求助CdTe，ZnTe，CdS, ZnS的xrd卡片，谢谢 - 晶体 - 粉末晶体 - 第2页小木虫论坛-学术科研互动平台

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linhua0402313: 金币+1 2012-05-29 10:03:16

PDF#41-1049: QM=Star(S); d=(Unknown); I=(Unknown)
Greenockite, syn
Cd S Yellow
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration=Internal(Si) 2T=24.807-141.219 I/Ic(RIR)=
Ref: Razik, N.
J. Mater. Sci. Lett., v6 p1443 (1987)
Hexagonal - Powder Diffraction,  P63mc (186) Z=2 mp=
CELL: 4.14092 x 4.14092 x 6.7198 <90.0 x 90.0 x 120.0> P.S=hP4 (S Zn)
Density(c)=4.808 Density(m)=4.820 Mwt=144.47 Vol=99.79 F(30)=316.9(.0024,40/0)
Ref: Ibid.

Strong Lines: 3.16/X 3.36/9 3.59/6 1.90/5 2.07/5 1.76/3 2.45/3 1.73/2 1.40/2 1.16/1
NOTE:  To replace 00-001-0780 and 00-006-0314.
See ICSD 31074 (PDF 01-075-1545); ICSD 60629 (PDF 01-077-2306).
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
24.807 3.5861 55.0 ( 1 0 0) 12.404 0.1394 1.7521
26.507 3.3599 86.0 ( 0 0 2) 13.253 0.1488 1.8701
28.182 3.1638 100.0 ( 1 0 1) 14.091 0.1580 1.9860
36.620 2.4519 37.0 ( 1 0 2) 18.310 0.2039 2.5626
43.681 2.0705 73.0 ( 1 1 0) 21.841 0.2415 3.0346
47.839 1.8998 83.0 ( 1 0 3) 23.920 0.2632 3.3073
50.882 1.7931 14.0 ( 2 0 0) 25.441 0.2788 3.5041
51.824 1.7627 56.0 ( 1 1 2) 25.912 0.2837 3.5645
52.796 1.7325 27.0 ( 2 0 1) 26.398 0.2886 3.6267
54.584 1.6799 9.0 ( 0 0 4) 27.292 0.2976 3.7402
58.278 1.5819 6.0 ( 2 0 2) 29.139 0.3161 3.9719
60.839 1.5213 6.0 ( 1 0 4) 30.420 0.3287 4.1301
66.772 1.3998 34.0 ( 2 0 3) 33.386 0.3572 4.4886
69.264 1.3554 12.0 ( 2 1 0) 34.632 0.3689 4.6357
70.862 1.3287 19.0 ( 2 1 1) 35.431 0.3763 4.7288
72.382 1.3045 10.0 ( 1 1 4) 36.191 0.3833 4.8165
75.477 1.2585 23.0 ( 1 0 5) 37.739 0.3973 4.9926
77.855 1.2259 5.0 ( 2 0 4) 38.928 0.4079 5.1254
80.237 1.1954 24.0 ( 3 0 0) 40.118 0.4183 5.2561
83.252 1.1596 38.0 ( 2 1 3) 41.626 0.4312 5.4184
86.308 1.1262 20.0 ( 3 0 2) 43.154 0.4440 5.5791
91.495 1.0754 24.0 ( 2 0 5) 45.748 0.4649 5.8426
96.162 1.0352 9.0 ( 2 2 0) 48.081 0.4830 6.0695
102.267 0.9893 16.0 ( 2 2 2) 51.134 0.5054 6.3511
102.875 0.9851 19.0 ( 1 1 6) 51.438 0.5076 6.3782
104.529 0.9740 6.0 ( 3 0 4) 52.264 0.5133 6.4509
107.640 0.9543 30.0 ( 2 1 5) 53.820 0.5239 6.5841
112.335 0.9273 14.0 ( 1 0 7) 56.168 0.5392 6.7758
115.858 0.9090 24.0 ( 3 1 3) 57.929 0.5501 6.9122
118.456 0.8965 11.0 ( 4 0 0) 59.228 0.5577 7.0086
120.166 0.8887 7.0 ( 4 0 1) 60.083 0.5626 7.0701
126.289 0.8634 7.0 ( 2 1 6) 63.144 0.5791 7.2773
135.483 0.8323 15.0 ( 4 0 3) 67.741 0.6007 7.5492
141.219 0.8166 15.0 ( 3 2 1) 70.609 0.6123 7.6943

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11楼2012-05-29 09:31:44

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linhua0402313: , 谢谢回帖应助，实在是辛苦了 2012-05-29 10:03:51

PDF#10-0454: QM=Blank(B); d=Other/Unknown(57.54mm); I=Film/Visual
Hawleyite
Cd S Yellow
Radiation=CuKa Lambda=1.5418 Filter=Ni
Calibration= 2T=26.506-141.863 I/Ic(RIR)=13.0
Ref: Traill, R., Boyle, R.
Am. Mineral., v40 p555 (1955)
Cubic - Powder Diffraction, F-43m (216) Z=4 mp=
CELL: 5.818 x 5.818 x 5.818 <90.0 x 90.0 x 90.0> P.S=cF8 (S Zn)
Density(c)=4.870 Density(m)=5.58A Mwt=144.47 Vol=196.93 F(15)=8.8(0.100,17/0)
Ref: Ibid.

Strong Lines: 3.36/X 2.06/8 1.75/6 2.90/4 1.34/3 1.19/3 1.12/3 1.45/2 0.99/2 1.68/1
NOTE: Specimen from Hector-Calumnet mine Galena Hill, Keno Hill, Yukon, Canada.
To replace 00-001-0647 and 00-002-0454 and validated by calculated pattern 00-042-1411.
See ICSD 29278 (PDF 01-075-0581).
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
26.506 3.3600 77.0 ( 1 1 1) 13.253 0.1488 1.8700 3
30.807 2.9000 35.0 ( 2 0 0) 15.403 0.1724 2.1666 4
43.960 2.0580 100.0 ( 2 2 0) 21.980 0.2430 3.0531 8
52.132 1.7530 88.0 ( 3 1 1) 26.066 0.2852 3.5842 11
54.581 1.6800 15.0 ( 2 2 2) 27.290 0.2976 3.7400 12
64.029 1.4530 35.0 ( 4 0 0) 32.014 0.3441 4.3243 16
70.357 1.3370 58.0 ( 3 3 1) 35.178 0.3740 4.6995 19
72.802 1.2980 20.0 ( 4 2 0) 36.401 0.3852 4.8407 20
81.004 1.1860 65.0 ( 4 2 2) 40.502 0.4216 5.2978 24
86.905 1.1200 69.0 ( 5 1 1) 43.452 0.4464 5.6100 27
97.059 1.0280 13.0 ( 4 4 0) 48.530 0.4864 6.1120 32
102.890 0.9850 52.0 ( 5 3 1) 51.445 0.5076 6.3789 35
113.991 0.9185 14.0 ( 6 2 0) 56.996 0.5444 6.8407 40
120.549 0.8870 15.0 ( 5 3 3) 60.274 0.5637 7.0836 43
141.863 0.8150 32.0 ( 7 1 1) 70.932 0.6135 7.7094 51

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12楼2012-05-29 09:31:57

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linhua0402313: , 谢谢回帖应助，实在是辛苦了 2012-05-29 10:03:57

PDF#05-0566: QM=Indexed(I); d=(Unknown); I=Diffractometer
Sphalerite, syn
Zn S White, yellow white
Radiation=CuKa1 Lambda=1.5405 Filter=Ni
Calibration= 2T=28.558-138.247 I/Ic(RIR)=3.90
Ref: Swanson, Fuyat.
Natl. Bur. Stand. (U.S.), Circ. 539, vII p16 (1953)
Cubic - Powder Diffraction, F-43m (216) Z=4 mp=
CELL: 5.406 x 5.406 x 5.406 <90.0 x 90.0 x 90.0> P.S=cF8 (S Zn)
Density(c)=4.096 Density(m)=3.900 Mwt=97.44 Vol=157.99 F(14)=43.7(0.021,15/0)
Ref: Ibid.

Strong Lines: 3.12/X 1.91/5 1.63/3 2.71/1 1.24/1 1.10/1 1.35/1 1.04/1 0.91/1 0.96/1
NOTE: Prepared at 940 C by RCA Laboratory.
Spectroscopic analysis: <0.1% Cu; <0.01% B, Fe, Mg, Si; <0.001% Al, Ca.
Pattern taken at 26 C.
See 00-024-1137 for cadmium substitution.
Opaque mineral optical data on specimen from Snailsbeach, Minsterly, Shropshire, England: RR2Re=16.7, Disp.=16, VHN100=218-227, Color values .303, .309, 16.6, Ref.: IMA Commission on Ore Microscopy QDF.
See ICSD 60378 (PDF 01-077-2100).
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
28.558 3.1230 100.0 ( 1 1 1) 14.279 0.1601 2.0119 3
33.089 2.7050 12.0 ( 2 0 0) 16.545 0.1848 2.3228 4
47.515 1.9120 83.0 ( 2 2 0) 23.757 0.2615 3.2862 8
56.289 1.6330 57.0 ( 3 1 1) 28.144 0.3062 3.8476 11
59.136 1.5610 4.0 ( 2 2 2) 29.568 0.3203 4.0251 12
69.522 1.3510 14.0 ( 4 0 0) 34.761 0.3701 4.6508 16
76.807 1.2400 23.0 ( 3 3 1) 38.403 0.4032 5.0671 19
79.155 1.2090 5.0 ( 4 2 0) 39.578 0.4136 5.1970 20
88.549 1.1034 25.0 ( 4 2 2) 44.275 0.4531 5.6944 24
95.538 1.0403 15.0 ( 5 1 1) 47.769 0.4806 6.0398 27
107.411 0.9557 10.0 ( 4 4 0) 53.705 0.5232 6.5744 32
114.904 0.9138 17.0 ( 5 3 1) 57.452 0.5472 6.8759 35
128.612 0.8548 11.0 ( 6 2 0) 64.306 0.5849 7.3505 40
138.247 0.8244 8.0 ( 5 3 3) 69.124 0.6065 7.6215 43

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linhua0402313: , 谢谢回帖应助，实在是辛苦了 2012-05-29 10:04:02

PDF#12-0688: QM=Blank(B); d=Debye-Scherrer(114.6mm); I=(Unknown)
Wurtzite-10H
Zn S Brownish black
Radiation=CuKa Lambda=1.5418 Filter=
Calibration= 2T=26.914-114.865 I/Ic(RIR)=
Ref: Evans, H., McKnight, E.
Am. Mineral., v44 p1210 (1959)
Hexagonal - Powder Diffraction,  P63mc (186) Z=10 mp=
CELL: 3.82 x 3.82 x 31.2 <90.0 x 90.0 x 120.0> P.S=hP20 (S Zn)
Density(c)=4.103 Density(m)=4.040 Mwt=97.44 Vol=394.29 F(30)=1.6(0.125,147/1)
Ref: Ibid.

Strong Lines: 3.12/X 1.90/5 1.63/4 3.26/1 2.93/1 1.10/1 0.91/1 3.20/1 3.09/1 3.05/1
NOTE:  1 Sphalerite reflections.
Specimen from Zig Zag mine, Joplin, Missouri, USA.
Analysis gives 1.4% Fe.
$Reflections from 8H polytype, see 00-039-1363.
See ICSD 15477 (PDF 01-072-0162).
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
26.914 3.3100 2.0 ( 1 0 0) 13.457 0.1511 1.8982
27.334 3.2600 6.0 ( 1 0 2) 13.667 0.1534 1.9274
27.857 3.2000 4.0      13.929 0.1563 1.9635
28.217 3.1600 2.0 ( 1 0 3) 14.109 0.1582 1.9883
28.586 3.1200 100.0 ( 0 0 10) 14.293 0.1603 2.0138
28.870 3.0900 4.0      14.435 0.1618 2.0334
29.257 3.0500 4.0 ( 1 0 4) 14.629 0.1639 2.0601
30.484 2.9300 6.0 ( 1 0 5) 15.242 0.1706 2.1444
31.819 2.8100 2.0 ( 1 0 6) 15.910 0.1779 2.2360
32.411 2.7600 2.0      16.206 0.1812 2.2765
33.026 2.7100 5.0      16.513 0.1845 2.3185
33.665 2.6600 2.0 ( 1 0 7) 16.833 0.1880 2.3621
34.330 2.6100 2.0      17.165 0.1916 2.4074
35.597 2.5200 2.0 ( 1 0 8) 17.798 0.1984 2.4933
36.040 2.4900 3.0      18.020 0.2008 2.5234
43.472 2.0800 3.0 ( 1 0 12) 21.736 0.2404 3.0208
45.862 1.9770 3.0      22.931 0.2529 3.1781
46.865 1.9370 3.0 ( 1 0 13) 23.432 0.2581 3.2438
47.727 1.9040 82.0 ( 1 1 0) 23.863 0.2626 3.3000
48.623 1.8710 3.0      24.311 0.2672 3.3582
49.468 1.8410 3.0 ( 1 0 14) 24.734 0.2716 3.4129
52.036 1.7560 7.0 ( 1 0 15) 26.018 0.2847 3.5781
54.651 1.6780 4.0 ( 1 0 16) 27.326 0.2980 3.7444
55.695 1.6490 4.0 ( 2 0 2) 27.847 0.3032 3.8103
56.553 1.6260 67.0 ( 1 1 10) 28.276 0.3075 3.8642
57.636 1.5980 4.0 ( 2 0 5) 28.818 0.3129 3.9319
58.681 1.5720 4.0 ( 2 0 6) 29.341 0.3181 3.9969
59.261 1.5580 4.0 ( 0 0 20) 29.630 0.3209 4.0329
69.581 1.3500 5.0 ( 1 0 21) 34.791 0.3704 4.6542
73.064 1.2940 5.0 ( 2 0 15) 36.532 0.3864 4.8556
76.880 1.2390 10.0 ( 2 1 3) 38.440 0.4036 5.0712
79.312 1.2070 5.0 ( 1 1 20) 39.656 0.4143 5.2056
82.521 1.1680 5.0 ( 1 0 25) 41.261 0.4281 5.3794
88.590 1.1030 17.0 ( 3 0 0) 44.295 0.4533 5.6965
91.980 1.0710 6.0 ( 3 0 7) 45.990 0.4669 5.8667
95.696 1.0390 12.0 ( 3 0 10) 47.848 0.4812 6.0473
107.525 0.9550 13.0 ( 2 2 0) 53.763 0.5236 6.5793
114.865 0.9140 20.0 ( 1 1 30) 57.432 0.5470 6.8744

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14楼2012-05-29 09:33:26

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linhua0402313: , 谢谢回帖应助，实在是辛苦了 2012-05-29 10:04:07

PDF#36-1450: QM=Star(S); d=Diffractometer; I=Diffractometer
Wurtzite-2H, syn
Zn S Colorless
Radiation=CuKa1 Lambda=1.5405981 Filter=Graph
Calibration=Internal(Ag) 2T=26.914-121.996 I/Ic(RIR)=
Ref: McMurdie, H., Morris, M., Evans, E., Paretzkin, B., Wong-Ng, W., Ettlinger, L., Hubbard, C.
Powder Diffraction, v1 p77 (1986)
Hexagonal - Powder Diffraction,  P63mc (186) Z=2 mp=
CELL: 3.82098 x 3.82098 x 6.2573 <90.0 x 90.0 x 120.0> P.S=hP4 (S Zn)
Density(c)=4.090 Density(m)=4.090 Mwt=97.44 Vol=79.12 F(30)=160.4(.0055,34/0)
Ref: Ibid.

Strong Lines: 3.31/X 2.93/9 3.13/8 1.91/8 1.76/5 1.63/5 2.27/3 1.30/2 1.07/2 1.60/1
NOTE:  Prepared by RCA Labs.
Optical data on synthetic material.
Previous spectrographic analysis at NBS, Gaithersburg, Maryland, USA, showed (wt.%): 0.01 to 0.1 Cu; 0.001 to 0.01 each B, Fe, Mg, Si and <0.001 each Al and Ca.
A cubic form, sphalerite, also exists.
ZnS exists in many polytypic forms (1,2).
The mean temperature of data collection was 25.5.
To replace 00-005-0492 (3) and 00-010-0434 (4).
Other patterns are cited in (3).
See ICSD 67453 (PDF 01-079-2204).
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
26.914 3.3099 71.0 ( 1 0 0) 13.457 0.1511 1.8983
28.500 3.1292 63.0 ( 0 0 2) 14.250 0.1598 2.0079
30.527 2.9259 70.0 ( 1 0 1) 15.264 0.1709 2.1474
39.610 2.2734 29.0 ( 1 0 2) 19.805 0.2199 2.7638
47.561 1.9103 100.0 ( 1 1 0) 23.780 0.2617 3.2892
51.776 1.7642 72.0 ( 1 0 3) 25.888 0.2834 3.5614
55.500 1.6543 16.0 ( 2 0 0) 27.750 0.3022 3.7980
56.392 1.6303 68.0 ( 1 1 2) 28.196 0.3067 3.8541
57.579 1.5994 18.0 ( 2 0 1) 28.790 0.3126 3.9284
59.006 1.5641 3.0 ( 0 0 4) 29.503 0.3197 4.0171
63.557 1.4626 10.0 ( 2 0 2) 31.779 0.3418 4.2958
66.001 1.4143 <1 ( 1 0 4) 33.001 0.3535 4.4427
72.930 1.2960 27.0 ( 2 0 3) 36.465 0.3858 4.8480
76.036 1.2506 11.0 ( 2 1 0) 38.018 0.3998 5.0240
77.820 1.2264 17.0 ( 2 1 1) 38.910 0.4077 5.1234
79.052 1.2103 4.0 ( 1 1 4) 39.526 0.4131 5.1913
82.297 1.1706 22.0 ( 1 0 5) 41.148 0.4271 5.3674
83.095 1.1614 12.0 ( 2 1 2) 41.547 0.4305 5.4101
88.580 1.1031 19.0 ( 3 0 0) 44.290 0.4533 5.6960
91.796 1.0727 33.0 ( 2 1 3) 45.898 0.4661 5.8576
95.232 1.0428 7.0 ( 0 0 6) 47.616 0.4795 6.0251
95.540 1.0403 23.0 ( 3 0 2) 47.770 0.4806 6.0399
101.010 0.9982 17.0 ( 2 0 5) 50.505 0.5009 6.2946
101.504 0.9947 5.0 ( 1 0 6) 50.752 0.5027 6.3169
107.481 0.9553 12.0 ( 2 2 0) 53.741 0.5234 6.5774
114.135 0.9178 5.0 ( 3 1 0) 57.067 0.5448 6.8463
114.597 0.9154 13.0 ( 1 1 6) 57.298 0.5462 6.8641
114.956 0.9135 15.0 ( 2 2 2) 57.478 0.5473 6.8779
116.047 0.9081 5.0 ( 3 1 1) 58.024 0.5506 6.9193
117.408 0.9014 <1 ( 3 0 4) 58.704 0.5547 6.9701
121.084 0.8847 21.0 ( 2 1 5) 60.542 0.5652 7.1024
121.996 0.8807 8.0 ( 3 1 2) 60.998 0.5677 7.1341

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15楼2012-05-29 09:33:39

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linhua0402313: , 谢谢回帖应助，实在是辛苦了 2012-05-29 10:04:15

PDF#39-1363: QM=Blank(B); d=Debye-Scherrer(114.6mm); I=(Unknown)
Wurtzite-8H
Zn S Brownish black
Radiation=CuKa Lambda=1.5418 Filter=
Calibration= 2T=26.914-114.865 I/Ic(RIR)=
Ref: Evans, H., McKnight, E.
Am. Mineral., v44 p1210 (1959)
Hexagonal - (Unknown),  P63mc (186) Z=8 mp=
CELL: 3.82 x 3.82 x 24.96 <90.0 x 90.0 x 120.0> P.S=hP16 (S Zn)
Density(c)=4.100 Density(m)=4.040 Mwt=97.44 Vol=315.43 F(26)=2.1(0.108,117/1)
Ref: Ibid.

Strong Lines: 3.12/X 1.90/5 1.63/4 3.26/1 2.93/1 1.10/1 0.91/1 3.20/1 3.09/1 3.05/1
NOTE:  Specimen from Zig Zag mine, Joplin, Missouri, USA.
Analysis reports 1.4% Fe.
1 Sphalerite reflections.
$Reflections from 10H polytype, see 00-012-0688.
Optical data on synthetic sample.
See ICSD 15478 (PDF 01-072-0163).
2-Theta d(?) I(v) ( h k l ) Theta 1/(2d) 2pi/d n^2
26.914 3.3100 2.0 ( 1 0 0) 13.457 0.1511 1.8982
27.334 3.2600 6.0      13.667 0.1534 1.9274
27.857 3.2000 4.0 ( 1 0 2) 13.929 0.1563 1.9635
28.217 3.1600 2.0      14.109 0.1582 1.9883
28.586 3.1200 100.0 ( 0 0 8) 14.293 0.1603 2.0138
28.870 3.0900 4.0 ( 1 0 3) 14.435 0.1618 2.0334
29.257 3.0500 4.0      14.629 0.1639 2.0601
30.484 2.9300 6.0 ( 1 0 4) 15.242 0.1706 2.1444
31.819 2.8100 2.0      15.910 0.1779 2.2360
32.411 2.7600 2.0 ( 1 0 5) 16.206 0.1812 2.2765
33.026 2.7100 5.0      16.513 0.1845 2.3185
33.665 2.6600 2.0      16.833 0.1880 2.3621
34.330 2.6100 2.0 ( 1 0 6) 17.165 0.1916 2.4074
35.597 2.5200 2.0      17.798 0.1984 2.4933
36.040 2.4900 3.0 ( 0 0 10) 18.020 0.2008 2.5234
43.472 2.0800 3.0      21.736 0.2404 3.0208
45.862 1.9770 3.0 ( 1 0 10) 22.931 0.2529 3.1781
46.865 1.9370 3.0      23.432 0.2581 3.2438
47.727 1.9040 82.0 ( 1 1 0) 23.863 0.2626 3.3000
48.623 1.8710 3.0 ( 1 0 11) 24.311 0.2672 3.3582
49.468 1.8410 3.0      24.734 0.2716 3.4129
52.036 1.7560 7.0 ( 1 0 12) 26.018 0.2847 3.5781
54.651 1.6780 4.0      27.326 0.2980 3.7444
55.695 1.6490 4.0      27.847 0.3032 3.8103
56.553 1.6260 67.0 ( 1 1 8) 28.276 0.3075 3.8642
57.636 1.5980 4.0 ( 2 0 4) 28.818 0.3129 3.9319
58.681 1.5720 4.0 ( 2 0 5) 29.341 0.3181 3.9969
59.261 1.5580 4.0 ( 0 0 16) 29.630 0.3209 4.0329
69.581 1.3500 5.0 ( 1 0 17) 34.791 0.3704 4.6542
73.064 1.2940 5.0 ( 2 0 12) 36.532 0.3864 4.8556
76.880 1.2390 10.0 ( 2 1 3) 38.440 0.4036 5.0712
79.312 1.2070 5.0 ( 1 1 16) 39.656 0.4143 5.2056
82.521 1.1680 5.0 ( 1 0 20) 41.261 0.4281 5.3794
88.590 1.1030 17.0 ( 3 0 0) 44.295 0.4533 5.6965
91.980 1.0710 6.0 ( 2 1 12) 45.990 0.4669 5.8667
95.696 1.0390 12.0 ( 3 0 8) 47.848 0.4812 6.0473
107.525 0.9550 13.0 ( 2 2 0) 53.763 0.5236 6.5793
114.865 0.9140 20.0 ( 1 1 24) 57.432 0.5470 6.8744

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