Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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CANNIZZARITE
1
(Pb,In)(4)(Bi,Cd)(7)(S,Se)(14)
Monoclinic P 2(1)/m Z = 2
P2(1)/m
20 .4 .15
Ref.Str.:
Borisov S.V., Pervukhina N.V., Magarill S.A., Kuratieva N.V.,
Bryzgalov I.A., Mozgova N N., Chaplygin I.V. (2012)
* Canad. Mineral., 50, 387-395
L: $Pb3.792 Cd0.812 Bi6.188 In0.208 S13.539 Se0.461$
R: locality - Kudriavy Volcano, Iturup Island, Kuriles, Russia.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.4172 alpha = 90.0
b = 4.0582 beta = 98.03
c = 20.8071 gamma = 90.0
Unit cell volume (cub. angs.) = 1289.05
Molar volume ( cub.cm/mol.) = 388.22
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6212 0.75 0.538 0.0 Pb = 0.79, In = 0.21
2 0.8741 0.75 0.236 0.0 Pb = 1.00
3 0.8753 0.75 0.4422 0.0 Pb = 1.00
4 0.1094 0.25 0.168 0.0 Pb = 1.00
5 0.3809 0.75 0.9558 0.0 Bi = 0.76, Cd = 0.24
6 0.3667 0.75 0.2914 0.0 Bi = 0.78, Cd = 0.22
7 0.0901 0.25 0.9571 0.0 Bi = 0.81, Cd = 0.19
8 0.6037 0.75 0.207 0.0 Bi = 1.00
9 0.073 0.25 0.3587 0.0 Bi = 0.84, Cd = 0.16
10 0.6125 0.25 0.3725 0.0 Bi = 1.00
11 0.3758 0.25 0.1244 0.0 Bi = 1.00
12 0.7197 0.25 0.4865 0.0 S = 1.00
13 0.4867 0.25 0.2482 0.0 S = 1.00
14 0.0871 0.75 0.057 0.0 S = 1.00
15 0.284 0.25 0.9983 0.0 S = 1.00
16 0.7077 0.25 0.1687 0.0 S = 1.00
17 0.7059 0.75 0.3264 0.0 S = 0.83, Se = 0.17
18 0.2699 0.25 0.3375 0.0 S = 0.71, Se = 0.29
19 0.275 0.75 0.1711 0.0 S = 1.00
20 0.0606 0.75 0.4518 0.0 S = 1.00
21 0.0595 0.75 0.2598 0.0 S = 1.00
22 0.4957 0.75 0.4182 0.0 S = 1.00
23 0.494 0.75 0.0832 0.0 S = 1.00
24 0.8994 0.25 0.3408 0.0 S = 1.00
25 0.9257 0.25 0.138 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6212 0.75 0.538
2 2 0.8741 0.75 0.236
3 3 0.8753 0.75 0.4422
4 4 0.1094 0.25 0.168
5 5 0.3809 0.75 0.9558
6 6 0.3667 0.75 0.2914
7 7 0.0901 0.25 0.9571
8 8 0.6037 0.75 0.207
9 9 0.073 0.25 0.3587
10 10 0.6125 0.25 0.3725
11 11 0.3758 0.25 0.1244
12 12 0.7197 0.25 0.4865
13 13 0.4867 0.25 0.2482
14 14 0.0871 0.75 0.057
15 15 0.284 0.25 0.9983
16 16 0.7077 0.25 0.1687
17 17 0.7059 0.75 0.3264
18 18 0.2699 0.25 0.3375
19 19 0.275 0.75 0.1711
20 20 0.0606 0.75 0.4518
21 21 0.0595 0.75 0.2598
22 22 0.4957 0.75 0.4182
23 23 0.494 0.75 0.0832
24 24 0.8994 0.25 0.3408
25 25 0.9257 0.25 0.138
26 1 0.3788 0.25 0.462
27 2 0.1259 0.25 0.764
28 3 0.1247 0.25 0.5578
29 4 0.8906 0.75 0.832
30 5 0.6191 0.25 0.0442
31 6 0.6333 0.25 0.7086
32 7 0.9099 0.75 0.0429
33 8 0.3963 0.25 0.793
34 9 0.927 0.75 0.6413
35 10 0.3875 0.75 0.6275
36 11 0.6242 0.75 0.8756
37 12 0.2803 0.75 0.5135
38 13 0.5133 0.75 0.7518
39 14 0.9129 0.25 0.943
40 15 0.716 0.75 0.0017
41 16 0.2923 0.75 0.8313
42 17 0.2941 0.25 0.6736
43 18 0.7301 0.75 0.6625
44 19 0.725 0.25 0.8289
45 20 0.9394 0.25 0.5482
46 21 0.9405 0.25 0.7402
47 22 0.5043 0.25 0.5818
48 23 0.506 0.25 0.9168
49 24 0.1006 0.75 0.6592
50 25 0.0743 0.75 0.862
X-ray density (g/cm cub.) = 6.86
MU (1/cm) = 2094.788 Mass attenuation coefficient (cm**2/g) = 305.252
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,In 3.876 6
2.8331 12
2.8331 12
2.9342 22
2.8834 18
2.9419 22
2.9419 22
2 Pb 3.828 8
3.4141 16
3.4141 16
3.4096 17
2.8319 21
2.9642 24
2.9642 24
3.0596 25
3.0596 25
3 Pb 3.828 8
3.3674 12
3.3674 12
3.2967 17
2.8358 20
2.9876 24
2.9876 24
3.0577 20
3.0577 20
4 Pb 3.828 7
3.0574 14
3.0574 14
3.2548 19
3.2548 19
2.9611 21
2.9611 21
2.8137 25
5 Bi ,Cd 3.756 6
2.7386 15
2.7386 15
2.9624 23
2.7546 16
2.9888 23
2.9888 23
6 Bi ,Cd 3.756 6
2.9686 13
2.9686 13
2.7685 18
2.7685 18
2.6973 19
3.0741 22
7 Bi ,Cd 3.756 6
2.9098 14
2.9098 14
2.9925 15
2.7066 14
2.8209 25
2.8209 25
8 Bi 3.756 6
2.922 13
2.922 13
2.7713 16
2.7713 16
2.7497 17
2.8772 23
9 Bi ,Cd 3.756 6
3.1279 18
2.8302 20
2.8302 20
2.8767 21
2.8767 21
2.6502 24
10 Bi 3.756 6
2.6949 12
3.0082 13
2.738 17
2.738 17
2.9568 22
2.9568 22
11 Bi 3.756 6
2.8858 13
2.8017 15
2.8104 19
2.8104 19
2.9342 23
2.9342 23
12 S 4.5 11
4.0582 12
4.0582 12
3.8809 17
3.8809 17
4.0856 22
4.0856 22
4.3833 24
4.1701 18
4.1701 18
3.4505 20
4.0988 22
13 S 4.5 12
4.0582 13
4.0582 13
3.99 16
4.0803 17
4.0803 17
4.0447 18
3.985 19
3.985 19
4.0634 22
4.0634 22
4.0031 23
4.0031 23
14 S 4.5 11
4.0582 14
4.0582 14
3.9825 15
3.9825 15
3.4795 19
4.2998 21
3.7844 25
3.7844 25
3.8957 14
3.8957 14
4.0345 25
15 S 4.5 13
3.9825 14
3.9825 14
4.0582 15
4.0582 15
4.1477 19
4.1477 19
4.0152 23
4.0152 23
4.0413 16
4.0413 16
4.0264 23
4.4778 25
4.4778 25
16 S 4.5 11
3.99 13
4.0582 16
4.0582 16
3.8614 17
3.8614 17
4.0619 23
4.0619 23
4.3128 24
3.5077 25
4.0413 15
4.0413 15
17 S ,Se 4.632 11
3.8809 12
3.8809 12
4.0803 13
4.0803 13
3.8614 16
3.8614 16
4.0582 17
4.0582 17
3.985 22
3.5857 24
3.5857 24
18 S ,Se 4.632 11
4.0447 13
4.0582 18
4.0582 18
4.0233 19
4.0233 19
3.9734 21
3.9734 21
4.174 22
4.174 22
4.1701 12
4.1701 12
19 S 4.5 11
3.985 13
3.985 13
3.4795 14
4.1477 15
4.1477 15
4.0233 18
4.0233 18
4.0582 19
4.0582 19
4.0197 21
4.0584 23
20 S 4.5 9
4.0582 20
4.0582 20
3.9926 21
3.7449 24
3.7449 24
3.4505 12
3.5608 20
3.5608 20
4.2731 24
21 S 4.5 11
4.2998 14
3.9734 18
3.9734 18
4.0197 19
3.9926 20
4.0582 21
4.0582 21
3.77 24
3.77 24
3.6516 25
3.6516 25
22 S 4.5 12
4.0856 12
4.0856 12
4.0634 13
4.0634 13
3.985 17
4.174 18
4.174 18
4.0582 22
4.0582 22
4.0988 12
3.9492 22
3.9492 22
23 S 4.5 12
4.0031 13
4.0031 13
4.0152 15
4.0152 15
4.0619 16
4.0619 16
4.0584 19
4.0582 23
4.0582 23
4.0264 15
4.0396 23
4.0396 23
24 S 4.5 12
4.3833 12
4.3128 16
3.5857 17
3.5857 17
3.7449 20
3.7449 20
3.77 21
3.77 21
4.0582 24
4.0582 24
4.2951 25
4.2731 20
25 S 4.5 11
3.7844 14
3.7844 14
3.5077 16
3.6516 21
3.6516 21
4.2951 24
4.0582 25
4.0582 25
4.0346 14
4.4778 15
4.4778 15
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 0 1 2.488 4.976 0.024 1058.14 2 10.6 14.4
2 1 0 0 3.359 6.718 0.033 579.59 2 65.4 298.6
3 1 0 -1 3.892 7.784 0.038 431.13 2 27.4 39.1
4 1 0 1 4.453 8.906 0.043 328.77 2 19.8 15.4
5 0 0 2 4.981 9.962 0.049 262.3 2 50.7 81.1
6 1 0 -2 5.608 11.217 0.055 206.44 2 61.7 94.6
7 1 0 2 6.392 12.784 0.062 158.41 2 48.1 44.1
8 2 0 0 6.73 13.459 0.066 142.68 2 251.6 1086.7
9 2 0 -1 6.843 13.685 0.067 137.93 2 20.3 6.8
10 0 0 3 7.484 14.967 0.073 114.95 2 38.9 20.9
11 2 0 1 7.5 15.0 0.073 114.43 2 32.7 14.7
12 1 0 -3 7.767 15.534 0.076 106.56 2 3.2 0.1
13 2 0 -2 7.802 15.604 0.076 105.58 2 26.1 8.7
14 1 0 3 8.632 17.265 0.084 85.84 2 48.1 23.9
15 2 0 2 8.933 17.867 0.087 80.01 2 19.7 3.7
16 2 0 -3 9.356 18.713 0.091 72.74 2 15.1 2.0
17 0 0 4 10.0 20.001 0.097 63.4 2 4.5 0.2
18 3 0 -1 10.083 20.165 0.098 62.34 2 25.1 4.7
19 1 0 -4 10.099 20.198 0.098 62.13 2 41.1 12.6
20 3 0 0 10.124 20.248 0.098 61.82 2 301.0 674.0
21 3 0 -2 10.653 21.305 0.103 55.62 2 25.6 4.4
22 3 0 1 10.769 21.538 0.104 54.38 2 53.3 18.6
23 2 0 3 10.776 21.553 0.105 54.31 2 73.3 35.1
24 1 0 4 11.004 22.007 0.107 52.0 2 13.6 1.2
25 2 0 -4 11.271 22.542 0.109 49.46 2 64.3 24.6
26 3 0 -3 11.749 23.498 0.114 45.35 2 154.2 129.7
27 3 0 2 11.926 23.851 0.116 43.96 2 55.6 16.3
28 1 0 -5 12.521 25.041 0.121 39.69 2 214.6 220.0
29 0 0 5 12.537 25.074 0.121 39.58 2 197.1 185.0
30 2 0 4 12.865 25.73 0.124 37.48 2 58.3 15.4
31 0 1 1 12.982 25.964 0.126 36.77 4 10.0 0.9
32 1 1 0 13.183 26.366 0.127 35.6 4 402.6 1388.7
33 3 0 -4 13.249 26.498 0.128 35.23 2 154.2 100.9
34 1 1 -1 13.334 26.667 0.129 34.75 4 22.1 4.1
35 2 0 -5 13.405 26.809 0.13 34.36 2 450.4 839.0
36 4 0 -1 13.433 26.867 0.13 34.21 2 219.7 198.7
37 1 0 5 13.451 26.901 0.13 34.12 2 525.5 1133.9
38 3 0 3 13.47 26.939 0.13 34.01 2 174.4 124.5
39 1 1 1 13.514 27.028 0.131 33.78 4 12.8 1.3
40 4 0 0 13.554 27.109 0.131 33.57 2 1246.1 6273.8
41 0 1 2 13.703 27.407 0.132 32.8 4 15.4 1.9
42 4 0 -2 13.785 27.571 0.133 32.38 2 128.5 64.4
43 1 1 -2 13.952 27.903 0.135 31.57 4 0.0 0.0
44 4 0 1 14.137 28.274 0.137 30.69 2 268.8 267.0
45 1 1 2 14.296 28.592 0.138 29.97 4 28.6 5.9
46 2 1 0 14.455 28.91 0.14 29.27 4 557.1 2186.9
47 2 1 -1 14.51 29.02 0.14 29.04 4 86.1 51.9
48 4 0 -3 14.579 29.158 0.141 28.74 2 93.1 30.0
49 0 1 3 14.834 29.667 0.143 27.7 4 504.6 1697.6
50 2 1 1 14.842 29.685 0.143 27.67 4 31.9 6.8
51 1 1 -3 14.984 29.967 0.145 27.11 4 61.9 25.0
52 2 1 -2 15.002 30.005 0.145 27.04 4 81.6 43.3
53 1 0 -6 15.004 30.008 0.145 27.03 2 483.7 761.4
54 3 0 -5 15.042 30.084 0.145 26.88 2 612.5 1213.9
55 0 0 6 15.099 30.198 0.146 26.67 2 110.9 39.5
56 2 0 5 15.111 30.222 0.146 26.62 2 648.4 1347.2
57 4 0 2 15.133 30.266 0.146 26.54 2 183.3 107.4
58 3 0 4 15.295 30.589 0.147 25.94 2 67.2 14.1
59 1 1 3 15.466 30.931 0.149 25.33 4 703.4 3016.5
60 2 1 2 15.642 31.283 0.151 24.72 4 130.0 100.6
61 2 0 -6 15.681 31.363 0.151 24.58 2 697.5 1439.7
62 4 0 -4 15.754 31.507 0.152 24.34 2 157.7 72.9
63 2 1 -3 15.895 31.791 0.153 23.88 4 502.5 1451.3
64 1 0 6 15.954 31.908 0.154 23.69 2 572.7 935.1
65 0 1 4 16.296 32.592 0.157 22.63 4 31.4 5.4
66 3 1 -1 16.348 32.697 0.157 22.47 4 58.4 18.5
67 1 1 -4 16.359 32.717 0.157 22.44 4 87.1 41.0
68 3 1 0 16.375 32.749 0.158 22.39 4 510.7 1405.8
69 4 0 3 16.474 32.948 0.159 22.1 2 205.3 112.1
70 3 1 -2 16.718 33.436 0.161 21.4 4 5.0 0.1
71 3 1 1 16.795 33.591 0.162 21.19 4 143.0 104.3
72 2 1 3 16.8 33.6 0.162 21.18 4 409.7 855.9
73 5 0 -1 16.864 33.727 0.162 21.01 2 61.1 9.4
74 1 1 4 16.952 33.904 0.163 20.77 4 1.6 0.0
75 5 0 0 17.035 34.07 0.164 20.55 2 174.2 75.1
76 3 0 -6 17.048 34.097 0.164 20.51 2 393.0 381.3
77 5 0 -2 17.079 34.158 0.164 20.43 2 254.6 159.4
78 2 1 -4 17.133 34.266 0.165 20.29 4 18.4 1.6
79 4 0 -5 17.239 34.479 0.166 20.02 2 324.8 254.2
80 3 0 5 17.325 34.65 0.166 19.81 2 208.8 104.0
81 3 1 -3 17.462 34.924 0.168 19.47 4 1037.3 5042.5
82 2 0 6 17.469 34.938 0.168 19.45 2 984.1 2267.4
83 1 0 -7 17.539 35.077 0.168 19.28 2 2.2 0.0
84 5 0 1 17.584 35.167 0.169 19.18 2 157.2 57.0
85 3 1 2 17.585 35.171 0.169 19.17 4 88.9 36.5
86 5 0 -3 17.669 35.339 0.17 18.97 2 13.6 0.4
87 0 0 7 17.692 35.384 0.17 18.92 2 133.1 40.3
88 1 1 -5 18.008 36.017 0.173 18.2 4 731.9 2346.8
89 0 1 5 18.02 36.04 0.173 18.17 4 794.0 2758.2
90 2 0 -7 18.063 36.125 0.173 18.08 2 49.4 5.3
91 4 0 4 18.094 36.188 0.174 18.01 2 46.8 4.7
92 2 1 4 18.258 36.516 0.175 17.66 4 44.7 8.5
93 5 0 2 18.48 36.96 0.177 17.19 2 251.2 130.6
94 1 0 7 18.508 37.015 0.177 17.14 2 9.9 0.2
95 3 1 -4 18.54 37.08 0.178 17.07 4 168.0 116.0
96 5 0 -4 18.603 37.206 0.178 16.95 2 92.4 17.4
97 2 1 -5 18.656 37.311 0.179 16.84 4 487.0 961.3
98 4 1 -1 18.677 37.354 0.179 16.8 4 15.3 0.9
99 1 1 5 18.69 37.38 0.179 16.77 4 439.8 780.9
100 3 1 3 18.704 37.408 0.179 16.74 4 129.9 68.0
101 4 1 0 18.767 37.535 0.18 16.62 4 136.1 74.1
102 4 1 -2 18.941 37.882 0.181 16.29 4 256.4 257.7
103 4 0 -6 18.975 37.949 0.182 16.22 2 203.4 80.7
104 4 1 1 19.208 38.415 0.184 15.79 4 61.1 14.2
105 3 0 -7 19.216 38.432 0.184 15.78 2 27.4 1.4
106 3 0 6 19.51 39.021 0.187 15.25 2 863.6 1369.3
107 4 1 -3 19.547 39.094 0.187 15.19 4 892.5 2912.4
108 5 0 3 19.683 39.367 0.188 14.96 2 51.3 4.7
109 5 0 -5 19.839 39.678 0.19 14.7 2 30.2 1.6
110 1 1 -6 19.877 39.754 0.19 14.64 4 34.6 4.2
111 3 1 -5 19.907 39.814 0.19 14.59 4 10.9 0.4
112 2 0 7 19.916 39.832 0.19 14.57 2 210.9 78.0
113 4 0 5 19.936 39.872 0.191 14.54 2 35.1 2.2
114 0 1 6 19.951 39.903 0.191 14.51 4 12.4 0.5
115 2 1 5 19.961 39.922 0.191 14.5 4 36.9 4.8
116 4 1 2 19.978 39.956 0.191 14.47 4 10.8 0.4
117 3 1 4 20.105 40.211 0.192 14.27 4 37.7 4.9
118 1 0 -8 20.124 40.248 0.192 14.24 2 4.8 0.0
119 0 0 8 20.323 40.646 0.194 13.93 2 93.5 14.6
120 6 0 -1 20.374 40.748 0.195 13.85 2 99.1 16.4
121 2 1 -6 20.412 40.823 0.195 13.8 4 30.2 3.0
122 4 1 -4 20.469 40.938 0.195 13.71 4 178.4 105.1
123 6 0 -2 20.496 40.992 0.196 13.67 2 238.7 93.7
124 2 0 -8 20.53 41.059 0.196 13.62 2 83.2 11.4
125 6 0 0 20.582 41.164 0.197 13.54 2 571.5 532.3
126 1 1 6 20.629 41.259 0.197 13.47 4 45.4 6.7
127 4 0 -7 20.91 41.82 0.2 13.07 2 50.1 3.9
128 6 0 -3 20.942 41.885 0.2 13.03 2 52.5 4.3
129 4 1 3 21.049 42.098 0.201 12.88 4 223.5 154.9
130 6 0 1 21.112 42.224 0.201 12.79 2 271.7 113.7
131 1 0 8 21.113 42.225 0.201 12.79 2 150.5 34.9
132 5 0 4 21.151 42.302 0.202 12.74 2 31.2 1.5
133 5 0 -6 21.334 42.668 0.203 12.5 2 359.5 194.4
134 5 1 -1 21.366 42.733 0.204 12.45 4 52.7 8.3
135 5 1 0 21.507 43.014 0.205 12.27 4 115.4 39.3
136 3 0 -8 21.512 43.024 0.205 12.27 2 110.6 18.0
137 3 1 -6 21.518 43.036 0.205 12.26 4 26.5 2.1
138 5 1 -2 21.543 43.086 0.205 12.23 4 20.5 1.2
139 4 1 -5 21.675 43.35 0.206 12.06 4 435.4 550.3
140 6 0 -4 21.698 43.395 0.207 12.03 2 53.3 4.1
141 3 1 5 21.745 43.491 0.207 11.97 4 437.2 550.9
142 3 0 7 21.822 43.644 0.208 11.88 2 3.4 0.0
143 2 1 6 21.865 43.729 0.208 11.83 4 40.6 4.7
144 1 1 -7 21.922 43.845 0.209 11.76 4 35.6 3.6
145 6 0 2 21.944 43.889 0.209 11.73 2 166.8 39.3
146 4 0 6 21.959 43.919 0.209 11.71 2 94.3 12.5
147 5 1 1 21.96 43.92 0.209 11.71 4 33.7 3.2
148 5 1 -3 22.031 44.062 0.21 11.63 4 68.8 13.2
149 0 1 7 22.05 44.099 0.21 11.6 4 9.0 0.2
150 2 1 -7 22.359 44.719 0.213 11.24 4 2.1 0.0
151 4 1 4 22.385 44.771 0.213 11.21 4 213.0 122.5
152 2 0 8 22.442 44.884 0.213 11.15 2 31.8 1.4
153 5 1 2 22.71 45.421 0.216 10.86 4 117.2 35.9
154 1 1 7 22.734 45.467 0.216 10.83 4 17.7 0.8
155 6 0 -5 22.737 45.474 0.216 10.83 2 110.4 15.9
156 1 0 -9 22.763 45.525 0.216 10.8 2 47.4 2.9
157 5 1 -4 22.814 45.628 0.217 10.74 4 261.3 176.6
158 5 0 5 22.844 45.687 0.217 10.71 2 222.6 63.9
159 0 0 9 23.0 45.999 0.218 10.55 2 36.0 1.6
160 4 0 -8 23.011 46.022 0.219 10.54 2 47.7 2.9
161 5 0 -7 23.05 46.1 0.219 10.5 2 170.6 36.8
162 6 0 3 23.054 46.107 0.219 10.49 2 95.2 11.4
163 2 0 -9 23.074 46.149 0.219 10.47 2 152.9 29.5
164 4 1 -6 23.13 46.259 0.22 10.42 4 120.9 36.6
165 3 1 -7 23.335 46.671 0.221 10.21 4 0.8 0.0
166 3 1 6 23.588 47.175 0.224 9.96 4 84.7 17.2
167 5 1 3 23.736 47.473 0.225 9.82 4 1135.2 3047.2
168 1 0 9 23.773 47.545 0.225 9.79 2 38.8 1.8
169 5 1 -5 23.87 47.74 0.226 9.7 4 538.7 677.5
170 3 0 -9 23.918 47.836 0.227 9.65 2 91.6 9.8
171 2 1 7 23.937 47.874 0.227 9.64 4 108.5 27.3
172 4 1 5 23.954 47.909 0.227 9.62 4 594.3 818.0
173 7 0 -1 23.976 47.952 0.227 9.6 2 59.1 4.0
174 7 0 -2 24.029 48.057 0.228 9.55 2 289.8 96.6
175 6 0 -6 24.032 48.064 0.228 9.55 2 967.8 1076.7
176 1 1 -8 24.117 48.234 0.228 9.47 4 33.8 2.6
177 4 0 7 24.134 48.269 0.229 9.46 2 69.2 5.5
178 7 0 0 24.214 48.427 0.229 9.39 2 361.2 147.4
179 3 0 8 24.242 48.483 0.23 9.36 2 74.8 6.3
180 0 1 8 24.289 48.579 0.23 9.32 4 34.7 2.7
181 6 1 -1 24.334 48.668 0.23 9.28 4 157.6 55.5
182 7 0 -3 24.369 48.739 0.231 9.25 2 243.1 65.8
183 6 0 4 24.411 48.822 0.231 9.22 2 179.7 35.8
184 6 1 -2 24.44 48.879 0.231 9.19 4 160.7 57.2
185 2 1 -8 24.469 48.938 0.232 9.17 4 104.2 24.0
186 6 1 0 24.515 49.03 0.232 9.13 4 401.7 354.6
187 5 0 6 24.729 49.458 0.234 8.95 2 497.3 266.4
188 7 0 1 24.735 49.47 0.234 8.94 2 225.7 54.9
189 4 1 -7 24.802 49.603 0.234 8.89 4 92.8 18.4
190 6 1 -3 24.83 49.66 0.235 8.87 4 233.5 116.3
191 5 0 -8 24.956 49.912 0.236 8.77 2 63.7 4.3
192 6 1 1 24.978 49.957 0.236 8.75 4 130.2 35.7
193 1 1 8 24.979 49.958 0.236 8.75 4 24.5 1.3
194 7 0 -4 24.99 49.98 0.236 8.74 2 252.4 67.0
195 5 1 4 25.013 50.025 0.236 8.72 4 78.3 12.9
196 2 0 9 25.044 50.088 0.237 8.7 2 51.9 2.8
197 5 1 -6 25.174 50.347 0.238 8.59 4 184.2 70.2
198 4 0 -9 25.253 50.507 0.238 8.53 2 2.9 0.0
199 3 1 -8 25.33 50.661 0.239 8.47 4 113.0 26.1
200 1 0 -10 25.46 50.921 0.24 8.37 2 708.6 506.2
201 6 1 -4 25.495 50.989 0.241 8.35 4 160.2 51.6
202 7 0 2 25.527 51.054 0.241 8.33 2 34.5 1.2
203 6 0 -7 25.555 51.11 0.241 8.3 2 227.0 51.5
204 3 1 7 25.604 51.209 0.242 8.27 4 147.8 43.5
205 2 0 -10 25.695 51.39 0.242 8.2 2 605.5 361.9
206 6 1 2 25.713 51.426 0.243 8.19 4 360.2 255.8
207 4 1 6 25.726 51.452 0.243 8.18 4 157.9 49.1
208 0 0 10 25.731 51.461 0.243 8.18 2 553.7 301.7
209 7 0 -5 25.875 51.751 0.244 8.07 2 634.4 391.0
210 6 0 5 25.99 51.98 0.245 7.99 2 577.3 320.6
211 2 1 8 26.155 52.311 0.246 7.88 4 126.1 30.1
212 0 2 0 26.156 52.312 0.246 7.88 2 1689.8 2706.8
213 0 2 1 26.292 52.584 0.248 7.78 4 9.4 0.2
214 1 2 0 26.404 52.807 0.249 7.71 4 52.8 5.2
215 6 1 -5 26.419 52.838 0.249 7.7 4 548.3 557.2
216 3 0 -10 26.425 52.851 0.249 7.69 2 214.4 42.6
217 1 1 -9 26.442 52.884 0.249 7.68 4 982.6 1785.6
218 4 0 8 26.443 52.886 0.249 7.68 2 221.8 45.5
219 1 2 -1 26.488 52.976 0.249 7.65 4 22.0 0.9
220 1 0 10 26.495 52.989 0.249 7.65 2 203.9 38.3
221 5 1 5 26.514 53.029 0.25 7.64 4 493.0 446.7
222 7 0 3 26.573 53.145 0.25 7.6 2 286.5 75.1
223 1 2 1 26.59 53.18 0.25 7.59 4 15.9 0.5
224 0 1 9 26.654 53.308 0.251 7.54 4 600.8 655.5
225 4 1 -8 26.664 53.329 0.251 7.54 4 168.9 51.8
226 0 2 2 26.698 53.396 0.251 7.52 4 42.2 3.2
227 5 1 -7 26.7 53.399 0.251 7.52 4 153.3 42.5
228 6 1 3 26.703 53.405 0.251 7.51 4 488.8 432.2
229 2 1 -9 26.721 53.442 0.251 7.5 4 642.7 746.0
230 3 0 9 26.762 53.524 0.252 7.48 2 121.7 13.3
231 5 0 7 26.783 53.566 0.252 7.46 2 11.6 0.1
232 1 2 -2 26.841 53.682 0.252 7.43 4 50.2 4.5
233 7 0 -6 27.008 54.015 0.254 7.32 2 612.1 330.2
234 5 0 -9 27.028 54.057 0.254 7.31 2 184.7 30.0
235 1 2 2 27.043 54.086 0.254 7.3 4 39.3 2.7
236 2 2 0 27.137 54.275 0.255 7.24 4 201.8 71.0
237 2 2 -1 27.17 54.34 0.255 7.22 4 17.3 0.5
238 6 0 -8 27.282 54.563 0.256 7.16 2 221.9 42.4
239 1 1 9 27.35 54.701 0.257 7.11 4 10.1 0.2
240 0 2 3 27.365 54.73 0.257 7.11 4 33.9 2.0
241 2 2 1 27.37 54.74 0.257 7.1 4 26.5 1.2
242 1 2 -3 27.456 54.912 0.258 7.05 4 2.6 0.0
243 2 2 -2 27.467 54.935 0.258 7.05 4 20.1 0.7
244 3 1 -9 27.482 54.964 0.258 7.04 4 118.6 23.8
245 7 1 -1 27.535 55.069 0.258 7.01 4 144.3 35.1
246 7 1 -2 27.582 55.164 0.259 6.98 4 5.9 0.1
247 6 1 -6 27.585 55.17 0.259 6.98 4 40.3 2.7
248 4 0 -10 27.623 55.246 0.259 6.96 2 177.2 26.3
249 4 1 7 27.678 55.356 0.26 6.92 4 181.2 54.7
250 8 0 -2 27.686 55.372 0.26 6.92 2 12.7 0.1
251 8 0 -1 27.688 55.377 0.26 6.92 2 330.4 90.9
252 2 0 10 27.724 55.448 0.26 6.9 2 272.8 61.8
253 7 1 0 27.75 55.5 0.26 6.88 4 436.0 315.0
254 1 2 3 27.753 55.507 0.26 6.88 4 37.3 2.3
255 6 0 6 27.766 55.532 0.26 6.88 2 448.3 166.3
256 3 1 8 27.775 55.551 0.26 6.87 4 279.8 129.5
257 7 0 4 27.853 55.705 0.261 6.83 2 107.0 9.4
258 2 2 2 27.864 55.727 0.261 6.82 4 16.3 0.4
259 7 1 -3 27.891 55.783 0.261 6.81 4 718.7 846.3
260 6 1 4 27.929 55.859 0.262 6.78 4 214.3 75.0
261 8 0 -3 27.946 55.891 0.262 6.78 2 150.5 18.5
262 8 0 0 27.952 55.904 0.262 6.77 2 848.5 586.8
263 2 2 -3 28.024 56.048 0.263 6.73 4 11.7 0.2
264 5 1 6 28.219 56.438 0.264 6.63 4 141.8 32.1
265 7 1 1 28.224 56.448 0.264 6.62 4 272.7 118.6
266 1 0 -11 28.225 56.451 0.264 6.62 2 83.3 5.5
267 0 2 4 28.28 56.561 0.265 6.59 4 5.2 0.0
268 3 2 -1 28.314 56.629 0.265 6.58 4 21.1 0.7
269 1 2 -4 28.321 56.642 0.265 6.57 4 35.9 2.0
270 3 2 0 28.331 56.663 0.265 6.57 4 242.7 93.2
271 7 0 -7 28.367 56.735 0.266 6.55 2 72.3 4.1
272 2 0 -11 28.396 56.791 0.266 6.53 2 3.8 0.0
273 5 1 -8 28.426 56.852 0.266 6.52 4 31.9 1.6
274 7 1 -4 28.457 56.914 0.266 6.5 4 380.9 227.1
275 8 0 -4 28.462 56.924 0.266 6.5 2 280.4 61.5
276 8 0 1 28.473 56.945 0.266 6.49 2 280.7 61.6
277 2 1 9 28.506 57.012 0.267 6.48 4 410.9 263.3
278 0 0 11 28.526 57.052 0.267 6.47 2 67.9 3.6
279 3 2 -2 28.555 57.111 0.267 6.45 4 23.8 0.9
280 3 2 1 28.606 57.212 0.268 6.43 4 45.9 3.3
281 2 2 3 28.609 57.218 0.268 6.42 4 62.8 6.1
282 4 1 -9 28.698 57.396 0.268 6.38 4 259.2 103.2
283 1 2 4 28.709 57.419 0.269 6.37 4 10.1 0.2
284 2 2 -4 28.829 57.659 0.27 6.31 4 53.8 4.4
285 4 0 9 28.874 57.748 0.27 6.29 2 35.3 0.9
286 1 1 -10 28.888 57.776 0.27 6.29 4 2.1 0.0
287 7 1 2 28.949 57.898 0.271 6.26 4 139.7 29.4
288 6 1 -7 28.975 57.95 0.271 6.24 4 181.7 49.6
289 5 0 8 28.989 57.978 0.271 6.24 2 357.9 96.2
290 3 0 -11 29.031 58.062 0.271 6.22 2 9.7 0.1
291 3 2 -3 29.05 58.1 0.271 6.21 4 130.8 25.5
292 2 1 -10 29.103 58.207 0.272 6.18 4 337.3 169.3
293 3 2 2 29.134 58.267 0.272 6.17 4 44.5 2.9
294 0 1 10 29.136 58.272 0.272 6.17 4 392.9 229.1
295 6 0 -9 29.191 58.382 0.273 6.14 2 275.0 55.9
296 8 0 -5 29.226 58.453 0.273 6.12 2 198.0 28.9
297 8 0 2 29.241 58.483 0.273 6.12 2 58.7 2.5
298 5 0 -10 29.251 58.502 0.273 6.11 2 463.8 158.2
299 7 1 -5 29.269 58.539 0.273 6.1 4 196.3 56.6
300 1 0 11 29.287 58.575 0.273 6.09 2 13.3 0.1
301 7 0 5 29.348 58.696 0.274 6.07 2 184.5 24.8
302 6 1 5 29.375 58.749 0.274 6.05 4 208.9 63.6
303 3 0 10 29.381 58.761 0.274 6.05 2 494.6 178.1
304 1 2 -5 29.422 58.844 0.275 6.03 4 182.1 48.1
305 0 2 5 29.43 58.861 0.275 6.03 4 169.1 41.5
306 2 2 4 29.594 59.189 0.276 5.95 4 48.9 3.4
307 6 0 7 29.721 59.442 0.277 5.9 2 361.9 92.9
308 3 1 -10 29.777 59.553 0.278 5.87 4 386.3 210.9
309 3 2 -4 29.791 59.581 0.278 5.86 4 131.4 24.4
310 4 1 8 29.793 59.586 0.278 5.86 4 27.2 1.0
311 1 1 10 29.841 59.682 0.278 5.84 4 427.7 257.3
312 2 2 -5 29.872 59.743 0.278 5.83 4 387.0 210.2
313 4 2 -1 29.887 59.773 0.279 5.82 4 188.7 49.9
314 1 2 5 29.896 59.791 0.279 5.82 4 450.7 284.6
315 3 2 3 29.906 59.811 0.279 5.81 4 148.3 30.8
316 7 1 3 29.913 59.826 0.279 5.81 4 395.9 219.2
317 7 0 -8 29.936 59.873 0.279 5.8 2 199.2 27.7
318 4 2 0 29.95 59.9 0.279 5.8 4 1064.6 1581.2
319 4 2 -2 30.073 60.145 0.28 5.74 4 105.1 15.3
320 3 1 9 30.088 60.176 0.28 5.74 4 606.9 508.5
321 5 1 7 30.108 60.216 0.28 5.73 4 217.8 65.4
322 4 0 -11 30.113 60.226 0.28 5.73 2 0.5 0.0
323 8 0 -6 30.227 60.455 0.281 5.68 2 314.9 67.7
324 8 0 3 30.246 60.493 0.282 5.67 2 365.4 91.1
325 4 2 1 30.262 60.525 0.282 5.66 4 227.8 70.7
326 7 1 -6 30.316 60.633 0.282 5.64 4 49.1 3.3
327 5 1 -9 30.335 60.671 0.282 5.63 4 722.6 707.8
328 2 0 11 30.489 60.978 0.284 5.57 2 72.3 3.5
329 4 2 -3 30.506 61.011 0.284 5.56 4 83.2 9.3
330 6 1 -8 30.571 61.142 0.284 5.54 4 100.0 13.3
331 1 2 -6 30.745 61.489 0.286 5.47 4 416.9 228.7
332 3 2 -5 30.767 61.533 0.286 5.46 4 535.6 376.9
333 0 2 6 30.799 61.598 0.286 5.45 4 86.5 9.8
334 2 2 5 30.806 61.612 0.286 5.44 4 562.2 414.1
335 4 2 2 30.818 61.637 0.286 5.44 4 154.4 31.2
336 4 1 -10 30.889 61.778 0.287 5.41 4 522.9 356.1
337 3 2 4 30.911 61.823 0.287 5.4 4 61.6 4.9
338 8 1 -2 30.948 61.895 0.287 5.39 4 400.8 208.4
339 8 1 -1 30.95 61.899 0.287 5.39 4 1.3 0.0
340 2 1 10 30.983 61.966 0.288 5.37 4 491.7 312.8
341 6 1 6 31.022 62.044 0.288 5.36 4 231.6 69.2
342 7 0 6 31.043 62.085 0.288 5.35 2 603.3 234.4
343 1 0 -12 31.068 62.136 0.288 5.34 2 483.7 150.4
344 7 1 4 31.103 62.206 0.289 5.33 4 88.8 10.1
345 2 2 -6 31.137 62.273 0.289 5.32 4 617.6 488.1
346 4 2 -4 31.179 62.358 0.289 5.3 4 135.7 23.5
347 2 0 -12 31.182 62.365 0.289 5.3 2 28.9 0.5
348 8 1 -3 31.19 62.38 0.289 5.3 4 409.3 213.6
349 8 1 0 31.196 62.392 0.29 5.29 4 134.0 22.9
350 6 0 -10 31.269 62.538 0.29 5.27 2 538.6 183.8
351 1 2 6 31.298 62.596 0.29 5.26 4 485.3 298.0
352 5 0 9 31.337 62.674 0.291 5.24 2 103.7 6.8
353 0 0 12 31.397 62.794 0.291 5.22 2 560.2 197.1
354 4 0 10 31.425 62.849 0.291 5.21 2 543.9 185.5
355 1 1 -11 31.452 62.903 0.292 5.2 4 15.2 0.3
356 8 0 -7 31.452 62.904 0.292 5.2 2 184.8 21.4
357 8 0 4 31.475 62.949 0.292 5.19 2 38.7 0.9
358 9 0 -2 31.488 62.976 0.292 5.19 2 113.3 8.0
359 9 0 -1 31.536 63.071 0.292 5.17 2 169.1 17.8
360 7 1 -7 31.585 63.169 0.293 5.15 4 222.5 61.4
361 2 1 -11 31.611 63.222 0.293 5.14 4 121.3 18.2
362 4 2 3 31.611 63.223 0.293 5.14 4 178.6 39.5
363 5 0 -11 31.615 63.229 0.293 5.14 2 329.1 67.0
364 8 1 -4 31.673 63.346 0.294 5.12 4 60.1 4.5
365 9 0 -3 31.682 63.365 0.294 5.12 2 171.7 18.1
366 8 1 1 31.683 63.367 0.294 5.12 4 152.6 28.7
367 7 0 -9 31.699 63.398 0.294 5.11 2 330.0 67.0
368 0 1 11 31.733 63.466 0.294 5.1 4 10.9 0.1
369 3 0 -12 31.738 63.476 0.294 5.1 2 429.0 112.9
370 9 0 0 31.825 63.65 0.295 5.07 2 465.2 132.0
371 6 0 8 31.841 63.683 0.295 5.06 2 263.4 42.3
372 5 2 -1 31.851 63.701 0.295 5.06 4 48.5 2.9
373 5 2 0 31.957 63.914 0.296 5.02 4 120.6 17.6
374 3 2 -6 31.966 63.931 0.296 5.02 4 348.5 146.7
375 5 2 -2 31.985 63.969 0.296 5.01 4 215.5 56.0
376 4 1 9 32.06 64.121 0.297 4.99 4 433.3 225.3
377 4 2 -5 32.085 64.17 0.297 4.98 4 290.0 100.7
378 3 0 11 32.102 64.203 0.297 4.97 2 67.4 2.7
379 9 0 -4 32.116 64.233 0.297 4.97 2 271.2 44.0
380 3 2 5 32.139 64.278 0.297 4.96 4 193.3 44.6
381 1 0 12 32.163 64.325 0.298 4.95 2 343.3 70.2
382 5 1 8 32.168 64.337 0.298 4.95 4 8.5 0.1
383 3 1 -11 32.208 64.416 0.298 4.94 4 89.3 9.5
384 2 2 6 32.23 64.46 0.298 4.93 4 821.6 800.9
385 1 2 -7 32.275 64.549 0.298 4.91 4 3.9 0.0
386 5 2 1 32.303 64.606 0.299 4.9 4 127.8 19.3
387 9 0 1 32.352 64.704 0.299 4.89 2 18.9 0.2
388 5 2 -3 32.358 64.716 0.299 4.89 4 13.8 0.2
389 6 1 -9 32.358 64.717 0.299 4.89 4 381.5 171.2
390 0 2 7 32.372 64.745 0.299 4.88 4 115.4 15.6
391 8 1 -5 32.392 64.783 0.299 4.88 4 45.9 2.5
392 8 1 2 32.406 64.812 0.3 4.87 4 60.0 4.2
393 5 1 -10 32.415 64.83 0.3 4.87 4 100.5 11.8
394 1 1 11 32.449 64.899 0.3 4.86 4 20.8 0.5
395 7 1 5 32.506 65.013 0.3 4.84 4 46.9 2.6
396 3 1 10 32.537 65.074 0.301 4.83 4 56.4 3.7
397 2 2 -7 32.611 65.223 0.301 4.81 4 45.3 2.4
398 4 2 4 32.632 65.263 0.301 4.8 4 39.3 1.8
399 4 0 -12 32.723 65.445 0.302 4.77 2 909.9 475.4
400 9 0 -5 32.785 65.57 0.303 4.75 2 11.0 0.1
401 6 1 7 32.858 65.716 0.303 4.73 4 35.4 1.4
402 5 2 2 32.884 65.769 0.304 4.72 4 214.4 52.2
403 8 0 -8 32.888 65.776 0.304 4.72 2 28.9 0.5
404 1 2 7 32.903 65.805 0.304 4.71 4 10.7 0.1
405 8 0 5 32.914 65.828 0.304 4.71 2 145.9 12.1
406 7 0 7 32.923 65.845 0.304 4.71 2 78.7 3.5
407 5 2 -4 32.966 65.931 0.304 4.7 4 82.5 7.7
408 7 1 -8 33.062 66.124 0.305 4.67 4 166.8 31.2
409 9 0 2 33.111 66.222 0.305 4.65 2 248.6 34.6
410 4 2 -6 33.213 66.427 0.306 4.62 4 174.1 33.7
411 4 1 -11 33.229 66.458 0.306 4.62 4 97.0 10.5
412 8 1 -6 33.337 66.675 0.307 4.58 4 81.0 7.2
413 2 0 12 33.348 66.696 0.307 4.58 2 277.6 42.5
414 8 1 3 33.355 66.711 0.307 4.58 4 282.1 87.7
415 3 2 -7 33.376 66.752 0.308 4.57 4 26.4 0.8
416 6 0 -11 33.506 67.013 0.309 4.54 2 32.8 0.6
417 3 2 6 33.576 67.153 0.309 4.52 4 734.2 586.1
418 2 1 11 33.585 67.171 0.309 4.51 4 39.3 1.7
419 7 0 -10 33.643 67.287 0.31 4.5 2 333.9 60.3
420 9 0 -6 33.681 67.362 0.31 4.49 2 304.0 49.9
421 5 2 3 33.695 67.389 0.31 4.48 4 43.6 2.1
422 5 2 -5 33.802 67.604 0.311 4.45 4 21.8 0.5
423 5 0 10 33.823 67.646 0.311 4.45 2 322.9 55.8
424 2 2 7 33.855 67.71 0.311 4.44 4 182.4 35.5
425 4 2 5 33.869 67.738 0.312 4.43 4 35.7 1.4
426 1 2 -8 34.0 67.999 0.313 4.4 4 2.8 0.0
427 1 0 -13 34.001 68.003 0.313 4.4 2 91.2 4.4
428 2 0 -13 34.067 68.134 0.313 4.38 2 11.4 0.1
429 9 0 3 34.094 68.189 0.313 4.37 2 133.0 9.3
430 4 0 11 34.096 68.193 0.313 4.37 2 9.5 0.0
431 7 1 6 34.111 68.223 0.313 4.37 4 44.5 2.1
432 5 0 -12 34.117 68.233 0.314 4.37 2 543.9 155.5
433 6 0 9 34.12 68.239 0.314 4.37 2 79.0 3.3
434 1 1 -12 34.135 68.271 0.314 4.36 4 96.9 9.9
435 0 2 8 34.139 68.278 0.314 4.36 4 78.5 6.5
436 6 2 -1 34.175 68.349 0.314 4.35 4 84.1 7.4
437 2 1 -12 34.245 68.489 0.315 4.33 4 41.1 1.8
438 6 2 -2 34.26 68.521 0.315 4.33 4 201.8 42.5
439 2 2 -8 34.284 68.568 0.315 4.32 4 70.3 5.1
440 6 2 0 34.321 68.642 0.315 4.31 4 490.7 250.1
441 6 1 -10 34.327 68.654 0.315 4.31 4 57.1 3.4
442 0 0 13 34.359 68.719 0.315 4.3 2 45.2 1.1
443 5 1 9 34.392 68.784 0.316 4.3 4 51.0 2.7
444 0 1 12 34.449 68.898 0.316 4.28 4 69.6 5.0
445 4 1 10 34.475 68.951 0.316 4.27 4 101.3 10.6
446 8 1 -7 34.502 69.003 0.317 4.27 4 119.3 14.6
447 8 1 4 34.523 69.046 0.317 4.26 4 226.3 52.5
448 8 0 -9 34.524 69.048 0.317 4.26 2 192.1 18.9
449 9 1 -2 34.536 69.071 0.317 4.26 4 187.3 36.0
450 8 0 6 34.553 69.106 0.317 4.25 2 18.9 0.2
451 4 2 -7 34.554 69.108 0.317 4.25 4 43.4 1.9
452 3 0 -13 34.554 69.109 0.317 4.25 2 112.0 6.4
453 6 2 -3 34.577 69.155 0.317 4.25 4 44.3 2.0
454 9 1 -1 34.581 69.162 0.317 4.25 4 28.2 0.8
455 5 1 -11 34.657 69.313 0.318 4.23 4 1.2 0.0
456 6 2 1 34.699 69.397 0.318 4.22 4 233.3 55.3
457 1 2 8 34.699 69.398 0.318 4.22 4 131.9 17.7
458 9 1 -3 34.721 69.442 0.318 4.21 4 5.3 0.0
459 5 2 4 34.727 69.453 0.318 4.21 4 25.9 0.7
460 7 1 -9 34.737 69.474 0.319 4.21 4 12.3 0.2
461 3 1 -12 34.775 69.549 0.319 4.2 4 53.3 2.9
462 9 0 -7 34.796 69.592 0.319 4.19 2 367.2 68.1
463 9 1 0 34.857 69.715 0.319 4.18 4 51.9 2.7
464 5 2 -6 34.859 69.717 0.319 4.18 4 316.1 100.5
465 6 1 8 34.873 69.746 0.32 4.18 4 197.3 39.1
466 3 0 12 34.933 69.866 0.32 4.16 2 543.2 147.8
467 7 0 8 34.979 69.958 0.32 4.15 2 20.9 0.2
468 3 2 -8 34.987 69.975 0.321 4.15 4 97.8 9.6
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 0 3.359 6.718 15.266 298.6 4.1 4.2 5.5
2 0 0 2 4.981 9.962 10.30152 81.1 1.1 1.1 5.6
3 1 0 -2 5.608 11.217 9.15264 94.6 1.3 1.3 5.6
4 2 0 0 6.73 13.459 7.633 1086.7 14.9 15.1 5.6
5 3 0 0 10.124 20.248 5.08867 691.4 9.5 9.6 5.6
6 3 0 -3 11.749 23.498 4.39269 129.7 1.8 1.8 5.6
7 1 0 -5 12.521 25.041 4.1259 404.9 5.5 5.6 5.6
8 1 1 0 13.183 26.366 3.92199 1388.7 19.0 19.1 5.6
9 3 0 -4 13.249 26.498 3.90285 100.9 1.4 1.4 5.6
10 2 0 -5 13.405 26.809 3.85831 839.0 11.5 11.6 5.6
11 1 0 5 13.451 26.901 3.84537 1457.0 19.9 20.1 5.6
12 4 0 0 13.554 27.109 3.8165 6273.8 85.8 86.4 5.6
13 4 0 1 14.137 28.274 3.66215 267.0 3.7 3.7 5.6
14 2 1 0 14.455 28.91 3.58324 2186.9 29.9 30.1 5.6
15 0 1 3 14.834 29.667 3.49381 1704.3 23.3 23.4 5.6
16 1 0 -6 15.004 30.008 3.45508 829.6 11.3 11.4 5.6
17 3 0 -5 15.042 30.084 3.44649 1213.9 16.6 16.7 5.6
18 2 0 5 15.111 30.222 3.43114 1494.1 20.4 20.5 5.6
19 1 1 3 15.466 30.931 3.3543 3016.5 41.3 41.4 5.6
20 2 1 2 15.642 31.283 3.31751 100.6 1.4 1.4 5.6
21 2 0 -6 15.681 31.363 3.3093 1439.7 19.7 19.8 5.6
22 2 1 -3 15.895 31.791 3.26589 1451.3 19.9 19.9 5.6
23 1 0 6 15.954 31.908 3.25421 935.1 12.8 12.8 5.6
24 3 1 0 16.375 32.749 3.17279 1465.2 20.0 20.1 5.6
25 4 0 3 16.474 32.948 3.15413 112.1 1.5 1.5 5.6
26 2 1 3 16.8 33.6 3.09468 960.2 13.1 13.2 5.7
27 3 0 -6 17.048 34.097 3.05088 456.4 6.2 6.2 5.7
28 5 0 -2 17.079 34.158 3.04555 159.4 2.2 2.2 5.7
29 4 0 -5 17.239 34.479 3.01811 254.2 3.5 3.5 5.7
30 3 0 5 17.325 34.65 3.00368 104.0 1.4 1.4 5.7
31 3 1 -3 17.462 34.924 2.98083 7309.8 100.0 100.0 5.7
32 5 0 1 17.584 35.167 2.96083 93.5 1.3 1.3 5.7
33 0 1 5 18.02 36.04 2.89139 5104.9 69.8 69.8 5.7
34 5 0 2 18.48 36.96 2.82189 130.8 1.8 1.8 5.7
35 3 1 -4 18.54 37.08 2.81305 116.0 1.6 1.6 5.7
36 2 1 -5 18.656 37.311 2.79623 962.2 13.2 13.1 5.7
37 1 1 5 18.69 37.38 2.79129 848.9 11.6 11.6 5.7
38 4 1 0 18.767 37.535 2.78019 74.1 1.0 1.0 5.7
39 4 1 -2 18.941 37.882 2.75564 257.7 3.5 3.5 5.7
40 4 0 -6 18.975 37.949 2.75093 80.7 1.1 1.1 5.7
41 3 0 6 19.51 39.021 2.67819 1369.3 18.7 18.7 5.7
42 4 1 -3 19.547 39.094 2.67341 2912.4 39.8 39.7 5.7
43 2 0 7 19.916 39.832 2.62581 80.1 1.1 1.1 5.7
44 4 1 -4 20.469 40.938 2.55778 198.8 2.7 2.7 5.7
45 6 0 0 20.582 41.164 2.54433 532.3 7.3 7.2 5.7
46 4 1 3 21.049 42.098 2.49039 154.9 2.1 2.1 5.7
47 6 0 1 21.112 42.224 2.4833 148.6 2.0 2.0 5.7
48 5 0 -6 21.334 42.668 2.45863 194.4 2.7 2.6 5.7
49 4 1 -5 21.675 43.35 2.42178 554.4 7.6 7.5 5.7
50 3 1 5 21.745 43.491 2.41431 550.9 7.5 7.5 5.7
51 4 1 4 22.385 44.771 2.34868 122.5 1.7 1.7 5.7
52 5 1 -4 22.814 45.628 2.30683 176.6 2.4 2.4 5.7
53 5 0 -7 23.05 46.1 2.28448 77.7 1.1 1.1 5.7
54 5 1 3 23.736 47.473 2.22211 3047.2 41.7 41.2 5.7
55 5 1 -5 23.87 47.74 2.21037 677.5 9.3 9.1 5.7
56 4 1 5 23.954 47.909 2.20306 859.1 11.8 11.6 5.7
57 6 0 -6 24.032 48.064 2.19634 1173.3 16.1 15.8 5.7
58 7 0 0 24.214 48.427 2.18086 153.7 2.1 2.1 5.7
59 6 1 -2 24.44 48.879 2.16191 93.0 1.3 1.3 5.7
60 6 1 0 24.515 49.03 2.15569 354.6 4.9 4.8 5.7
61 5 0 6 24.729 49.458 2.13817 321.3 4.4 4.3 5.7
62 6 1 -3 24.83 49.66 2.13005 134.8 1.8 1.8 5.7
63 7 0 -4 24.99 49.98 2.11727 121.1 1.7 1.6 5.7
64 1 0 -10 25.46 50.921 2.08069 506.2 6.9 6.8 5.8
65 2 0 -10 25.695 51.39 2.06295 617.7 8.5 8.3 5.8
66 0 0 10 25.731 51.461 2.0603 350.8 4.8 4.7 5.8
67 7 0 -5 25.875 51.751 2.04956 391.0 5.3 5.3 5.8
68 6 0 5 25.99 51.98 2.04116 320.6 4.4 4.3 5.8
69 0 2 0 26.156 52.312 2.0291 2736.9 37.4 36.7 5.8
70 1 1 -9 26.442 52.884 2.00872 2436.1 33.3 32.7 5.8
71 5 1 5 26.514 53.029 2.00362 485.0 6.6 6.5 5.8
72 7 0 3 26.573 53.145 1.99955 75.5 1.0 1.0 5.8
73 0 1 9 26.654 53.308 1.99387 707.3 9.7 9.5 5.8
74 2 1 -9 26.721 53.442 1.98924 1223.9 16.7 16.4 5.8
75 7 0 -6 27.008 54.015 1.9697 360.2 4.9 4.8 5.8
76 8 0 -1 27.688 55.377 1.92497 145.8 2.0 1.9 5.8
77 7 1 0 27.75 55.5 1.92104 674.9 9.2 9.0 5.8
78 7 1 -3 27.891 55.783 1.91207 846.3 11.6 11.3 5.8
79 8 0 0 27.952 55.904 1.90825 680.3 9.3 9.1 5.8
80 7 1 1 28.224 56.448 1.89135 156.3 2.1 2.1 5.8
81 3 2 0 28.331 56.663 1.88478 95.2 1.3 1.3 5.8
82 7 1 -4 28.457 56.914 1.87715 350.3 4.8 4.7 5.8
83 2 1 9 28.506 57.012 1.87418 266.9 3.7 3.6 5.8
84 4 1 -9 28.698 57.396 1.8627 103.3 1.4 1.4 5.8
85 5 0 8 28.989 57.978 1.8456 175.2 2.4 2.3 5.8
86 2 1 -10 29.103 58.207 1.83898 169.3 2.3 2.3 5.8
87 0 1 10 29.136 58.272 1.83711 232.0 3.2 3.1 5.8
88 5 0 -10 29.251 58.502 1.83053 246.4 3.4 3.3 5.8
89 3 0 10 29.381 58.761 1.82316 266.5 3.6 3.5 5.8
90 1 2 -5 29.422 58.844 1.82082 89.6 1.2 1.2 5.8
91 6 0 7 29.721 59.442 1.80417 92.9 1.3 1.2 5.8
92 3 1 -10 29.777 59.553 1.8011 236.3 3.2 3.1 5.8
93 1 1 10 29.841 59.682 1.79758 257.3 3.5 3.4 5.8
94 1 2 5 29.896 59.791 1.79458 794.7 10.9 10.6 5.8
95 4 2 0 29.95 59.9 1.79162 1608.9 22.0 21.4 5.8
96 3 1 9 30.088 60.176 1.78417 589.2 8.1 7.8 5.8
97 8 0 3 30.246 60.493 1.77572 229.6 3.1 3.0 5.8
98 5 1 -9 30.335 60.671 1.77099 711.1 9.7 9.4 5.8
99 3 2 -5 30.767 61.533 1.74856 605.6 8.3 8.0 5.8
100 4 2 2 30.818 61.637 1.7459 455.1 6.2 6.0 5.8
101 4 1 -10 30.889 61.778 1.74231 361.1 4.9 4.8 5.8
102 8 1 -2 30.948 61.895 1.73933 208.4 2.9 2.8 5.8
103 2 1 10 30.983 61.966 1.73754 312.8 4.3 4.1 5.8
104 7 0 6 31.043 62.085 1.73455 454.0 6.2 6.0 5.8
105 2 2 -6 31.137 62.273 1.72982 488.1 6.7 6.5 5.8
106 8 1 -3 31.19 62.38 1.72717 260.5 3.6 3.4 5.8
107 1 2 6 31.298 62.596 1.72181 481.8 6.6 6.4 5.8
108 0 0 12 31.397 62.794 1.71692 382.6 5.2 5.1 5.9
109 7 1 -7 31.585 63.169 1.70777 119.1 1.6 1.6 5.9
110 7 0 -9 31.699 63.398 1.70225 118.3 1.6 1.6 5.9
111 3 0 -12 31.738 63.476 1.70037 112.9 1.5 1.5 5.9
112 9 0 0 31.825 63.65 1.69622 177.1 2.4 2.3 5.9
113 5 2 -2 31.985 63.969 1.68864 220.3 3.0 2.9 5.9
114 4 1 9 32.06 64.121 1.68508 326.0 4.5 4.3 5.9
115 1 0 12 32.163 64.325 1.68029 114.9 1.6 1.5 5.9
116 2 2 6 32.23 64.46 1.67715 810.3 11.1 10.7 5.9
117 6 1 -9 32.358 64.717 1.67122 186.8 2.6 2.5 5.9
118 4 0 -12 32.723 65.445 1.65465 475.4 6.5 6.3 5.9
119 8 1 3 33.355 66.711 1.6268 137.4 1.9 1.8 5.9
120 3 2 6 33.576 67.153 1.61733 587.7 8.0 7.7 5.9
121 5 0 -12 34.117 68.233 1.59474 186.6 2.6 2.4 5.9
122 6 2 0 34.321 68.642 1.5864 253.5 3.5 3.3 5.9
123 8 0 -9 34.524 69.048 1.57823 130.6 1.8 1.7 5.9
124 6 2 1 34.699 69.397 1.57127 73.6 1.0 1.0 5.9
125 6 1 8 34.873 69.746 1.5644 142.4 1.9 1.9 5.9
126 3 0 12 34.933 69.866 1.56205 147.8 2.0 1.9 5.9
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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