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凡事都要竭尽全力

1楼2014-06-30 16:26:03

xhtangxh

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【答案】应助回帖

★ ★ ★ ★ ★
感谢参与，应助指数 +1
sunshineyulu: 金币+5, ★★★很有帮助 2014-07-01 21:04:41

Card Information
Names: Silver Carbonate
Formula: Ag2 C O3
PDF Number: 26-339
Quality: star
Subfiles: inorganic COR CP  EDU NBS

Cell and Symmetry Information
System: monoclinic Space Group: P21    (no. 4)
a: 4.8510 b: 9.544 c: 3.2533
b: 91.96
Density (Dx): 6.084 Z: 2

Instrument Information
Radiation: CuKa1 Wavelength: 1.540598
Instrument(d): diffractometer Standard: W
Instrument(I): diffractometer I type: unknown

Comments and Additional Information
General: Major impurities: 0.001 to 0.01% Al and Si; 0.0001 to 0.001% Ca, Cu, Fe, and Mg.
General: Pattern taken at 25 C.
Preparation: The sample was prepared by precipitation, adding K2 C O3 to Ag N O3 solution.
Pattern: To replace 00-012-0766.

Literature References
General:    Natl. Bur. Stand. (U.S.) Monogr. 25 13 36 (1976)

Peak Data

2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
18.277 4.8500 15.0 ( 1 0 0) 9.138 0.1031 1.2955
18.547 4.7800 35.0 ( 0 2 0) 9.273 0.1046 1.3145
20.542 4.3200 30.0 ( 1 1 0) 10.271 0.1157 1.4544
26.110 3.4100 2.0 (-1 2 0) 13.055 0.1466 1.8426
27.403 3.2520 3.0 ( 0 0 1) 13.701 0.1538 1.9321
28.985 3.0780 8.0 ( 0 1 1) 14.493 0.1624 2.0413
32.593 2.7450 60.0 (-1 0 1) 16.297 0.1821 2.2890
33.665 2.6600 100.0 (-1 3 0) 16.833 0.1880 2.3621
35.008 2.5610 6.0 ( 1 1 1) 17.504 0.1952 2.4534
37.072 2.4230 2.0 ( 2 0 0) 18.536 0.2064 2.5931
37.685 2.3850 11.0 ( 0 4 0) 18.843 0.2096 2.6345
37.751 2.3810 13.0 (-1 2 1) 18.875 0.2100 2.6389
38.251 2.3510 8.0 ( 2 1 0) 19.126 0.2127 2.6726
38.748 2.3220 14.0 ( 1 2 1) 19.374 0.2153 2.7059
39.581 2.2750 35.0 ( 0 3 1) 19.791 0.2198 2.7618
41.764 2.1610 11.0 ( 2 2 0) 20.882 0.2314 2.9075
44.346 2.0410 10.0 ( 1 3 1) 22.173 0.2450 3.0785
45.886 1.9760 2.0 (-2 0 1) 22.943 0.2530 3.1797
46.916 1.9350 6.0 (-2 1 1) 23.458 0.2584 3.2471
47.071 1.9290 9.0 ( 2 3 0) 23.535 0.2592 3.2572
47.515 1.9120 4.0 ( 2 0 1) 23.757 0.2615 3.2862
48.512 1.8750 6.0 ( 2 1 1) 24.256 0.2667 3.3510
50.643 1.8010 3.0 (-1 4 1) 25.321 0.2776 3.4887
51.376 1.7770 13.0 ( 1 5 0) 25.688 0.2814 3.5358
53.852 1.7010 3.0 (-2 4 0) 26.926 0.2939 3.6938
54.651 1.6780 9.0 (-2 3 1) 27.326 0.2980 3.7444
55.805 1.6460 6.0 ( 0 5 1) 27.903 0.3038 3.8172
56.065 1.6390 10.0 ( 2 3 1) 28.032 0.3051 3.8335
56.553 1.6260 6.0 ( 0 0 2) 28.276 0.3075 3.8642
56.935 1.6160 1.0 ( 3 0 0) 28.467 0.3094 3.8881
57.913 1.5910 9.0 ( 0 6 0) 28.957 0.3143 3.9492
60.110 1.5380 2.0 (-1 1 2) 30.055 0.3251 4.0853
60.457 1.5300 3.0 ( 3 2 0) 30.229 0.3268 4.1067
60.632 1.5260 3.0 ( 1 0 2) 30.316 0.3277 4.1174
61.299 1.5110 2.0 ( 1 6 0) 30.649 0.3309 4.1583
61.479 1.5070 3.0 ( 1 1 2) 30.739 0.3318 4.1693
63.298 1.4680 1.0 (-3 0 1) 31.649 0.3406 4.2801
64.029 1.4530 1.0 ( 1 2 2) 32.014 0.3441 4.3243
64.177 1.4500 1.0 (-3 1 1) 32.088 0.3448 4.3332
64.626 1.4410 2.0 ( 3 3 0) 32.313 0.3470 4.3603
65.287 1.4280 1.0 ( 3 0 1) 32.644 0.3501 4.4000
66.121 1.4120 1.0 ( 3 1 1) 33.060 0.3541 4.4498
66.815 1.3990 5.0 (-1 3 2) 33.408 0.3574 4.4912

2楼2014-07-01 11:15:11

ifeng1

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【答案】应助回帖

★
感谢参与，应助指数 +1
sunshineyulu: 金币+1, ★有帮助 2014-07-02 11:14:37

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2014-07-01 16:34:18, 11.71 K

3楼2014-07-01 16:34:22

sunshineyulu

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引用回帖:

2楼: Originally posted by xhtangxh at 2014-07-01 11:15:11
Card Information
Names: Silver Carbonate
Formula: Ag2 C O3
PDF Number: 26-339
Quality: star
Subfiles: inorganic COR CP EDU NBS

Cell and Symmetry Information
System: monoclinic Space Group: ...

谢谢~~还想问下有全部角度范围的吗？就是从0到90的，这样画图应该好些，非常感谢！！

凡事都要竭尽全力

4楼2014-07-01 21:04:31

xhtangxh

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【答案】应助回帖

★ ★ ★
sunshineyulu: 金币+3, ★有帮助 2014-07-02 11:13:57

Ag2CO3是同质多象的，分六方和单斜两种对称性晶相，附件的晶相是六方相。
六方相和单斜相各有两种PDF卡片，空间群略有不同，你用哪种晶相的卡片？标准卡片收录的数据是固化的，不会有更多的数据，如果你要包括70度到90度的数据，只能选对称性一致或相近的另一标准卡片作为参考。
与PDF No. 26-339相近的是PDF No. 70-2184：

Card Information
Names: Silver Carbonate
Formula: Ag2 C O3
PDF Number: 70-2184
Quality: calculated
Subfiles: inorganic COR FIZ

Cell and Symmetry Information
System: monoclinic Space Group: P21/m (no.  11)
a: 4.85200 b: 9.55300 c: 3.25500
b: 91.960
Density (Dm): 6.070 Density (Dx): 6.072 Z: 2

Instrument Information
Radiation: CuKa1 Wavelength: 1.54060
Instrument(d): calculated Cut Off: 17.7
Instrument(I): calculated I type: peak heights
I/Icor: 4.11

Comments and Additional Information
ICSD Number: 008011
TT At least one TF missing.
TI Structure du carbonate d'argent

Literature References
General:    Calculated from ICSD using POWD-12++          (1997)
Structure: Masse, R., Guitel, J.C., Durif, A. Acta Crystallogr., Sec. B 35  1428 (1979)

Peak Data
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
18.280 4.8492 8.6 ( 1 0 0) 9.140 0.1031 1.2957
18.561 4.7765 33.9 ( 0 2 0) 9.280 0.1047 1.3154
20.523 4.3240 32.4 ( 1 1 0) 10.261 0.1156 1.4531
26.166 3.4029 1.0 ( 1 2 0) 13.083 0.1469 1.8464
27.394 3.2531 2.1 ( 0 0 1) 13.697 0.1537 1.9314
28.971 3.0794 8.5 ( 0 1 1) 14.486 0.1624 2.0404
32.590 2.7453 68.4 (-1 0 1) 16.295 0.1821 2.2887
33.643 2.6617 100.0 ( 1 3 0) 16.821 0.1878 2.3606
34.990 2.5623 5.0 ( 1 1 1) 17.495 0.1951 2.4522
37.047 2.4246 20.1 ( 2 0 0) 18.524 0.2062 2.5915
37.632 2.3883 5.4 ( 0 4 0) 18.816 0.2094 2.6309
37.764 2.3802 11.9 (-1 2 1) 18.882 0.2101 2.6398
38.267 2.3501 5.8 ( 2 1 0) 19.133 0.2128 2.6736
38.717 2.3238 13.2 ( 1 2 1) 19.359 0.2152 2.7039
39.571 2.2756 46.8 ( 0 3 1) 19.785 0.2197 2.7611
41.744 2.1620 10.6 ( 2 2 0) 20.872 0.2313 2.9062
42.142 2.1425 0.4 ( 1 4 0) 21.071 0.2334 2.9326
43.488 2.0793 0.5 (-1 3 1) 21.744 0.2405 3.0219
44.338 2.0413 9.5 ( 1 3 1) 22.169 0.2449 3.0780
45.869 1.9767 0.7 (-2 0 1) 22.935 0.2529 3.1786
46.898 1.9357 4.7 (-2 1 1) 23.449 0.2583 3.2460
47.070 1.9290 9.0 ( 2 3 0) 23.535 0.2592 3.2571
47.171 1.9252 4.6 ( 0 4 1) 23.585 0.2597 3.2637
47.490 1.9129 3.0 ( 2 0 1) 23.745 0.2614 3.2846
48.493 1.8757 4.6 ( 2 1 1) 24.246 0.2666 3.3498
49.888 1.8265 0.4 (-2 2 1) 24.944 0.2738 3.4401
50.617 1.8018 3.3 (-1 4 1) 25.309 0.2775 3.4871
51.358 1.7776 11.4 ( 1 5 0) 25.679 0.2813 3.5346
53.837 1.7014 1.9 ( 2 4 0) 26.918 0.2939 3.6928
54.601 1.6794 13.2 (-2 3 1) 27.300 0.2977 3.7413
55.751 1.6475 5.9 ( 0 5 1) 27.876 0.3035 3.8138
56.035 1.6398 9.1 ( 2 3 1) 28.017 0.3049 3.8317
56.532 1.6265 6.9 ( 0 0 2) 28.266 0.3074 3.8629
56.920 1.6164 2.1 ( 3 0 0) 28.460 0.3093 3.8872
57.421 1.6035 0.6 ( 0 1 2) 28.710 0.3118 3.9185
57.867 1.5922 7.2 ( 3 1 0) 28.933 0.3140 3.9463
58.837 1.5682 0.1 (-1 5 1) 29.419 0.3188 4.0066
59.250 1.5583 0.1 (-1 0 2) 29.625 0.3209 4.0322
59.524 1.5517 0.2 ( 1 5 1) 29.762 0.3222 4.0491
60.036 1.5397 2.7 ( 0 2 2) 30.018 0.3247 4.0807
60.410 1.5311 2.2 ( 3 2 0) 30.205 0.3266 4.1037
60.612 1.5265 1.9 ( 1 0 2) 30.306 0.3276 4.1162
60.774 1.5228 0.7 (-2 4 1) 30.387 0.3283 4.1262
61.222 1.5127 1.1 ( 1 6 0) 30.611 0.3305 4.1536
61.464 1.5073 2.0 ( 1 1 2) 30.732 0.3317 4.1684
61.767 1.5007 0.5 ( 2 5 0) 30.883 0.3332 4.1869
62.117 1.4930 0.4 ( 2 4 1) 31.059 0.3349 4.2083
62.659 1.4814 0.1 (-1 2 2) 31.330 0.3375 4.2413
63.313 1.4677 2.6 (-3 0 1) 31.656 0.3407 4.2810
63.979 1.4540 1.2 ( 1 2 2) 31.990 0.3439 4.3213
64.144 1.4507 1.8 (-3 1 1) 32.072 0.3447 4.3312
64.250 1.4485 2.3 ( 0 3 2) 32.125 0.3452 4.3377
64.610 1.4413 5.2 ( 3 3 0) 32.305 0.3469 4.3593
65.181 1.4301 0.7 ( 0 6 1) 32.590 0.3496 4.3936
65.276 1.4282 1.3 ( 3 0 1) 32.638 0.3501 4.3993
66.094 1.4125 1.5 ( 3 1 1) 33.047 0.3540 4.4482
66.603 1.4030 2.1 (-3 2 1) 33.301 0.3564 4.4786
66.780 1.3997 8.0 (-1 3 2) 33.390 0.3572 4.4891
68.010 1.3773 9.2 (-1 6 1) 34.005 0.3630 4.5620
68.272 1.3727 9.0 (-2 5 1) 34.136 0.3643 4.5774
68.517 1.3684 3.3 ( 3 2 1) 34.258 0.3654 4.5918
68.645 1.3661 5.1 ( 1 6 1) 34.323 0.3660 4.5994
69.474 1.3518 1.2 ( 2 5 1) 34.737 0.3699 4.6479
69.915 1.3444 0.9 ( 0 4 2) 34.957 0.3719 4.6737
70.259 1.3386 0.5 ( 3 4 0) 35.130 0.3735 4.6938
70.604 1.3329 2.1 (-3 3 1) 35.302 0.3751 4.7139
70.729 1.3309 4.6 ( 2 6 0) 35.365 0.3757 4.7211
71.447 1.3192 1.4 (-2 2 2) 35.724 0.3790 4.7627
71.578 1.3172 1.4 ( 2 1 2) 35.789 0.3796 4.7702
71.797 1.3137 0.9 ( 1 7 0) 35.899 0.3806 4.7829
72.470 1.3031 2.7 ( 3 3 1) 36.235 0.3837 4.8216
73.581 1.2862 0.1 ( 1 4 2) 36.790 0.3887 4.8852
73.918 1.2811 0.5 ( 2 2 2) 36.959 0.3903 4.9044
75.335 1.2605 0.2 (-2 3 2) 37.668 0.3967 4.9846
75.480 1.2585 0.2 ( 0 7 1) 37.740 0.3973 4.9928
76.050 1.2504 0.4 (-3 4 1) 38.025 0.3999 5.0248
76.810 1.2400 0.6 (-2 6 1) 38.405 0.4032 5.0672
77.248 1.2340 0.6 ( 3 5 0) 38.624 0.4052 5.0916
77.761 1.2271 2.0 ( 2 3 2) 38.881 0.4074 5.1201
78.018 1.2237 2.3 ( 2 6 1) 39.009 0.4086 5.1344
78.749 1.2142 0.1 ( 1 7 1) 39.375 0.4118 5.1747
78.898 1.2123 0.6 ( 4 0 0) 39.449 0.4124 5.1829
79.268 1.2076 1.5 (-1 5 2) 39.634 0.4141 5.2032
79.656 1.2026 0.6 ( 4 1 0) 39.828 0.4157 5.2245
80.340 1.1941 0.6 ( 0 8 0) 40.170 0.4187 5.2617
80.466 1.1926 0.9 ( 1 5 2) 40.233 0.4193 5.2686
80.669 1.1901 1.0 (-2 4 2) 40.335 0.4201 5.2796
81.920 1.1750 0.2 ( 4 2 0) 40.960 0.4255 5.3472
82.637 1.1667 0.1 (-3 0 2) 41.318 0.4286 5.3856
82.875 1.1639 0.3 (-3 5 1) 41.438 0.4296 5.3983
83.388 1.1580 0.7 (-3 1 2) 41.694 0.4318 5.4257
84.203 1.1489 0.6 (-4 0 1) 42.101 0.4352 5.4688
84.654 1.1439 1.0 ( 3 5 1) 42.327 0.4371 5.4926
84.951 1.1407 0.8 (-4 1 1) 42.476 0.4383 5.5082
85.219 1.1378 2.6 ( 0 6 2) 42.609 0.4394 5.5223
85.544 1.1343 1.8 ( 3 6 0) 42.772 0.4408 5.5393
85.669 1.1330 1.9 (-3 2 2) 42.834 0.4413 5.5458
86.192 1.1274 1.2 ( 3 0 2) 43.096 0.4435 5.5731
86.570 1.1235 1.5 ( 4 0 1) 43.285 0.4450 5.5927
86.809 1.1210 0.8 ( 0 8 1) 43.404 0.4460 5.6050
87.192 1.1171 0.6 (-4 2 1) 43.596 0.4476 5.6248
87.525 1.1136 0.3 (-2 5 2) 43.763 0.4490 5.6420
87.790 1.1110 0.2 ( 2 7 1) 43.895 0.4501 5.6556
88.705 1.1019 0.9 ( 1 6 2) 44.353 0.4538 5.7023
89.175 1.0973 0.8 ( 3 2 2) 44.587 0.4557 5.7262
89.363 1.0955 2.6 (-3 3 2) 44.681 0.4564 5.7357
89.551 1.0936 1.1 ( 4 2 1) 44.776 0.4572 5.7453
89.773 1.0915 1.0 ( 2 5 2) 44.887 0.4581 5.7565
89.997 1.0894 1.1 ( 1 8 1) 44.998 0.4590 5.7677

5楼2014-07-02 09:35:44

sunshineyulu

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引用回帖:

5楼: Originally posted by xhtangxh at 2014-07-02 09:35:44
Ag2CO3是同质多象的，分六方和单斜两种对称性晶相，附件的晶相是六方相。
六方相和单斜相各有两种PDF卡片，空间群略有不同，你用哪种晶相的卡片？标准卡片收录的数据是固化的，不会有更多的数据，如果你要包括70度 ...

恩，我想要的是单斜晶相的，那是不是用你第一次回复的PDF No. 26-339的数据就可以？还是用 No. 70-2184代替也可以？谢谢！

凡事都要竭尽全力

6楼2014-07-02 11:13:42