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qjf1996

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[求助] XRD图谱物相分析求助已有1人参与

XRD图谱物相分析求助，
有个图是硅藻土与丙烯酸类合成的一种聚合物，然后用这各聚合物去吸附氯化铁，于是就成了这个图，想知道这里面的几个峰到底是什么物相呢？要如何分析呢，可否帮我分析一下或是教下我如何分析呢？图和数据我分别上传
可以分别知道里面的七个峰分别是什么物质或物相吗？

XRD图.jpg

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1楼 2015-04-19 18:47:40

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

mengxianggao

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【答案】应助回帖

★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
感谢参与，应助指数 +1
qjf1996: 金币+50, ★★★很有帮助, 我不是搞晶体的，看不太懂，但还是非常感谢您 2015-04-20 15:10:29

ICDD/JCPDS PDF Retrievals [Level-2 PDF, Sets 1-54 (03/17/04)]
3 Hits Sorted on Phase ID Chemical Formula PDF-# J D #d/I RIR P.S. Space Group a    b    c    c/a Alpha Beta Gamma Z Volume Density CSD#
Calcium Silicate Hydroxide Ca4Si5O13.5(OH)2 29-0381 + F 32      m?24.5 12.030 3.705 7.030 0.584 90.00 97.45 90.00 1 310.7 2.850
PDF#29-0381: QM=Indexed(I); d=Guinier; I=Densitometer
Calcium Silicate Hydroxide
Ca4 Si5 O13.5 ( O H )2 Colorless
Radiation=CuKa1 Lambda=1.54056 Filter=Quartz
Calibration= 2T=7.423-65.494 I/Ic(RIR)=
Ref: Cooksley, B. et al., University of Aberdeen, Old Aberdeen, Scotland.
ICDD Grant-in-Aid (1977)
Monoclinic - Powder Diffraction Z=1 mp=
CELL: 12.03 x 3.705 x 7.03 <90.0 x 97.45 x 90.0> P.S=m?26.5 (?)
Density(c)=2.850 Density(m)=2.850 Mwt=550.75 Vol=310.69 F(30)=9.8(0.025,121/0)
Ref: Bezjak, A. et al.
Nature (London), v248 p581 (1974)
Strong Lines: 3.15/X 2.80/5 1.85/4 1.99/4 3.24/3 2.14/3 1.98/3 3.27/3 3.21/3 3.98/2
NOTE:  Indexing is based on comparison of spacings only and relates to pseudo cell.
Refined by least squares from given data, starting from cell parameters from electron diffraction.
To replace 00-026-1069.
Prepared hydrothermally, from $GG-Ca2 Si O4 and quartz, Ca O and quartz, or Ca O and silicic acid.
Calcite used as internal standard.
Sometimes called "3.15 phase".
Crystal data relate to pseudo cell.
Structure shows polytypism in the true cell; the dominant polytype is A-centered with a indefinite and b and c doubled (A$HO 22, Bezjak et al.).
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
7.423 11.9000 3.0 ( 1 0 0) 3.711 0.0420 0.5280
12.690 6.9700 10.0 ( 0 0 1) 6.345 0.0717 0.9015
22.319 3.9800 20.0 ( 3 0 0) 11.159 0.1256 1.5787
24.299 3.6600 20.0 (-3 0 1) 12.149 0.1366 1.7167
25.651 3.4700 5.0 (-1 0 2) 12.826 0.1441 1.8107
27.275 3.2670 25.0 ( 0 1 1) 13.637 0.1530 1.9232
27.550 3.2350 30.0 ( 1 0 2) 13.775 0.1546 1.9423
27.795 3.2070 25.0 (-1 1 1) 13.898 0.1559 1.9592
28.336 3.1470 100.0 ( 2 1 0) 14.168 0.1589 1.9966
31.948 2.7990 50.0 ( 2 1 1) 15.974 0.1786 2.2448
32.989 2.7130 15.0 ( 3 1 0) 16.494 0.1843 2.3160
34.209 2.6190 3.0 ( 4 0 1) 17.104 0.1909 2.3991
35.393 2.5340 10.0 (-1 1 2) 17.697 0.1973 2.4796
36.618 2.4520 5.0 ( 3 1 1) 18.309 0.2039 2.5625
37.767 2.3800 3.0 ( 5 0 0) 18.884 0.2101 2.6400
38.438 2.3400 7.0 (-1 0 3) 19.219 0.2137 2.6851
39.672 2.2700 3.0 (-2 0 3) 19.836 0.2203 2.7679
40.471 2.2270 3.0 ( 1 0 3) 20.236 0.2245 2.8214
42.297 2.1350 30.0 ( 4 0 2) 21.149 0.2342 2.9429
44.073 2.0530 20.0 ( 3 1 2) 22.037 0.2435 3.0605
45.618 1.9870 35.0 (-5 1 1) 22.809 0.2516 3.1621
45.788 1.9800 30.0 (-6 0 1) 22.894 0.2525 3.1733
49.154 1.8520 40.0 ( 0 2 0) 24.577 0.2700 3.3926
52.164 1.7520 10.0 ( 6 1 0) 26.082 0.2854 3.5863
52.813 1.7320 3.0 (-4 1 3) 26.406 0.2887 3.6277
54.266 1.6890 5.0 ( 3 1 3) 27.133 0.2960 3.7201
55.549 1.6530 5.0 (-3 2 1) 27.774 0.3025 3.8011
56.289 1.6330 2.0 (-1 2 2) 28.144 0.3062 3.8476
57.244 1.6080 10.0 ( 7 0 1) 28.622 0.3109 3.9075
59.767 1.5460 15.0 (-3 2 2) 29.884 0.3234 4.0642
63.011 1.4740 5.0 ( 7 1 1) 31.505 0.3392 4.2627
65.494 1.4240 15.0 ( 1 2 3) 32.747 0.3511 4.4123

Cristobalite, syn SiO2 39-1425 + D 40      tP12 P41212 (92) 4.973 4.973 6.924 1.392 90.00 90.00 90.00 4 171.2 2.331

PDF#39-1425: QM=Star(S); d=Diffractometer; I=Diffractometer
Cristobalite, syn
Si O2 Colorless
Radiation=CuKa1 Lambda=1.5405981 Filter=Graph
Calibration=Internal(W FP) 2T=21.984-89.277 I/Ic(RIR)=
Ref: Wong-Ng, W., McMurdie, H., Paretzkin, B., Hubbard, C., Dragoo, A., NBS, Gaithersburg, MD, USA.
ICDD Grant-in-Aid (1988)
Tetragonal - Powder Diffraction,  P41212 (92) Z=4 mp=
CELL: 4.9732 x 4.9732 x 6.9236 <90.0 x 90.0 x 90.0> P.S=tP12 (O2 Si)
Density(c)=2.331 Density(m)=3.56A Mwt=60.08 Vol=171.24 F(30)=83.3(.0100,36/0)
Ref: Wong-Ng, W., McMurdie, H., Paretzkin, B., Hubbard, C.
Powder Diffraction, v3 p253 (1988)
Strong Lines: 4.04/X 2.49/1 2.84/1 3.14/1 2.47/1 1.93/1 1.87/1 1.61/1 2.12/1 2.02/1
NOTE:  Cristobalite was prepared by the Trans Tech Company using Berkeley 5 micron MIN-U-SIL(R).
A two kilogram sample was heated at 1600 C for eight hours.
The sample was then air quenched, treated with 6N HCl and then jet-milled.
The +325 mesh fraction was then removed by sieving.
See ICSD 75484 (PDF 01-082-1404); ICSD 75490 (PDF 01-082-1410); ICSD 30269 (PDF 01-075-0923); ICSD 34927 (PDF 01-076-0935); ICSD 34928 (PDF 01-076-0936); ICSD 34929 (PDF 01-076-0937); ICSD 47219 (PDF 01-077-1315); ICSD 47220 (PDF 01-077-1316); ICSD 47221 (PDF 01-077-1317) The structure was determined by Peacor (1).
The temperature was ~25 C.
There are a number of other forms of Si O2.
To replace 00-011-0695 and validated by calculated pattern.
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
21.984 4.0397 100.0 ( 1 0 1) 10.992 0.1238 1.5553
25.319 3.5147 <1 ( 1 1 0) 12.660 0.1423 1.7877
28.438 3.1359 8.0 ( 1 1 1) 14.219 0.1594 2.0036
31.461 2.8412 9.0 ( 1 0 2) 15.731 0.1760 2.2115
36.079 2.4874 13.0 ( 2 0 0) 18.040 0.2010 2.5260
36.380 2.4675 4.0 ( 1 1 2) 18.190 0.2026 2.5464
38.409 2.3417 <1 ( 2 0 1) 19.204 0.2135 2.6832
42.655 2.1179 2.0 ( 2 1 1) 21.327 0.2361 2.9667
44.842 2.0196 2.0 ( 2 0 2) 22.421 0.2476 3.1112
47.062 1.9294 4.0 ( 1 1 3) 23.531 0.2592 3.2566
48.610 1.8715 4.0 ( 2 1 2) 24.305 0.2672 3.3574
51.939 1.7591 <1 ( 2 2 0) 25.969 0.2842 3.5719
52.868 1.7303 <1 ( 0 0 4) 26.434 0.2890 3.6312
54.155 1.6922 2.0 ( 2 0 3) 27.077 0.2955 3.7130
56.218 1.6349 <1 ( 1 0 4) 28.109 0.3058 3.8432
57.082 1.6122 3.0 ( 3 0 1) 28.541 0.3101 3.8973
57.506 1.6013 1.0 ( 2 1 3) 28.753 0.3122 3.9238
58.678 1.5721 <1 ( 3 1 0) 29.339 0.3181 3.9968
58.868 1.5675 <1 ( 2 2 2) 29.434 0.3190 4.0085
60.302 1.5336 2.0 ( 3 1 1) 30.151 0.3260 4.0971
62.017 1.4952 2.0 ( 3 0 2) 31.009 0.3344 4.2022
65.100 1.4317 2.0 ( 3 1 2) 32.550 0.3492 4.3888
65.648 1.4210 1.0 ( 2 0 4) 32.824 0.3519 4.4216
66.811 1.3991 1.0 ( 2 2 3) 33.406 0.3574 4.4909
68.674 1.3656 2.0 ( 2 1 4) 34.337 0.3661 4.6010
69.418 1.3528 <1 ( 3 2 1) 34.709 0.3696 4.6447
69.788 1.3465 <1 ( 3 0 3) 34.894 0.3713 4.6663
70.540 1.3340 1.0 ( 1 0 5) 35.270 0.3748 4.7101
72.688 1.2998 1.0 ( 3 1 3) 36.344 0.3847 4.8341
73.906 1.2813 1.0 ( 3 2 2) 36.953 0.3902 4.9036
77.310 1.2332 <1 ( 2 2 4) 38.655 0.4055 5.0951
78.018 1.2237 <1 ( 4 0 1) 39.009 0.4086 5.1344
79.392 1.2060 1.0 ( 4 1 0) 39.696 0.4146 5.2100
81.147 1.1843 1.0 ( 3 2 3) 40.574 0.4222 5.3055
81.860 1.1758 <1 ( 2 1 5) 40.930 0.4253 5.3439
82.881 1.1638 <1 ( 3 1 4) 41.441 0.4296 5.3987
83.617 1.1555 <1 ( 3 3 1) 41.809 0.4327 5.4378
87.837 1.1105 <1 ( 3 3 2) 43.918 0.4502 5.6580
89.117 1.0978 1.0 ( 4 2 1) 44.559 0.4554 5.7233
89.277 1.0963 1.0 ( 1 1 6) 44.638 0.4561 5.7314

Scolecite CaAl2Si3O10!3H2O 41-1355 + D 74      mC152 Cc (9) 18.480 18.960 6.548 0.354 90.00 90.75 90.00 8 2294.1 2.240

PDF#41-1355: QM=Indexed(I); d=Diffractometer; I=Diffractometer
Scolecite
Ca Al2 Si3 O10 !3 H2 O White
Radiation=CuKa1 Lambda=1.54051 Filter=Ni
Calibration=Internal(PbNO3) 2T=13.339-63.106 I/Ic(RIR)=
Ref: Alberti, A., Pongiluppi, D., Vezzalini, G.
Neues Jahrb. Mineral., Abh., v143 p231 (1982)
Monoclinic - Powder Diffraction,  Cc (9) Z=8 mp=
CELL: 18.48 x 18.96 x 6.548 <90.0 x 90.75 x 90.0> P.S=mC200 (?)
Density(c)=2.272 Density(m)=2.240 Mwt=392.34 Vol=2294.10 F(30)=8.7(0.037,94/0)
Ref: Joswig, W., Bartl, H., Fuess, H.
Z. Kristallogr., v166 p219 (1984)
Strong Lines: 6.63/X 4.74/7 5.87/6 2.89/5 4.62/5 2.88/5 2.86/4 2.90/4 4.38/4 4.40/4
NOTE:  Specimen from Deloraine, Tasmania, Australia.
To replace 00-021-0831 and 00-026-1048.
Alternate unit cell: a=6.516, b=18.948, c=9.761, $GB=108.98 in Cc with Z=4.
Optical data on specimen from Surat Thani, Thailand.
See ICSD 8186 (PDF 01-070-2314).
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
13.339 6.6320 100.0 ( 2 2 0) 6.670 0.0754 0.9474
15.081 5.8700 59.0 ( 1 1-1) 7.540 0.0852 1.0704
18.701 4.7410 74.0 ( 0 4 0) 9.350 0.1055 1.3253
19.178 4.6240 49.0 ( 4 0 0) 9.589 0.1081 1.3588
20.160 4.4010 35.0 ( 1 3 1) 10.080 0.1136 1.4277
20.239 4.3840 37.0 ( 3 1-1) 10.120 0.1141 1.4332
20.451 4.3390 8.0 ( 3 1 1) 10.226 0.1152 1.4481
21.044 4.2180 31.0 ( 2 4 0) 10.522 0.1185 1.4896
21.362 4.1560 20.0 ( 4 2 0) 10.681 0.1203 1.5118
24.414 3.6430 10.0 ( 3 3 1) 12.207 0.1372 1.7247
26.930 3.3080 4.0 ( 4 4 0) 13.465 0.1511 1.8994
27.663 3.2220 14.0 ( 1 5 1) 13.832 0.1552 1.9501
27.973 3.1870 10.0 ( 5 1-1) 13.987 0.1569 1.9715
28.235 3.1580 14.0 ( 5 1 1) 14.118 0.1583 1.9896
28.937 3.0830 7.0 ( 2 0-2) 14.468 0.1622 2.0380
29.111 3.0650 4.0 ( 2 0 2) 14.555 0.1631 2.0500
29.847 2.9910 12.0 ( 2 6 0) 14.924 0.1672 2.1007
30.441 2.9340 31.0 ( 2 2-2) 15.221 0.1704 2.1415
30.441 2.9340 31.0 ( 6 2 0) 15.221 0.1704 2.1415
30.785 2.9020 40.0 ( 3 5-1) 15.393 0.1723 2.1651
30.927 2.8890 54.0 ( 3 5 1) 15.464 0.1731 2.1749
31.004 2.8820 48.0 ( 5 3-1) 15.502 0.1735 2.1801
31.271 2.8580 42.0 ( 5 3 1) 15.636 0.1749 2.1985
34.371 2.6070 3.0 ( 4 6 0) 17.185 0.1918 2.4101
34.687 2.5840 9.0 ( 2 4-2) 17.343 0.1935 2.4316
34.687 2.5840 9.0 ( 6 4 0) 17.343 0.1935 2.4316
34.756 2.5790 7.0 ( 4 2-2) 17.378 0.1939 2.4363
36.205 2.4790 8.0 ( 1 7 1) 18.103 0.2017 2.5346
36.205 2.4790 8.0 ( 1 7-1) 18.103 0.2017 2.5346
36.680 2.4480 2.0 ( 5 5 1) 18.340 0.2042 2.5667
36.805 2.4400 3.0 ( 7 1-1) 18.402 0.2049 2.5751
37.104 2.4210 8.0 ( 7 1 1) 18.552 0.2065 2.5953
37.916 2.3710 1.0 ( 0 8 0) 18.958 0.2109 2.6500
38.506 2.3360 1.0 ( 4 4-2) 19.253 0.2140 2.6897
38.748 2.3220 3.0 ( 3 7-1) 19.374 0.2153 2.7059
38.852 2.3160 4.0 ( 3 7 1) 19.426 0.2159 2.7129
38.852 2.3160 4.0 ( 4 4 2) 19.426 0.2159 2.7129
39.204 2.2960 4.0 ( 2 8 0) 19.602 0.2178 2.7366
39.258 2.2930 4.0 ( 7 3-1) 19.629 0.2181 2.7402
39.636 2.2720 4.0 ( 0 6 2) 19.818 0.2201 2.7655
39.966 2.2540 3.0 ( 6 0-2) 19.983 0.2218 2.7876
40.077 2.2480 3.0 ( 8 2 0) 20.038 0.2224 2.7950
40.835 2.2080 29.0 ( 6 6 0) 20.418 0.2264 2.8456
40.835 2.2080 29.0 ( 2 6-2) 20.418 0.2264 2.8456
41.583 2.1700 3.0 ( 6 2 2) 20.791 0.2304 2.8955
42.132 2.1430 1.0 ( 1 1 3) 21.066 0.2333 2.9320
42.801 2.1110 3.0 ( 4 8 0) 21.401 0.2369 2.9764
43.516 2.0780 5.0 ( 8 4 0) 21.758 0.2406 3.0237
43.848 2.0630 1.0 ( 7 5-1) 21.924 0.2424 3.0457
44.553 2.0320 4.0 ( 3 1 3) 22.276 0.2461 3.0921
45.473 1.9930 3.0 ( 1 9-1) 22.736 0.2509 3.1526
46.358 1.9570 1.0 ( 3 3-3) 23.179 0.2555 3.2106
46.358 1.9570 1.0 ( 9 1-1) 23.179 0.2555 3.2106
46.686 1.9440 1.0 ( 9 1 1) 23.343 0.2572 3.2321
46.686 1.9440 1.0 ( 3 3 3) 23.343 0.2572 3.2321
47.700 1.9050 3.0 ( 3 9 1) 23.850 0.2625 3.2983
47.700 1.9050 3.0 ( 3 9-1) 23.850 0.2625 3.2983
47.914 1.8970 1.0 ( 0 10 0) 23.957 0.2636 3.3122
48.375 1.8800 3.0 ( 1 5 3) 24.187 0.2660 3.3421
48.375 1.8800 3.0 ( 6 8 0) 24.187 0.2660 3.3421
48.512 1.8750 1.0 ( 2 8 2) 24.256 0.2667 3.3510
48.512 1.8750 1.0 ( 9 3-1) 24.256 0.2667 3.3510
48.734 1.8670 2.0 ( 8 6 0) 24.367 0.2678 3.3654
48.734 1.8670 2.0 ( 9 3 1) 24.367 0.2678 3.3654
48.985 1.8580 4.0 ( 8 2-2) 24.493 0.2691 3.3817
48.985 1.8580 4.0 ( 2 10 0) 24.493 0.2691 3.3817
49.468 1.8410 3.0 ( 8 2 2) 24.734 0.2716 3.4129
50.077 1.8200 6.0 ( 7 7-1) 25.039 0.2747 3.4523
50.077 1.8200 6.0 ( 6 6 2) 25.039 0.2747 3.4523
50.195 1.8160 9.0 ( 7 7 1) 25.098 0.2753 3.4599
50.195 1.8160 9.0 ( 10 2 0) 25.098 0.2753 3.4599
50.493 1.8060 5.0 ( 3 5-3) 25.246 0.2769 3.4791
50.493 1.8060 5.0 ( 5 3-3) 25.246 0.2769 3.4791
51.720 1.7660 5.0 ( 5 9-1) 25.860 0.2831 3.5579
51.720 1.7660 5.0 ( 4 8 2) 25.860 0.2831 3.5579
52.068 1.7550 6.0 ( 4 10 0) 26.034 0.2849 3.5802
52.068 1.7550 6.0 ( 5 9 1) 26.034 0.2849 3.5802
52.357 1.7460 1.0 ( 9 5-1) 26.178 0.2864 3.5986
52.357 1.7460 1.0 ( 8 4 2) 26.178 0.2864 3.5986
53.110 1.7230 5.0 ( 10 4 0) 26.555 0.2902 3.6467
54.336 1.6870 1.0 ( 1 7 3) 27.168 0.2964 3.7245
54.336 1.6870 1.0 ( 1 7-3) 27.168 0.2964 3.7245
54.757 1.6750 1.0 ( 5 5 3) 27.379 0.2985 3.7512
55.294 1.6600 4.0 ( 1 11 1) 27.647 0.3012 3.7851
55.294 1.6600 4.0 ( 1 11-1) 27.647 0.3012 3.7851
56.027 1.6400 5.0 ( 3 7-3) 28.014 0.3049 3.8312
56.027 1.6400 5.0 ( 0 10 2) 28.014 0.3049 3.8312
56.364 1.6310 1.0 ( 3 7 3) 28.182 0.3066 3.8524
56.364 1.6310 1.0 ( 0 0 4) 28.182 0.3066 3.8524
56.973 1.6150 6.0 ( 7 3 3) 28.487 0.3096 3.8905
56.973 1.6150 6.0 ( 2 10-2) 28.487 0.3096 3.8905
57.715 1.5960 4.0 ( 10 2-2) 28.857 0.3133 3.9368
57.715 1.5960 4.0 ( 7 9 1) 28.857 0.3133 3.9368
58.113 1.5860 1.0 ( 9 7 1) 29.057 0.3153 3.9617
58.113 1.5860 1.0 ( 2 2-4) 29.057 0.3153 3.9617
59.895 1.5430 2.0 ( 12 0 0) 29.948 0.3240 4.0721
59.895 1.5430 2.0 ( 4 10 2) 29.948 0.3240 4.0721
62.027 1.4950 3.0 ( 4 12 0) 31.013 0.3344 4.2028
62.027 1.4950 3.0 ( 11 5 1) 31.013 0.3344 4.2028
62.679 1.4810 3.0 ( 9 1 3) 31.339 0.3376 4.2425
62.679 1.4810 3.0 ( 8 8-2) 31.339 0.3376 4.2425
63.106 1.4720 5.0 ( 8 8 2) 31.553 0.3397 4.2685
63.106 1.4720 5.0 ( 3 9-3) 31.553 0.3397 4.2685

似乎与第一个较为吻合。

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