)

四方晶系-粉末衍射,I41/a(88) Z=4

晶胞: 5.24294x5.24294x11.373 <90.0x90.0x90.0> P.S=tI24.00

密度(计算)=6.117 密度(测量)=6.1 分子量=287.93 体积=312.63 F(30)=109.4(0.0078,35/0)

文献: Kay, M., Frazer, B., Almodovar, I.

J. Chem. Phys., v40 p504(1964)

强峰线: 3.10/X 4.76/8 2.84/4 1.93/4 3.07/3 1.59/2 2.62/2 2.30/2

Additional Patterns: To replace 00-007-0210 and 00-008-0145.

See PDF 01-077-2233.

Color: Colorless.

Temperature of Data Collection: Pattern taken at 297(2) K.

Unit Cell Data Source: Powder Diffraction.

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

 18.608  4.7646   84.0  ( 1 0 1)   9.304  0.1049  1.3187     

 28.729  3.1049  100.0  ( 1 1 2)  14.364  0.1610  2.0236     

 29.049  3.0715   30.0  ( 1 0 3)  14.524  0.1628  2.0457     

 31.445  2.8427   39.0  ( 0 0 4)  15.722  0.1759  2.2103     

 34.178  2.6213   19.0  ( 2 0 0)  17.089  0.1907  2.3969     

 37.763  2.3803    1.0  ( 2 0 2)  18.881  0.2101  2.6396     

 39.201  2.2963   18.0  ( 2 1 1)  19.600  0.2177  2.7363     

 39.925  2.2563    3.0  ( 1 1 4)  19.962  0.2216  2.7848     

 43.329  2.0866    6.0  ( 1 0 5)  21.664  0.2396  3.0113     

 45.442  1.9943   10.0  ( 2 1 3)  22.721  0.2507  3.1505     

 47.106  1.9277   36.0  ( 2 0 4)  23.553  0.2594  3.2594     

 49.110  1.8536   15.0  ( 2 2 0)  24.555  0.2697  3.3897     

 52.973  1.7272    3.0  ( 3 0 1)  26.486  0.2895  3.6378     

 54.311  1.6878   17.0  ( 1 1 6)  27.155  0.2963  3.7228     

 56.302  1.6327    8.0  ( 2 1 5)  28.151  0.3062  3.8484     

 57.868  1.5922   23.0  ( 3 1 2)  28.934  0.3140  3.9463     

 58.060  1.5874    4.0  ( 3 0 3)  29.030  0.3150  3.9583     

 59.477  1.5529   13.0  ( 2 2 4)  29.738  0.3220  4.0461     

 64.544  1.4427    5.0  ( 3 2 1)  32.272  0.3466  4.3552     

 65.604  1.4219    4.0  ( 0 0 8)  32.802  0.3516  4.4189     

 67.526  1.3860    3.0  ( 3 0 5)  33.763  0.3607  4.5332     

 69.132  1.3577    4.0  ( 3 2 3)  34.566  0.3683  4.6278     

 70.441  1.3356    4.0  ( 2 1 7)  35.221  0.3744  4.7043     

 70.914  1.3279     <1  ( 1 1 8)  35.457  0.3765  4.7317     

 71.969  1.3110    2.0  ( 4 0 0)  35.985  0.3814  4.7927     

 74.167  1.2775     <1  ( 4 0 2)  37.084  0.3914  4.9184     

 75.111  1.2638    2.0  ( 4 1 1)  37.555  0.3956  4.9718     

 76.104  1.2497    7.0  ( 2 0 8)  38.052  0.4001  5.0277     

 76.227  1.2480   11.0  ( 3 1 6)  38.113  0.4006  5.0346     

 77.658  1.2286    2.0  ( 1 0 9)  38.829  0.4070  5.1143     

 77.912  1.2252    1.0  ( 3 2 5)  38.956  0.4081  5.1284     

 79.265  1.2076    4.0  ( 3 3 2)  39.633  0.4140  5.2030     

 79.431  1.2055    2.0  ( 4 1 3)  39.715  0.4148  5.2120     

 80.652  1.1903    7.0  ( 4 0 4)  40.326  0.4201  5.2786     

 80.652  1.1903    7.0  ( 3 0 7)  40.326  0.4201  5.2786     

 82.153  1.1723    4.0  ( 4 2 0)  41.076  0.4265  5.3596     

 86.114  1.1283    3.0  ( 2 2 8)  43.057  0.4432  5.5689     

 87.639  1.1125    1.0  ( 2 1 9)  43.819  0.4494  5.6477     

 87.885  1.1100    1.0  ( 4 1 5)  43.942  0.4504  5.6603     

 90.212  1.0874    3.0  (1,1,10)  45.106  0.4598  5.7784     

 90.596  1.0837    5.0  ( 4 2 4)  45.298  0.4614  5.7977     

 90.596  1.0837    5.0  ( 3 2 7)  45.298  0.4614  5.7977     

 95.081  1.0441    2.0  ( 5 0 1)  47.540  0.4789  6.0177     

 96.162  1.0352    2.0  ( 3 3 6)  48.081  0.4830  6.0694     

 97.566  1.0240     <1  ( 3 0 9)  48.783  0.4883  6.1357     

 98.818  1.0144    1.0  (1,0,11)  49.409  0.4929  6.1941     

 99.156  1.0118    3.0  ( 5 1 2)  49.578  0.4942  6.2097     

 99.309  1.0107    1.0  ( 5 0 3)  49.655  0.4947  6.2168     

100.561  1.0015    1.0  ( 4 1 7)  50.280  0.4993  6.2741     

105.142  0.9700    1.0  ( 5 2 1)  52.571  0.5155  6.4774     

106.137  0.9636    2.0  ( 4 0 8)  53.069  0.5189  6.5202     

107.716  0.9539    1.0  ( 3 2 9)  53.858  0.5242  6.5871     

107.971  0.9523    1.0  ( 5 0 5)  53.986  0.5250  6.5978     

108.730  0.9478    1.0  (0,0,12)  54.365  0.5276  6.6294     

109.021  0.9461    1.0  (2,1,11)  54.510  0.5285  6.6415     

109.530  0.9431    1.0  ( 5 2 3)  54.765  0.5302  6.6625     

110.429  0.9379    3.0  (3,1,10)  55.214  0.5331  6.6992     

112.420  0.9269     <1  ( 4 4 0)  56.210  0.5395  6.7790     

116.788  0.9045    4.0  ( 4 2 8)  58.394  0.5528  6.9470     

116.920  0.9038    3.0  ( 5 1 6)  58.460  0.5532  6.9519     

118.499  0.8963    1.0  ( 4 1 9)  59.249  0.5578  7.0100     

118.788  0.8950    1.0  ( 5 2 5)  59.394  0.5587  7.0205     

119.594  0.8913    1.0  (2,0,12)  59.797  0.5610  7.0495     

119.916  0.8898     <1  (3,0,11)  59.958  0.5619  7.0610     

120.306  0.8881    3.0  ( 5 3 2)  60.153  0.5630  7.0749     

121.919  0.8811    2.0  ( 4 4 4)  60.959  0.5675  7.1313     

121.919  0.8811    2.0  ( 5 0 7)  60.959  0.5675  7.1313     

123.661  0.8738    1.0  ( 6 0 0)  61.830  0.5722  7.1907     

126.430  0.8629    1.0  (1,0,13)  63.215  0.5795  7.2817     

127.348  0.8594    1.0  ( 6 1 1)  63.674  0.5818  7.3109     

131.806  0.8438    2.0  (2,2,12)  65.903  0.5925  7.4460     

132.169  0.8426    1.0  (3,2,11)  66.085  0.5934  7.4566     

132.843  0.8405    1.0  ( 6 1 3)  66.422  0.5949  7.4759     

134.001  0.8368    2.0  (3,3,10)  67.001  0.5975  7.5085     

134.532  0.8352    2.0  ( 6 0 4)  67.266  0.5987  7.5232     

134.532  0.8352    2.0  ( 5 2 7)  67.266  0.5987  7.5232     

附图:

02
PDF#00-006-0180

PDF#00-006-0180(RDB)(作废相):质标=空白(B);d=(未知);I=衍射仪

Gallium Oxide Hydrate

Ga O2 H

射线=CuKa 波长=1.5418 滤波法=Ni

校准= 2θ=18.052-87.889 I/Ic(K值)=

文献: Roy et al.

J. Am. Chem. Soc., v74 p719(1952)

正交晶系-粉末衍射 Z=

晶胞: 4.58x9.8x2.97 <90.0x90.0x90.0> P.S=o??

密度(计算)= 密度(测量)= 分子量=102.73 体积=133.31 F(30)=6.3(0.078,61/0)

文献: Stumpf, Foster.

J. Am. Chem. Soc., v73 p1590(1951)

强峰线: 4.13/X 2.41/4 2.66/4 1.70/3 2.54/1 1.54/1 2.16/1 1.67/1

Deleted Or Rejected By: Deleted by 00-054-0910, higher FN & QM, LRB 1/03.

Unit Cell Data Source: Powder Diffraction.

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

18.052  4.9100    6.0  ( 0 2 0)   9.026  0.1018  1.2797     

19.365  4.5800    2.0  ( 1 0 0)   9.682  0.1092  1.3719     

21.478  4.1340  100.0  ( 1 1 0)  10.739  0.1209  1.5199     

26.668  3.3400   10.0  ( 1 2 0)  13.334  0.1497  1.8812     

33.679  2.6590   35.0  ( 1 3 0)  16.840  0.1880  2.3630     

35.265  2.5430   12.0  ( 0 2 1)  17.632  0.1966  2.4708     

36.041  2.4900    2.0  ( 1 0 1)  18.020  0.2008  2.5234     

36.650  2.4500    4.0  ( 0 4 0)  18.325  0.2041  2.5646     

37.216  2.4140   40.0  ( 1 1 1)  18.608  0.2071  2.6028     

39.384  2.2860    4.0  ( 2 0 0)  19.692  0.2187  2.7486     

40.720  2.2140    8.0  ( 1 2 1)  20.360  0.2258  2.8379     

41.765  2.1610   11.0  ( 1 4 0)  20.883  0.2314  2.9075     

45.765  1.9810    4.0  ( 1 3 1)  22.882  0.2524  3.1717     

47.996  1.8940    2.0  ( 0 4 1)  23.998  0.2640  3.3174     

51.254  1.7810    8.0  ( 2 1 1)  25.627  0.2807  3.5279     

53.990  1.6970   30.0  ( 2 2 1)  26.995  0.2946  3.7025     

54.901  1.6710   10.0  ( 2 4 0)  27.450  0.2992  3.7601     

56.029  1.6400    2.0  ( 0 5 1)  28.014  0.3049  3.8312     

58.235  1.5830    4.0  ( 2 3 1)  29.118  0.3159  3.9692     

59.982  1.5410   12.0  ( 1 5 1)  29.991  0.3245  4.0773     

62.446  1.4860    8.0  ( 0 0 2)  31.223  0.3365  4.2283     

64.030  1.4530    6.0  ( 3 2 0)  32.015  0.3441  4.3243     

65.084  1.4320    4.0  ( 0 6 1)  32.542  0.3492  4.3877     

66.763  1.4000    2.0  ( 0 7 0)  33.381  0.3571  4.4880     

67.861  1.3800    4.0  ( 3 3 0)  33.930  0.3623  4.5530     

68.998  1.3600    2.0  ( 3 0 1)  34.499  0.3676  4.6200     

70.178  1.3400    4.0  ( 1 7 0)  35.089  0.3731  4.6889     

72.674  1.3000    2.0  ( 1 3 2)  36.337  0.3846  4.8332     

74.678  1.2700    2.0  ( 0 4 2)  37.339  0.3937  4.9474     

76.084  1.2500    2.0  ( 3 3 1)  38.042  0.4000  5.0265     

80.678  1.1900    2.0  ( 3 4 1)  40.339  0.4202  5.2800     

85.950  1.1300    4.0  ( 0 8 1)  42.975  0.4425  5.5603     

87.889  1.1100    4.0  ( 2 4 2)  43.944  0.4505  5.6605     

附图:

03
PDF#00-029-1129

PDF#00-029-1129(RDB):质标=定胞(I);d=(未知);I=衍射仪

Moissanite-3C, syn(Silicon Carbide)

Si C Greenish yellow

射线=CuKa 波长=1.54178 滤波法=

校准=内部(Si) 2θ=35.597-133.398 I/Ic(K值)=

文献: Bind, J., Penn State Univ., University Park, PA, USA.

ICDD Grant-in-Aid(1977)

立方晶系-粉末衍射,F-43m(216) Z=4

晶胞: 4.3589x4.3589x4.3589 <90.0x90.0x90.0> P.S=cF8.00

密度(计算)=3.216 密度(测量)= 分子量=40.1 体积=82.82 F(10)=37.3(0.027,10/0)

文献: 出处同上

强峰线: 2.52/X 1.54/4 1.31/3 2.18/2 1.00/1 1.09/1 1.26/1 0.97/1

Additional Patterns: To replace 00-001-1119.

See PDF 01-073-1708, 01-075-0254, 01-073-1665 and 01-074-2307.

Color: Greenish yellow.

General Comments: Described by Regis, A., Sand, L., Bull.

Geol.

Soc.

Am., 69 1633 (1958).

Sample Source or Locality: Specimen from PPG Industries, Inc., Submicron SiC - lot no.

373-652.

Unit Cell Data Source: Powder Diffraction.

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

 35.597  2.5200  100.0  ( 1 1 1)  17.799  0.1984  2.4933    3

 41.384  2.1800   20.0  ( 2 0 0)  20.692  0.2294  2.8822    4

 59.978  1.5411   35.0  ( 2 2 0)  29.989  0.3244  4.0771    8

 71.779  1.3140   25.0  ( 3 1 1)  35.889  0.3805  4.7817   11

 75.493  1.2583    5.0  ( 2 2 2)  37.747  0.3974  4.9934   12

 90.006  1.0893    5.0  ( 4 0 0)  45.003  0.4590  5.7681   16

100.775  0.9999   10.0  ( 3 3 1)  50.387  0.5001  6.2838   19

104.410  0.9748    5.0  ( 4 2 0)  52.205  0.5129  6.4456   20

119.991  0.8895    5.0  ( 4 2 2)  59.996  0.5621  7.0637   24

133.398  0.8387    5.0  ( 5 1 1)  66.699  0.5962  7.4916   27

附图:

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  1. CONNECT:[ UseTime:0.000799s ] mysql:host=127.0.0.1;port=3306;dbname=wenku;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.000861s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000369s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000267s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000497s ]
  6. SELECT * FROM `set` [ RunTime:0.000194s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000622s ]
  8. SELECT * FROM `article` WHERE `id` = 710222 LIMIT 1 [ RunTime:0.000568s ]
  9. UPDATE `article` SET `lasttime` = 1780558453 WHERE `id` = 710222 [ RunTime:0.039805s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.020056s ]
  11. SELECT * FROM `article` WHERE `id` < 710222 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000559s ]
  12. SELECT * FROM `article` WHERE `id` > 710222 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000435s ]
  13. SELECT * FROM `article` WHERE `id` < 710222 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.001537s ]
  14. SELECT * FROM `article` WHERE `id` < 710222 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.000843s ]
  15. SELECT * FROM `article` WHERE `id` < 710222 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.000813s ]
0.144365s