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PDF#04-007-9653(RDB):质标=样板(P);d=计算值;I=计算值
Cesium Europium Chloride
Cs3 Eu Cl6
射线=CuKa1 波长=1.5406 滤波法=
校准= 2θ=6.626-52.586 I/Ic(K值)=3.53
文献: Seifert H.J., Fink H., Baumgartner B.
J. Solid State Chem., v107 p19(1993)
单斜晶系-粉末衍射,C2/c(15) Z=8
晶胞: 27.065x8.192x13.203 <90.0x99.93x90.0> P.S=mC80.00
密度(计算)=3.517 密度(测量)= 分子量=763.39 体积=2883.47 F(30)=64(0.0100,47/0)
文献: 出处同上
强峰线: 3.88/X 4.05/7 2.86/7 2.86/7 4.10/4 4.00/3 3.01/3 3.01/3
LPF Collection Code: 1502950.
Polymorphism/Phase Transition: rt.
Sample Preparation: STARTING MATERIALS:CsCl,EuCl3.
Compound Preparation: melted, quenched, annealed below 673 K for several days.
CRUCIBLE: sealed quartz tube.
Unit Cell Data Source: Powder Diffraction.
标记(11) 位置 占有率 x y z Biso
Cl 8f 1 0.0572 0.4464 0.1815 0.0
Cl 8f 1 0.0576 0.0263 0.6928 0.0
Cl 8f 1 0.0583 0.2261 0.4359 0.0
Cs 8f 1 0.1614 0.1867 0.2982 0.0
Cl 8f 1 0.1765 0.0452 0.0361 0.0
Cl 8f 1 0.2492 0.389 0.1871 0.0
Cl 8f 1 0.3269 0.0549 0.0813 0.0
Cs 8f 1 0.3462 0.1863 0.3546 0.0
Cs 8f 1 0.4504 0.2444 0.0683 0.0
Eu 4e 1 0 0.2165 1/4 0.0
Eu 4c 1 1/4 1/4 0 0.0
2θ d(埃) I(f) ( h k l) θ 1/(2d) 2π/d n^2
6.626 13.3298 0.1 ( 2 0 0) 3.313 0.0375 0.4714
11.291 7.8307 0.6 ( 1 1 0) 5.645 0.0639 0.8024
12.887 6.8639 0.2 (-1 1 1) 6.444 0.0728 0.9154
13.274 6.6649 1.2 ( 4 0 0) 6.637 0.0750 0.9427
13.480 6.5632 10.4 ( 1 1 1) 6.740 0.0762 0.9573
13.606 6.5026 3.8 ( 0 0 2) 6.803 0.0769 0.9663
14.075 6.2871 1.3 (-2 0 2) 7.038 0.0795 0.9994
14.695 6.0232 0.3 ( 3 1 0) 7.348 0.0830 1.0432
15.461 5.7267 5.6 (-3 1 1) 7.730 0.0873 1.0972
16.151 5.4835 0.7 ( 2 0 2) 8.075 0.0912 1.1458
16.916 5.2371 0.2 ( 3 1 1) 8.458 0.0955 1.1998
17.265 5.1320 5.3 (-1 1 2) 8.632 0.0974 1.2243
17.265 5.1320 5.3 (-4 0 2) 8.632 0.0974 1.2243
18.154 4.8826 0.3 ( 1 1 2) 9.077 0.1024 1.2869
18.861 4.7012 0.1 (-3 1 2) 9.430 0.1064 1.3365
20.039 4.4274 25.1 ( 6 0 0) 10.019 0.1129 1.4192
20.039 4.4274 25.1 (-5 1 1) 10.019 0.1129 1.4192
20.646 4.2986 7.2 ( 4 0 2) 10.323 0.1163 1.4617
21.679 4.0960 35.0 ( 0 2 0) 10.840 0.1221 1.5340
21.928 4.0501 67.5 ( 5 1 1) 10.964 0.1235 1.5514
22.182 4.0043 29.0 (-6 0 2) 11.091 0.1249 1.5691
22.743 3.9068 15.8 ( 2 2 0) 11.371 0.1280 1.6083
22.743 3.9068 15.8 ( 0 2 1) 11.371 0.1280 1.6083
22.921 3.8768 100.0 (-1 1 3) 11.461 0.1290 1.6207
23.374 3.8027 1.5 (-2 2 1) 11.687 0.1315 1.6523
24.047 3.6978 0.4 ( 2 2 1) 12.024 0.1352 1.6992
25.611 3.4754 4.8 ( 0 2 2) 12.806 0.1439 1.8079
25.611 3.4754 4.8 (-7 1 1) 12.806 0.1439 1.8079
25.808 3.4493 2.7 (-4 2 1) 12.904 0.1450 1.8216
25.808 3.4493 2.7 ( 7 1 0) 12.904 0.1450 1.8216
26.148 3.4053 1.4 ( 6 0 2) 13.074 0.1468 1.8451
26.474 3.3640 0.5 (-5 1 3) 13.237 0.1486 1.8678
26.730 3.3324 2.8 ( 8 0 0) 13.365 0.1500 1.8855
26.730 3.3324 2.8 ( 3 1 3) 13.365 0.1500 1.8855
27.024 3.2968 10.8 (-2 0 4) 13.512 0.1517 1.9059
27.024 3.2968 10.8 ( 4 2 1) 13.512 0.1517 1.9059
27.410 3.2513 0.7 ( 0 0 4) 13.705 0.1538 1.9325
27.721 3.2155 0.6 ( 7 1 1) 13.861 0.1555 1.9541
27.876 3.1979 3.0 (-4 2 2) 13.938 0.1564 1.9648
27.876 3.1979 3.0 (-8 0 2) 13.938 0.1564 1.9648
28.368 3.1436 1.5 (-4 0 4) 14.184 0.1591 1.9988
29.178 3.0581 12.3 (-1 1 4) 14.589 0.1635 2.0546
29.631 3.0124 25.4 (-3 1 4) 14.816 0.1660 2.0858
29.631 3.0124 25.4 (-6 2 1) 14.816 0.1660 2.0858
30.112 2.9653 22.9 ( 4 2 2) 15.056 0.1686 2.1189
30.442 2.9340 11.6 (-7 1 3) 15.221 0.1704 2.1415
30.715 2.9085 14.6 ( 5 1 3) 15.357 0.1719 2.1603
31.212 2.8634 65.2 (-6 2 2) 15.606 0.1746 2.1943
31.212 2.8634 65.2 ( 6 2 1) 15.606 0.1746 2.1943
32.201 2.7776 0.8 ( 8 0 2) 16.100 0.1800 2.2621
32.634 2.7418 19.7 ( 4 0 4) 16.317 0.1824 2.2917
32.769 2.7308 12.2 ( 3 1 4) 16.384 0.1831 2.3009
33.589 2.6660 20.0 (-1 3 1) 16.794 0.1876 2.3568
33.589 2.6660 20.0 (10,0,0) 16.794 0.1876 2.3568
33.960 2.6377 2.6 ( 9 1 1) 16.980 0.1896 2.3821
34.047 2.6311 1.9 (-10,0,2) 17.024 0.1900 2.3881
34.216 2.6185 4.9 (-6 2 3) 17.108 0.1909 2.3995
34.216 2.6185 4.9 ( 6 2 2) 17.108 0.1909 2.3995
34.674 2.5850 1.4 ( 8 2 0) 17.337 0.1934 2.4307
34.674 2.5850 1.4 (-3 3 1) 17.337 0.1934 2.4307
34.786 2.5769 3.4 (-7 1 4) 17.393 0.1940 2.4383
34.938 2.5660 1.9 (-2 2 4) 17.469 0.1949 2.4486
35.050 2.5581 0.6 (-8 0 4) 17.525 0.1955 2.4562
35.214 2.5466 0.7 ( 0 2 4) 17.607 0.1963 2.4673
35.334 2.5382 0.6 (-9 1 3) 17.667 0.1970 2.4755
35.563 2.5224 10.7 (-8 2 2) 17.782 0.1982 2.4910
35.563 2.5224 10.7 (-1 3 2) 17.782 0.1982 2.4910
35.653 2.5162 6.5 ( 7 1 3) 17.826 0.1987 2.4971
35.792 2.5067 1.5 (-1 1 5) 17.896 0.1995 2.5065
36.026 2.4910 2.5 (-4 2 4) 18.013 0.2007 2.5223
36.026 2.4910 2.5 ( 1 3 2) 18.013 0.2007 2.5223
36.418 2.4651 2.5 ( 5 1 4) 18.209 0.2028 2.5489
36.418 2.4651 2.5 (-3 3 2) 18.209 0.2028 2.5489
36.937 2.4316 2.5 ( 6 0 4) 18.468 0.2056 2.5839
36.937 2.4316 2.5 ( 5 3 0) 18.468 0.2056 2.5839
37.061 2.4238 4.4 (-5 3 1) 18.531 0.2063 2.5923
37.061 2.4238 4.4 ( 9 1 2) 18.531 0.2063 2.5923
37.375 2.4041 0.6 (-5 1 5) 18.688 0.2080 2.6135
37.751 2.3810 0.7 ( 3 3 2) 18.876 0.2100 2.6389
38.169 2.3559 12.0 (-11,1,1) 19.085 0.2122 2.6670
38.169 2.3559 12.0 ( 5 3 1) 19.085 0.2122 2.6670
38.258 2.3506 8.9 ( 6 2 3) 19.129 0.2127 2.6730
38.258 2.3506 8.9 (-6 2 4) 19.129 0.2127 2.6730
38.478 2.3377 1.6 (-5 3 2) 19.239 0.2139 2.6878
38.615 2.3297 1.4 (10,0,2) 19.308 0.2146 2.6970
38.778 2.3203 11.2 (11,1,0) 19.389 0.2155 2.7079
38.778 2.3203 11.2 (-1 3 3) 19.389 0.2155 2.7079
38.905 2.3130 6.7 (-11,1,2) 19.453 0.2162 2.7164
39.270 2.2924 6.6 ( 3 1 5) 19.635 0.2181 2.7409
39.349 2.2880 4.3 ( 1 3 3) 19.674 0.2185 2.7462
39.349 2.2880 4.3 (-3 3 3) 19.674 0.2185 2.7462
39.520 2.2784 9.3 ( 4 2 4) 19.760 0.2194 2.7577
39.967 2.2540 18.8 (-7 1 5) 19.984 0.2218 2.7876
39.967 2.2540 18.8 (-10,2,1) 19.984 0.2218 2.7876
40.333 2.2344 7.1 (10,2,0) 20.166 0.2238 2.8121
40.603 2.2201 14.3 (-2 2 5) 20.301 0.2252 2.8301
40.603 2.2201 14.3 ( 5 3 2) 20.301 0.2252 2.8301
40.726 2.2137 9.4 (-10,2,2) 20.363 0.2259 2.8383
40.879 2.2058 9.1 (-11,1,3) 20.440 0.2267 2.8485
40.983 2.2004 13.9 (-2 0 6) 20.492 0.2272 2.8555
40.983 2.2004 13.9 ( 7 1 4) 20.492 0.2272 2.8555
41.091 2.1949 8.3 ( 0 2 5) 20.545 0.2278 2.8627
41.091 2.1949 8.3 (-5 3 3) 20.545 0.2278 2.8627
41.232 2.1877 9.9 ( 3 3 3) 20.616 0.2285 2.8720
41.232 2.1877 9.9 ( 9 1 3) 20.616 0.2285 2.8720
41.344 2.1820 5.7 (-4 2 5) 20.672 0.2291 2.8795
41.626 2.1679 4.7 ( 0 0 6) 20.813 0.2306 2.8983
41.626 2.1679 4.7 (-7 3 2) 20.813 0.2306 2.8983
42.004 2.1493 1.5 ( 8 0 4) 21.002 0.2326 2.9234
42.004 2.1493 1.5 (10,2,1) 21.002 0.2326 2.9234
42.637 2.1188 3.7 ( 5 1 5) 21.319 0.2360 2.9655
42.637 2.1188 3.7 ( 2 2 5) 21.319 0.2360 2.9655
42.730 2.1144 2.2 (-10,2,3) 21.365 0.2365 2.9716
42.976 2.1029 4.6 ( 8 2 3) 21.488 0.2378 2.9879
42.976 2.1029 4.6 (-1 3 4) 21.488 0.2378 2.9879
43.130 2.0957 2.7 (-6 0 6) 21.565 0.2386 2.9981
43.304 2.0877 0.8 (-3 3 4) 21.652 0.2395 3.0096
43.427 2.0821 0.9 (11,1,2) 21.714 0.2401 3.0178
43.427 2.0821 0.9 ( 2 0 6) 21.714 0.2401 3.0178
43.549 2.0765 0.5 (-9 1 5) 21.775 0.2408 3.0258
43.764 2.0668 0.2 ( 1 3 4) 21.882 0.2419 3.0400
43.949 2.0586 0.7 (-7 3 3) 21.974 0.2429 3.0522
43.949 2.0586 0.7 (-11,1,4) 21.974 0.2429 3.0522
44.187 2.0480 2.9 ( 0 4 0) 22.094 0.2441 3.0680
44.761 2.0231 10.4 ( 0 4 1) 22.380 0.2471 3.1058
44.761 2.0231 10.4 ( 2 4 0) 22.380 0.2471 3.1058
44.890 2.0176 6.3 (-13,1,1) 22.445 0.2478 3.1142
45.254 2.0022 4.2 (-12,0,4) 22.627 0.2497 3.1382
45.254 2.0022 4.2 (12,0,2) 22.627 0.2497 3.1382
45.351 1.9981 2.6 (-13,1,2) 22.675 0.2502 3.1445
45.622 1.9869 1.1 ( 3 3 4) 22.811 0.2516 3.1623
45.622 1.9869 1.1 (-9 3 2) 22.811 0.2516 3.1623
45.796 1.9797 1.1 (-8 0 6) 22.898 0.2526 3.1738
45.796 1.9797 1.1 (-10,2,4) 22.898 0.2526 3.1738
45.895 1.9757 1.7 (-12,2,1) 22.947 0.2531 3.1802
46.035 1.9700 1.2 ( 3 1 6) 23.018 0.2538 3.1895
46.035 1.9700 1.2 (-8 2 5) 23.018 0.2538 3.1895
46.182 1.9641 2.1 ( 4 0 6) 23.091 0.2546 3.1991
46.182 1.9641 2.1 ( 9 1 4) 23.091 0.2546 3.1991
46.342 1.9577 2.1 ( 4 4 0) 23.171 0.2554 3.2095
46.449 1.9534 4.1 ( 0 4 2) 23.224 0.2560 3.2165
46.449 1.9534 4.1 (12,2,0) 23.224 0.2560 3.2165
46.531 1.9502 3.9 (-2 4 2) 23.265 0.2564 3.2219
46.531 1.9502 3.9 ( 9 3 1) 23.265 0.2564 3.2219
46.830 1.9384 17.5 (-2 2 6) 23.415 0.2579 3.2414
46.830 1.9384 17.5 ( 7 1 5) 23.415 0.2579 3.2414
46.919 1.9349 11.0 (-13,1,3) 23.460 0.2584 3.2473
47.170 1.9252 3.9 (-7 3 4) 23.585 0.2597 3.2636
47.298 1.9203 5.8 (-14,0,2) 23.649 0.2604 3.2720
47.298 1.9203 5.8 (11,1,3) 23.649 0.2604 3.2720
47.415 1.9158 2.8 ( 0 2 6) 23.708 0.2610 3.2796
47.598 1.9089 1.0 (-9 3 3) 23.799 0.2619 3.2915
47.750 1.9032 2.0 ( 8 2 4) 23.875 0.2627 3.3014
47.750 1.9032 2.0 (-4 4 2) 23.875 0.2627 3.3014
47.848 1.8995 1.3 ( 7 3 3) 23.924 0.2632 3.3078
47.948 1.8958 1.0 (-11,1,5) 23.974 0.2637 3.3143
47.948 1.8958 1.0 (-1 3 5) 23.974 0.2637 3.3143
48.114 1.8896 1.4 (12,2,1) 24.057 0.2646 3.3251
48.114 1.8896 1.4 (-3 3 5) 24.057 0.2646 3.3251
48.453 1.8772 1.9 (10,2,3) 24.226 0.2664 3.3471
48.453 1.8772 1.9 ( 5 3 4) 24.226 0.2664 3.3471
48.927 1.8601 3.4 (-6 4 1) 24.463 0.2688 3.3778
48.927 1.8601 3.4 ( 9 3 2) 24.463 0.2688 3.3778
49.162 1.8518 1.8 (-2 4 3) 24.581 0.2700 3.3931
49.162 1.8518 1.8 ( 0 4 3) 24.581 0.2700 3.3931
49.244 1.8489 1.9 ( 5 1 6) 24.622 0.2704 3.3984
49.244 1.8489 1.9 ( 4 4 2) 24.622 0.2704 3.3984
49.362 1.8447 1.2 (-10,0,6) 24.681 0.2710 3.4061
49.514 1.8394 1.7 (-13,1,4) 24.757 0.2718 3.4159
49.514 1.8394 1.7 (-3 1 7) 24.757 0.2718 3.4159
49.850 1.8278 1.4 (-11,3,1) 24.925 0.2736 3.4376
49.850 1.8278 1.4 ( 6 0 6) 24.925 0.2736 3.4376
49.980 1.8234 3.9 ( 6 4 1) 24.990 0.2742 3.4459
49.980 1.8234 3.9 (-6 4 2) 24.990 0.2742 3.4459
50.105 1.8191 2.0 (-4 4 3) 25.053 0.2749 3.4540
50.105 1.8191 2.0 (13,1,2) 25.053 0.2749 3.4540
50.297 1.8126 0.8 (-5 1 7) 25.148 0.2758 3.4664
50.297 1.8126 0.8 (11,3,0) 25.148 0.2758 3.4664
50.452 1.8074 1.1 (-9 3 4) 25.226 0.2766 3.4764
50.452 1.8074 1.1 (-11,3,2) 25.226 0.2766 3.4764
50.770 1.7968 4.1 (12,2,2) 25.385 0.2783 3.4968
50.770 1.7968 4.1 ( 3 3 5) 25.385 0.2783 3.4968
51.201 1.7827 1.4 (-14,0,4) 25.601 0.2805 3.5246
51.201 1.7827 1.4 (-8 2 6) 25.601 0.2805 3.5246
51.322 1.7788 3.0 (-7 3 5) 25.661 0.2811 3.5323
51.564 1.7710 0.9 ( 4 2 6) 25.782 0.2823 3.5478
51.770 1.7644 1.6 (11,3,1) 25.885 0.2834 3.5610
51.770 1.7644 1.6 ( 9 1 5) 25.885 0.2834 3.5610
51.879 1.7610 3.9 (-15,1,1) 25.939 0.2839 3.5680
52.075 1.7548 4.1 (-11,3,3) 26.038 0.2849 3.5806
52.075 1.7548 4.1 ( 7 3 4) 26.038 0.2849 3.5806
52.190 1.7512 2.5 (-8 4 1) 26.095 0.2855 3.5879
52.190 1.7512 2.5 ( 4 4 3) 26.095 0.2855 3.5879
52.293 1.7480 2.8 (14,0,2) 26.147 0.2860 3.5945
52.293 1.7480 2.8 (-14,2,1) 26.147 0.2860 3.5945
52.368 1.7457 3.0 ( 8 4 0) 26.184 0.2864 3.5993
52.368 1.7457 3.0 ( 9 3 3) 26.184 0.2864 3.5993
52.586 1.7390 1.5 (-2 4 4) 26.293 0.2875 3.6132
52.586 1.7390 1.5 (-14,2,2) 26.293 0.2875 3.6132
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