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科研小记 | XRD标准卡片PDF#00-028-1192、PDF#01-077-2042和#00-044-0926

科研小记 | XRD标准卡片PDF#00-028-1192、PDF#01-077-2042和#00-044-0926
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01
PDF#00-028-1192

PDF#00-028-1192(RDB):质标=定胞(I);d=(未知);I=衍射仪

Sodium Yttrium Ytterbium Erbium Fluoride

Na ( Y0.57 Yb0.39 Er0.04 ) F4

射线=CuKa1 波长=1.54051 滤波法=Ni

校准= 2θ=17.137-138.035 I/Ic(K值)=

文献: Fujii, H., Central Research Laboratory Hitachi Limited, Tokyo, Japan.

Private Communication(1975)

六方晶系-粉末衍射 Z=

晶胞: 5.96x5.96x3.51 <90.0x90.0x120.0> P.S=h??

密度(计算)= 密度(测量)= 分子量=223.84 体积=107.98 F(30)=54.4(0.0167,33/0)

文献: Kano, T. et al.

J. Electrochem. Soc., v119 p1561(1972)

强峰线: 5.17/X 2.98/9 2.90/8 2.08/7 1.71/6 1.72/4 2.27/2 1.12/1

Unit Cell Data Source: Powder Diffraction.

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

 17.137  5.1700  100.0  ( 1 0 0)   8.569  0.0967  1.2153     

 25.354  3.5100     <1  ( 0 0 1)  12.677  0.1425  1.7901     

 29.961  2.9800   85.0  ( 1 1 0)  14.980  0.1678  2.1085     

 30.807  2.9000   75.0  ( 1 0 1)  15.404  0.1724  2.1666     

 34.743  2.5800   12.0  ( 2 0 0)  17.371  0.1938  2.4353     

 39.673  2.2700   16.0  ( 1 1 1)  19.836  0.2203  2.7679     

 43.472  2.0800   70.0  ( 2 0 1)  21.736  0.2404  3.0208     

 46.510  1.9510   12.0  ( 2 1 0)  23.255  0.2563  3.2205     

 52.069  1.7550    6.0  ( 0 0 2)  26.035  0.2849  3.5802     

 53.178  1.7210   35.0  ( 3 0 0)  26.589  0.2905  3.6509     

 53.717  1.7050   55.0  ( 2 1 1)  26.858  0.2933  3.6852     

 55.259  1.6610    7.0  ( 1 0 2)  27.630  0.3010  3.7828     

 59.811  1.5450     <1  ( 3 0 1)  29.906  0.3236  4.0668     

 61.255  1.5120    8.0  ( 1 1 2)  30.627  0.3307  4.1555     

 62.259  1.4900    9.0  ( 2 2 0)  31.130  0.3356  4.2169     

 64.129  1.4510    3.0  ( 2 0 2)  32.064  0.3446  4.3302     

 65.084  1.4320    4.0  ( 3 1 0)  32.542  0.3492  4.3877     

 68.311  1.3720     <1  ( 2 2 1)  34.155  0.3644  4.5796     

 71.030  1.3260   11.0  ( 3 1 1)  35.515  0.3771  4.7385     

 72.352  1.3050    4.0  ( 2 1 2)  36.176  0.3831  4.8147     

 73.263  1.2910    1.0  ( 4 0 0)  36.631  0.3873  4.8669     

 77.624  1.2290    8.0  ( 3 0 2)  38.812  0.4068  5.1124     

 79.001  1.2110    3.0  ( 4 0 1)  39.500  0.4129  5.1884     

 81.172  1.1840    1.0  ( 3 2 0)  40.586  0.4223  5.3067     

 84.925  1.1410    2.0  ( 1 0 3)  42.462  0.4382  5.5067     

 85.387  1.1360    3.0  ( 2 2 2)  42.694  0.4401  5.5310     

 86.330  1.1260    9.0  ( 4 1 0)  43.165  0.4440  5.5801     

 86.713  1.1220   13.0  ( 3 2 1)  43.357  0.4456  5.6000     

 87.988  1.1090    3.0  ( 3 1 2)  43.994  0.4509  5.6656     

 92.540  1.0660    2.0  ( 2 0 3)  46.270  0.4690  5.8942     

 95.577  1.0400    1.0  ( 4 0 2)  47.788  0.4808  6.0415     

 96.561  1.0320     <1  ( 5 0 0)  48.280  0.4845  6.0884     

100.348  1.0030    4.0  ( 2 1 3)  50.174  0.4985  6.2644     

101.742  0.9930    2.0  ( 3 3 0)  50.871  0.5035  6.3275     

102.026  0.9910    4.0  ( 5 0 1)  51.013  0.5045  6.3402     

103.333  0.9820    2.0  ( 3 2 2)  51.667  0.5092  6.3984     

108.691  0.9480    6.0  ( 4 1 2)  54.346  0.5274  6.6278     

110.062  0.9400    5.0  ( 4 2 1)  55.031  0.5319  6.6842     

112.394  0.9270     <1  ( 5 1 0)  56.197  0.5394  6.7780     

116.470  0.9060    2.0  ( 3 1 3)  58.235  0.5519  6.9351     

118.567  0.8960    4.0  ( 5 1 1)  59.283  0.5580  7.0125     

119.880  0.8900    1.0  ( 5 0 2)  59.940  0.5618  7.0598     

125.361  0.8670    1.0  ( 4 0 3)  62.680  0.5767  7.2470     

125.876  0.8650    3.0  ( 1 0 4)  62.938  0.5780  7.2638     

127.195  0.8600     <1  ( 6 0 0)  63.597  0.5814  7.3060     

129.122  0.8530     <1  ( 4 2 2)  64.561  0.5862  7.3660     

130.561  0.8480     <1  ( 4 3 0)  65.281  0.5896  7.4094     

132.366  0.8420     <1  ( 1 1 4)  66.183  0.5938  7.4622     

135.589  0.8320    3.0  ( 3 2 3)  67.795  0.6010  7.5519     

137.675  0.8260    3.0  ( 5 2 0)  68.838  0.6053  7.6068     

138.035  0.8250    4.0  ( 4 3 1)  69.018  0.6061  7.6160     

附图:

02
PDF#01-077-2042

PDF#01-077-2042(RDB):质标=定胞(I);d=计算值;I=计算值

Sodium Yttrium Fluoride

Na Y F4

射线=CuKa1 波长=1.5406 滤波法=

校准= 2θ=28.235-138.169 I/Ic(K值)=4.93

文献: Roy, D.M., Roy, R.

J. Electrochem. Soc., v111 p421(1964)

立方晶系-粉末衍射,Fm-3m(225) Z=2

晶胞: 5.47x5.47x5.47 <90.0x90.0x90.0> P.S=cF12.00

密度(计算)=3.813 密度(测量)= 分子量=187.89 体积=163.67 F(16)=999.9(0.0003,16/0)

文献: 出处同上

强峰线: 3.16/X 1.93/8 1.65/3 1.12/1 1.25/1 1.37/1 1.05/1 0.92/1

ANX: AX2.

Analysis: F4 Na1 Y1.

Formula from original source: Na Y F4.

ICSD Collection Code: 60257.

Calculated Pattern Original Remarks: Stable above 978 K (2nd ref., Tomaszewski), 964-978 K: P63/m.

Minor Warning: No e.s.d reported/abstracted on the cell dimension.

No R factors reported/abstracted.

Wyckoff Sequence: c a(FM3-M).

Unit Cell Data Source: Powder Diffraction.

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

 28.235  3.1581  100.0  ( 1 1 1)  14.117  0.1583  1.9895    3

 32.717  2.7350    4.1  ( 2 0 0)  16.358  0.1828  2.2973    4

 46.944  1.9339   80.6  ( 2 2 0)  23.472  0.2585  3.2489    8

 55.686  1.6493   31.8  ( 3 1 1)  27.843  0.3032  3.8097   11

 58.395  1.5791    1.4  ( 2 2 2)  29.198  0.3166  3.9791   12

 68.567  1.3675    8.7  ( 4 0 0)  34.283  0.3656  4.5947   16

 75.734  1.2549    9.6  ( 3 3 1)  37.867  0.3984  5.0069   19

 78.067  1.2231    1.9  ( 4 2 0)  39.033  0.4088  5.1370   20

 87.242  1.1166   13.0  ( 4 2 2)  43.621  0.4478  5.6273   24

 94.064  1.0527    6.0  ( 5 1 1)  47.032  0.4750  5.9686   27

105.615  0.9670    3.6  ( 4 4 0)  52.807  0.5171  6.4978   32

112.840  0.9246    5.9  ( 5 3 1)  56.420  0.5408  6.7956   35

115.329  0.9117    1.1  ( 6 0 0)  57.664  0.5484  6.8920   36

125.906  0.8649    5.3  ( 6 2 0)  62.953  0.5781  7.2648   40

134.866  0.8342    2.4  ( 5 3 3)  67.433  0.5994  7.5323   43

138.169  0.8246    0.7  ( 6 2 2)  69.084  0.6063  7.6194   44 

附图:

03
PDF#00-044-0926

PDF#00-044-0926(RDB):质标=空白(B);d=(未知);I=胶片/目测

Rubidium Antimony Oxide

Rb4 Sb2 O7

射线=CuKa1 波长=1.5406 滤波法=

校准= 2θ=16.972-49.641 I/Ic(K值)=

文献: Josien, F.-A., Duquenoy, G.

Rev. Chim. Miner., v17 p40(1980)

立方晶系-粉末衍射 Z=

晶胞: 8.995x8.995x8.995 <90.0x90.0x90.0> P.S=c??

密度(计算)= 密度(测量)= 分子量=697.37 体积=727.79 F(10)=6.1(0.078,21/0)

文献: 出处同上

强峰线: 3.18/X 2.25/2 1.84/2 3.00/2 2.83/1 2.72/1 5.22/1

Sample Preparation: Prepared by solid-state reaction between ''Rb3 Sb O4'' and ''Sb2 O3'' in 4:1 ratio.

Unit Cell Data Source: Powder Diffraction.

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

16.972  5.2200    5.0  ( 1 1 1)   8.486  0.0958  1.2037    3

22.150  4.0100    2.0  ( 0 1 2)  11.075  0.1247  1.5669    5

28.019  3.1820  100.0  ( 0 2 2)  14.009  0.1571  1.9746    8

29.807  2.9950   15.0  ( 0 0 3)  14.904  0.1669  2.0979    9

31.589  2.8300   10.0  ( 0 1 3)  15.795  0.1767  2.2202   10

32.964  2.7150   10.0  ( 1 1 3)  16.482  0.1842  2.3142   11

37.523  2.3950    2.0  ( 1 2 3)  18.761  0.2088  2.6235   14

40.134  2.2450   20.0  ( 0 0 4)  20.067  0.2227  2.7987   16

45.163  2.0060    2.0  ( 0 2 4)  22.581  0.2493  3.1322   20

49.641  1.8350   20.0  ( 2 2 4)  24.821  0.2725  3.4241   24

附图:

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  1. CONNECT:[ UseTime:0.000580s ] mysql:host=127.0.0.1;port=3306;dbname=wenku;charset=utf8mb4
  2. SHOW FULL COLUMNS FROM `fenlei` [ RunTime:0.000763s ]
  3. SELECT * FROM `fenlei` WHERE `fid` = 0 [ RunTime:0.000303s ]
  4. SELECT * FROM `fenlei` WHERE `fid` = 63 [ RunTime:0.000272s ]
  5. SHOW FULL COLUMNS FROM `set` [ RunTime:0.000480s ]
  6. SELECT * FROM `set` [ RunTime:0.000192s ]
  7. SHOW FULL COLUMNS FROM `article` [ RunTime:0.000557s ]
  8. SELECT * FROM `article` WHERE `id` = 852271 LIMIT 1 [ RunTime:0.000401s ]
  9. UPDATE `article` SET `lasttime` = 1784936812 WHERE `id` = 852271 [ RunTime:0.002856s ]
  10. SELECT * FROM `fenlei` WHERE `id` = 64 LIMIT 1 [ RunTime:0.000234s ]
  11. SELECT * FROM `article` WHERE `id` < 852271 ORDER BY `id` DESC LIMIT 1 [ RunTime:0.000465s ]
  12. SELECT * FROM `article` WHERE `id` > 852271 ORDER BY `id` ASC LIMIT 1 [ RunTime:0.000344s ]
  13. SELECT * FROM `article` WHERE `id` < 852271 ORDER BY `id` DESC LIMIT 10 [ RunTime:0.003655s ]
  14. SELECT * FROM `article` WHERE `id` < 852271 ORDER BY `id` DESC LIMIT 10,10 [ RunTime:0.002048s ]
  15. SELECT * FROM `article` WHERE `id` < 852271 ORDER BY `id` DESC LIMIT 20,10 [ RunTime:0.000685s ]
0.089997s