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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LANGBEINITE
11, Tl, Cd, at 85'K, analogue
Tl(2)Cd(2)[SO(4)](3)
Orthorhombic P 2(1)2(1)2(1) Z = 4
R =0.0573 NR =4028
6 .4 .1901
Ref.Str.:
A. Guelylah, G. Madariaga, W. Morgenroth, M.I. Aroyo, T. Breczewski,
E.H. Bocanegra (2000) * Acta Cryst., B 56, 921-935
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.327 alpha = 90.0
b = 10.345 beta = 90.0
c = 10.405 gamma = 90.0
Unit cell volume (cub. angs.) = 1111.6
Molar volume ( cub.cm/mol.) = 167.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.8123 0.8284 0.8165 0.01 Tl = 1.00
2 0.0583 0.0401 0.0505 0.01 Tl = 1.00
3 0.3325 0.3163 0.3408 0.01 Cd = 1.00
4 0.579 0.5998 0.5943 0.01 Cd = 1.00
5 0.2602 0.6201 0.5082 0.0 S = 1.00
6 0.175 0.7 0.434 0.01 O = 1.00
7 0.3937 0.673 0.496 0.01 O = 1.00
8 0.253 0.4866 0.454 0.01 O = 1.00
9 0.221 0.616 0.6443 0.01 O = 1.00
10 0.5234 0.285 0.6269 0.0 S = 1.00
11 0.511 0.195 0.731 0.01 O = 1.00
12 0.491 0.4162 0.676 0.01 O = 1.00
13 0.429 0.245 0.5252 0.01 O = 1.00
14 0.6553 0.284 0.573 0.01 O = 1.00
15 0.6325 0.5072 0.286 0.0 S = 1.00
16 0.736 0.44 0.222 0.01 O = 1.00
17 0.682 0.554 0.4122 0.01 O = 1.00
18 0.5245 0.413 0.305 0.01 O = 1.00
19 0.585 0.617 0.209 0.01 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.8123 0.8284 0.8165
2 2 0.0583 0.0401 0.0505
3 3 0.3325 0.3163 0.3408
4 4 0.579 0.5998 0.5943
5 5 0.2602 0.6201 0.5082
6 6 0.175 0.7 0.434
7 7 0.3937 0.673 0.496
8 8 0.253 0.4866 0.454
9 9 0.221 0.616 0.6443
10 10 0.5234 0.285 0.6269
11 11 0.511 0.195 0.731
12 12 0.491 0.4162 0.676
13 13 0.429 0.245 0.5252
14 14 0.6553 0.284 0.573
15 15 0.6325 0.5072 0.286
16 16 0.736 0.44 0.222
17 17 0.682 0.554 0.4122
18 18 0.5245 0.413 0.305
19 19 0.585 0.617 0.209
20 1 0.6877 0.1716 0.3165
21 2 0.4417 0.9599 0.5505
22 3 0.1675 0.6837 0.8408
23 4 0.921 0.4002 0.0943
24 5 0.2398 0.3799 0.0082
25 6 0.325 0.3 0.934
26 7 0.1063 0.327 0.996
27 8 0.247 0.5134 0.954
28 9 0.279 0.384 0.1443
29 10 0.9766 0.715 0.1269
30 11 0.989 0.805 0.231
31 12 0.009 0.5838 0.176
32 13 0.071 0.755 0.0252
33 14 0.8447 0.716 0.073
34 15 0.8675 0.4928 0.786
35 16 0.764 0.56 0.722
36 17 0.818 0.446 0.9122
37 18 0.9755 0.587 0.805
38 19 0.915 0.383 0.709
39 1 0.1877 0.3284 0.6835
40 2 0.9417 0.5401 0.4495
41 3 0.6675 0.8163 0.1592
42 4 0.421 0.0998 0.9057
43 5 0.7398 0.1201 0.9918
44 6 0.825 0.2 0.066
45 7 0.6063 0.173 0.004
46 8 0.747 0.9866 0.046
47 9 0.779 0.116 0.8557
48 10 0.4766 0.785 0.8731
49 11 0.489 0.695 0.769
50 12 0.509 0.9162 0.824
51 13 0.571 0.745 0.9748
52 14 0.3447 0.784 0.927
53 15 0.3675 0.0072 0.214
54 16 0.264 0.94 0.278
55 17 0.318 0.054 0.0878
56 18 0.4755 0.913 0.195
57 19 0.415 0.117 0.291
58 1 0.3123 0.6716 0.1835
59 2 0.5583 0.4599 0.9495
60 3 0.8325 0.1837 0.6592
61 4 0.079 0.9002 0.4057
62 5 0.7602 0.8799 0.4918
63 6 0.675 0.8 0.566
64 7 0.8937 0.827 0.504
65 8 0.753 0.0134 0.546
66 9 0.721 0.884 0.3557
67 10 0.0234 0.215 0.3731
68 11 0.011 0.305 0.269
69 12 0.991 0.0838 0.324
70 13 0.929 0.255 0.4748
71 14 0.1553 0.216 0.427
72 15 0.1325 0.9928 0.714
73 16 0.236 0.06 0.778
74 17 0.182 0.946 0.5878
75 18 0.0245 0.087 0.695
76 19 0.085 0.883 0.791
X-ray density (g/cm cub.) = 5.51
MU (1/cm) = 921.48 Mass attenuation coefficient (cm**2/g) = 167.368
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Tl 3.552 12
3.5256 13
2.9305 14
2.9876 16
3.0152 18
2.9725 8
3.0226 9
3.2622 12
3.1093 13
2.9816 6
3.3584 7
3.4581 8
2.8844 19
2 Tl 3.552 10
3.0622 7
3.155 11
2.9639 13
2.9271 6
3.2625 8
3.3447 16
2.7136 17
2.964 12
3.3837 16
3.1635 19
3 Cd 2.82 6
2.2727 8
2.2844 13
2.2519 18
2.2307 9
2.2902 19
2.2869 14
4 Cd 2.82 6
2.2981 7
2.2707 12
2.224 17
2.3633 16
2.2667 11
2.3149 6
5 S 1.98 4
1.433 6
1.4887 7
1.4936 8
1.4735 9
6 O 3.264 6
2.3654 7
2.3592 8
2.4019 9
3.0547 11
3.1054 16
3.0071 17
7 O 3.264 4
2.3654 6
2.4537 8
2.431 9
3.0148 11
8 O 3.264 5
2.3592 6
2.4537 7
2.4129 9
3.1779 13
2.9889 14
9 O 3.264 5
2.4019 6
2.431 7
2.4129 8
3.0518 18
3.1641 11
10 S 1.98 4
1.434 11
1.4883 12
1.4971 13
1.4731 14
11 O 3.264 8
2.3678 12
2.3601 13
2.4023 14
3.0547 6
3.0148 7
3.1641 9
3.0423 12
3.2023 16
12 O 3.264 5
2.3678 11
2.4512 13
2.4285 14
3.2234 16
3.0423 11
13 O 3.264 7
3.1779 8
2.3601 11
2.4512 12
2.4232 14
3.0402 18
2.7771 19
3.0204 14
14 O 3.264 6
2.4023 11
2.4285 12
2.4232 13
3.2006 19
2.9889 8
3.0205 13
15 S 1.98 4
1.4385 16
1.49 17
1.4942 18
1.474 19
16 O 3.264 6
2.3703 17
2.3652 18
2.4089 19
3.2234 12
3.1054 6
3.2023 11
17 O 3.264 4
2.3703 16
2.453 18
2.4287 19
3.0071 6
18 O 3.264 5
3.0402 13
2.3652 16
2.453 17
2.417 19
3.0518 9
19 O 3.264 5
2.4089 16
2.4287 17
2.417 18
3.2006 14
2.7771 13
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 1 1 6.027 12.054 0.068 178.44 4 39.8 91.6
2 1 0 1 6.032 12.065 0.068 178.13 4 7.0 2.8
3 1 1 0 6.05 12.1 0.068 177.09 4 14.1 11.4
4 1 1 1 7.4 14.8 0.084 117.61 8 128.7 1260.8
5 0 0 2 8.514 17.029 0.096 88.29 2 39.6 22.5
6 0 2 0 8.564 17.128 0.097 87.25 2 25.8 9.4
7 2 0 0 8.579 17.159 0.097 86.93 2 1.7 0.0
8 0 1 2 9.54 19.079 0.108 69.89 4 4.2 0.4
9 1 0 2 9.543 19.086 0.108 69.84 4 41.0 38.1
10 0 2 1 9.573 19.146 0.108 69.39 4 62.0 86.2
11 2 0 1 9.587 19.173 0.108 69.19 4 28.4 18.1
12 1 2 0 9.588 19.175 0.108 69.17 4 27.4 16.8
13 2 1 0 9.598 19.195 0.108 69.02 4 0.8 0.0
14 1 1 2 10.471 20.942 0.118 57.64 8 208.4 1621.6
15 1 2 1 10.502 21.003 0.118 57.3 8 187.9 1310.0
16 2 1 1 10.511 21.022 0.118 57.19 8 193.5 1386.8
17 0 2 2 12.122 24.244 0.136 42.48 4 264.5 961.8
18 2 0 2 12.133 24.266 0.136 42.4 4 252.0 871.6
19 2 2 0 12.168 24.337 0.137 42.14 4 266.1 966.2
20 1 2 2 12.876 25.753 0.145 37.41 8 93.0 209.6
21 2 1 2 12.884 25.768 0.145 37.36 8 74.3 133.5
22 2 2 1 12.909 25.819 0.145 37.21 8 119.1 341.5
23 0 1 3 13.547 27.094 0.152 33.61 4 493.1 2645.3
24 1 0 3 13.549 27.098 0.152 33.59 4 457.0 2271.1
25 0 3 1 13.611 27.222 0.153 33.27 4 449.3 2174.0
26 1 3 0 13.621 27.242 0.153 33.22 4 526.6 2982.1
27 3 0 1 13.633 27.265 0.153 33.16 4 525.2 2960.7
28 3 1 0 13.641 27.281 0.153 33.12 4 519.2 2890.4
29 1 1 3 14.231 28.462 0.16 30.27 8 209.4 859.2
30 1 3 1 14.292 28.584 0.16 29.99 8 233.1 1054.9
31 3 1 1 14.31 28.621 0.16 29.91 8 123.6 295.9
32 2 2 2 14.927 29.854 0.167 27.33 8 68.1 82.0
33 0 2 3 15.509 31.019 0.174 25.17 4 83.4 56.6
34 2 0 3 15.518 31.036 0.174 25.14 4 244.4 486.2
35 0 3 2 15.545 31.09 0.174 25.05 4 300.5 732.4
36 3 0 2 15.564 31.128 0.174 24.98 4 99.1 79.4
37 2 3 0 15.582 31.163 0.174 24.92 4 18.0 2.6
38 3 2 0 15.592 31.185 0.174 24.89 4 167.8 226.8
39 1 2 3 16.117 32.234 0.18 23.17 8 375.1 2110.7
40 2 1 3 16.123 32.247 0.18 23.15 8 317.0 1506.1
41 1 3 2 16.151 32.303 0.181 23.07 8 294.1 1291.5
42 3 1 2 16.168 32.336 0.181 23.01 8 368.5 2023.4
43 2 3 1 16.178 32.356 0.181 22.98 8 338.7 1706.9
44 3 2 1 16.189 32.377 0.181 22.95 8 264.2 1037.6
45 0 0 4 17.225 34.449 0.192 20.06 2 80.2 20.9
46 0 4 0 17.328 34.655 0.193 19.8 2 75.9 18.5
47 4 0 0 17.359 34.718 0.194 19.72 2 12.0 0.5
48 0 1 4 17.778 35.557 0.198 18.72 4 253.5 389.6
49 1 0 4 17.78 35.561 0.198 18.71 4 142.2 122.5
50 2 2 3 17.83 35.66 0.199 18.6 8 109.3 143.8
51 2 3 2 17.861 35.723 0.199 18.53 8 75.3 68.0
52 3 2 2 17.871 35.742 0.199 18.51 8 158.9 302.6
53 0 4 1 17.872 35.745 0.199 18.5 4 93.2 52.0
54 1 4 0 17.881 35.761 0.199 18.49 4 143.1 122.6
55 4 0 1 17.903 35.806 0.2 18.44 4 219.7 288.1
56 4 1 0 17.909 35.818 0.2 18.42 4 99.4 58.9
57 1 1 4 18.319 36.639 0.204 17.53 8 47.9 26.1
58 0 3 3 18.36 36.721 0.204 17.44 4 38.8 8.5
59 3 0 3 18.377 36.754 0.205 17.41 4 21.3 2.6
60 1 4 1 18.411 36.822 0.205 17.34 8 47.3 25.1
61 3 3 0 18.432 36.864 0.205 17.29 4 5.0 0.1
62 4 1 1 18.439 36.878 0.205 17.28 8 24.2 6.5
63 1 3 3 18.887 37.774 0.21 16.39 8 141.0 211.1
64 3 1 3 18.902 37.803 0.21 16.36 8 170.7 308.5
65 3 3 1 18.949 37.898 0.211 16.27 8 132.8 185.9
66 0 2 4 19.357 38.714 0.215 15.52 4 152.4 116.6
67 2 0 4 19.364 38.729 0.215 15.51 4 19.0 1.8
68 0 4 2 19.427 38.854 0.216 15.4 4 129.2 83.3
69 4 0 2 19.455 38.911 0.216 15.35 4 28.4 4.0
70 2 4 0 19.458 38.915 0.216 15.34 4 143.8 102.6
71 4 2 0 19.479 38.957 0.216 15.31 4 50.7 12.7
72 1 2 4 19.861 39.723 0.221 14.66 8 124.9 148.0
73 2 1 4 19.867 39.733 0.221 14.65 8 127.5 154.3
74 1 4 2 19.93 39.86 0.221 14.55 8 65.5 40.4
75 2 4 1 19.952 39.904 0.222 14.51 8 207.3 403.8
76 4 1 2 19.956 39.912 0.222 14.51 8 105.9 105.3
77 4 2 1 19.973 39.946 0.222 14.48 8 142.3 189.9
78 2 3 3 20.398 40.795 0.226 13.82 8 161.1 232.2
79 3 2 3 20.406 40.812 0.226 13.8 8 189.3 320.3
80 3 3 2 20.434 40.868 0.227 13.76 8 241.6 520.0
81 2 2 4 21.314 42.628 0.236 12.52 8 324.7 854.6
82 2 4 2 21.379 42.757 0.237 12.44 8 406.1 1328.2
83 4 2 2 21.398 42.797 0.237 12.41 8 453.1 1650.0
84 0 3 4 21.773 43.545 0.241 11.94 4 53.5 11.1
85 3 0 4 21.787 43.574 0.241 11.92 4 193.9 145.2
86 0 4 3 21.81 43.619 0.241 11.89 4 124.9 60.0
87 4 0 3 21.835 43.671 0.241 11.86 4 84.5 27.4
88 3 4 0 21.872 43.743 0.242 11.82 4 90.8 31.6
89 4 3 0 21.883 43.766 0.242 11.8 4 25.6 2.5
90 0 1 5 22.183 44.366 0.245 11.45 4 287.5 306.2
91 1 0 5 22.184 44.369 0.245 11.45 4 347.4 447.2
92 1 3 4 22.231 44.463 0.246 11.39 8 255.0 479.4
93 3 1 4 22.244 44.488 0.246 11.38 8 333.1 817.0
94 1 4 3 22.268 44.536 0.246 11.35 8 361.7 961.3
95 4 1 3 22.292 44.583 0.246 11.32 8 348.1 888.0
96 0 5 1 22.308 44.616 0.246 11.3 4 257.5 242.6
97 1 5 0 22.315 44.629 0.246 11.3 4 254.1 236.2
98 3 4 1 22.322 44.644 0.247 11.29 8 301.6 664.7
99 4 3 1 22.333 44.666 0.247 11.27 8 374.9 1026.0
100 5 0 1 22.347 44.695 0.247 11.26 4 292.1 311.0
101 5 1 0 22.353 44.705 0.247 11.25 4 324.0 382.3
102 1 1 5 22.635 45.27 0.25 10.94 8 95.4 64.5
103 3 3 3 22.73 45.459 0.251 10.84 8 95.6 64.1
104 1 5 1 22.758 45.516 0.251 10.8 8 179.6 225.7
105 5 1 1 22.796 45.591 0.251 10.76 8 32.7 7.5
106 0 2 5 23.515 47.029 0.259 10.03 4 86.5 24.3
107 2 0 5 23.521 47.041 0.259 10.03 4 55.1 9.9
108 2 3 4 23.566 47.131 0.26 9.98 8 263.9 450.3
109 3 2 4 23.573 47.146 0.26 9.98 8 93.7 56.7
110 2 4 3 23.6 47.201 0.26 9.95 8 23.7 3.6
111 4 2 3 23.619 47.237 0.26 9.93 8 149.5 143.8
112 0 5 2 23.619 47.238 0.26 9.93 4 203.0 132.5
113 3 4 2 23.633 47.266 0.26 9.92 8 269.4 466.1
114 4 3 2 23.643 47.287 0.26 9.91 8 128.3 105.7
115 2 5 0 23.645 47.29 0.26 9.91 4 54.4 9.5
116 5 0 2 23.657 47.314 0.26 9.9 4 82.8 22.0
117 5 2 0 23.677 47.354 0.261 9.88 4 19.4 1.2
118 1 2 5 23.947 47.894 0.263 9.63 8 127.6 101.5
119 2 1 5 23.952 47.903 0.264 9.62 8 82.7 42.6
120 1 5 2 24.05 48.101 0.265 9.53 8 124.2 95.3
121 2 5 1 24.07 48.139 0.265 9.52 8 144.0 127.7
122 5 1 2 24.086 48.172 0.265 9.5 8 149.6 137.7
123 5 2 1 24.101 48.202 0.265 9.49 8 103.8 66.2
124 0 4 4 24.834 49.668 0.273 8.86 4 115.5 38.3
125 4 0 4 24.857 49.715 0.273 8.84 4 74.3 15.8
126 4 4 0 24.934 49.868 0.274 8.78 4 0.4 0.0
127 2 2 5 25.211 50.423 0.276 8.56 8 60.3 20.2
128 1 4 4 25.25 50.499 0.277 8.53 8 228.2 287.7
129 4 1 4 25.271 50.542 0.277 8.52 8 124.9 86.0
130 2 5 2 25.311 50.622 0.278 8.49 8 160.7 141.9
131 5 2 2 25.341 50.682 0.278 8.47 8 91.0 45.3
132 4 4 1 25.342 50.684 0.278 8.46 8 198.1 215.2
133 0 3 5 25.615 51.231 0.281 8.26 4 124.4 41.4
134 3 0 5 25.628 51.256 0.281 8.25 4 162.9 70.9
135 3 3 4 25.67 51.341 0.281 8.22 8 109.8 64.2
136 0 5 3 25.69 51.381 0.281 8.21 4 154.7 63.6
137 3 4 3 25.703 51.406 0.282 8.2 8 40.0 8.5
138 4 3 3 25.713 51.426 0.282 8.19 8 55.6 16.4
139 5 0 3 25.726 51.451 0.282 8.18 4 119.4 37.7
140 3 5 0 25.745 51.49 0.282 8.17 4 25.6 1.7
141 5 3 0 25.768 51.536 0.282 8.15 4 99.7 26.2
142 1 3 5 26.022 52.044 0.285 7.97 8 153.4 121.4
143 3 1 5 26.033 52.066 0.285 7.96 8 60.3 18.7
144 1 5 3 26.096 52.192 0.286 7.92 8 49.6 12.6
145 5 1 3 26.13 52.259 0.286 7.89 8 113.3 65.6
146 3 5 1 26.144 52.288 0.286 7.88 8 51.0 13.3
147 5 3 1 26.167 52.333 0.286 7.87 8 127.8 83.2
148 0 0 6 26.371 52.742 0.288 7.73 2 137.8 23.8
149 2 4 4 26.468 52.936 0.289 7.67 8 78.6 30.7
150 4 2 4 26.485 52.969 0.289 7.66 8 67.3 22.5
151 0 6 0 26.536 53.071 0.29 7.62 2 215.8 57.5
152 4 4 2 26.54 53.079 0.29 7.62 8 68.0 22.8
153 6 0 0 26.586 53.171 0.291 7.59 2 32.5 1.3
154 0 1 6 26.768 53.536 0.292 7.47 4 221.5 118.7
155 1 0 6 26.769 53.538 0.292 7.47 4 240.5 139.9
156 0 6 1 26.926 53.853 0.294 7.37 4 113.0 30.5
157 1 6 0 26.932 53.865 0.294 7.37 4 334.3 266.6
158 6 0 1 26.976 53.952 0.294 7.34 4 74.0 13.0
159 6 1 0 26.98 53.961 0.294 7.34 4 181.4 78.2
160 1 1 6 27.162 54.324 0.296 7.23 8 271.4 344.6
161 2 3 5 27.216 54.431 0.297 7.2 8 322.5 484.6
162 3 2 5 27.223 54.445 0.297 7.19 8 337.7 531.0
163 2 5 3 27.288 54.575 0.298 7.15 8 288.7 386.0
164 5 2 3 27.316 54.632 0.298 7.14 8 236.2 257.7
165 3 5 2 27.317 54.633 0.298 7.13 8 246.9 281.5
166 1 6 1 27.319 54.639 0.298 7.13 8 234.0 252.9
167 5 3 2 27.338 54.677 0.298 7.12 8 294.3 399.4
168 6 1 1 27.367 54.734 0.298 7.11 8 297.7 407.8
169 0 2 6 27.936 55.871 0.304 6.78 4 287.9 182.0
170 2 0 6 27.941 55.882 0.304 6.78 4 300.0 197.5
171 0 6 2 28.077 56.153 0.306 6.7 4 219.8 104.9
172 2 6 0 28.099 56.199 0.306 6.69 4 290.8 183.2
173 6 0 2 28.125 56.249 0.306 6.68 4 372.4 299.8
174 6 2 0 28.142 56.284 0.306 6.67 4 365.8 288.8
175 1 2 6 28.319 56.638 0.308 6.57 8 73.4 23.0
176 2 1 6 28.323 56.646 0.308 6.57 8 241.8 248.8
177 0 4 5 28.366 56.731 0.308 6.55 4 150.7 48.2
178 4 0 5 28.387 56.774 0.309 6.54 4 271.9 156.5
179 0 5 4 28.405 56.81 0.309 6.53 4 176.5 65.9
180 3 4 4 28.417 56.834 0.309 6.52 8 139.3 82.0
181 4 3 4 28.426 56.852 0.309 6.52 8 144.7 88.4
182 5 0 4 28.438 56.876 0.309 6.51 4 191.8 77.6
183 4 4 3 28.457 56.913 0.309 6.5 8 167.7 118.5
184 1 6 2 28.459 56.917 0.309 6.5 8 227.0 216.9
185 2 6 1 28.476 56.951 0.309 6.49 8 103.5 45.1
186 4 5 0 28.496 56.992 0.31 6.48 4 329.7 228.2
187 6 1 2 28.505 57.01 0.31 6.48 8 95.5 38.2
188 5 4 0 28.508 57.016 0.31 6.48 4 123.3 31.9
189 6 2 1 28.518 57.036 0.31 6.47 8 222.7 207.7
190 1 4 5 28.745 57.491 0.312 6.36 8 251.1 259.5
191 4 1 5 28.765 57.53 0.312 6.35 8 350.5 504.6
192 1 5 4 28.784 57.568 0.313 6.34 8 303.9 379.0
193 5 1 4 28.816 57.631 0.313 6.32 8 250.7 257.2
194 4 5 1 28.869 57.738 0.313 6.29 8 213.6 186.0
195 5 4 1 28.881 57.761 0.314 6.29 8 317.2 409.6
196 3 3 5 29.131 58.262 0.316 6.17 8 190.7 145.2
197 3 5 3 29.199 58.399 0.317 6.13 8 160.6 102.4
198 5 3 3 29.22 58.441 0.317 6.13 8 108.2 46.5
199 2 2 6 29.449 58.899 0.319 6.02 8 60.0 14.0
200 2 6 2 29.586 59.172 0.32 5.96 8 154.1 91.6
201 6 2 2 29.627 59.254 0.321 5.94 8 28.8 3.2
202 0 3 6 29.814 59.628 0.323 5.85 4 309.6 181.7
203 3 0 6 29.825 59.651 0.323 5.85 4 248.5 117.0
204 2 4 5 29.866 59.731 0.323 5.83 8 180.0 122.3
205 4 2 5 29.881 59.762 0.323 5.83 8 99.0 37.0
206 2 5 4 29.904 59.807 0.324 5.82 8 23.9 2.1
207 0 6 3 29.928 59.856 0.324 5.8 4 321.7 194.4
208 5 2 4 29.931 59.861 0.324 5.8 8 178.3 119.4
209 4 5 2 29.97 59.939 0.324 5.79 8 123.1 56.8
210 6 0 3 29.974 59.948 0.324 5.78 4 274.5 141.1
211 3 6 0 29.978 59.955 0.324 5.78 4 71.3 9.5
212 5 4 2 29.981 59.962 0.324 5.78 8 207.9 161.8
213 6 3 0 30.012 60.024 0.325 5.77 4 90.0 15.1
214 1 3 6 30.182 60.364 0.326 5.7 8 296.1 323.4
215 3 1 6 30.192 60.384 0.326 5.69 8 100.0 36.8
216 1 6 3 30.295 60.591 0.327 5.65 8 81.9 24.5
217 3 6 1 30.339 60.678 0.328 5.63 8 285.8 297.7
218 6 1 3 30.34 60.68 0.328 5.63 8 278.6 283.0
219 6 3 1 30.373 60.747 0.328 5.62 8 196.1 139.9
220 4 4 4 31.009 62.019 0.334 5.36 8 483.4 811.6
221 2 3 6 31.271 62.541 0.337 5.27 8 109.2 40.6
222 3 2 6 31.277 62.554 0.337 5.26 8 236.1 190.0
223 2 6 3 31.382 62.763 0.338 5.22 8 195.0 128.7
224 3 6 2 31.409 62.817 0.338 5.21 8 95.3 30.7
225 6 2 3 31.422 62.843 0.338 5.21 8 67.3 15.3
226 6 3 2 31.442 62.884 0.339 5.2 8 133.5 60.0
227 0 1 7 31.569 63.139 0.34 5.16 4 89.6 13.4
228 1 0 7 31.571 63.141 0.34 5.16 4 70.7 8.4
229 0 5 5 31.668 63.335 0.341 5.12 4 134.0 29.8
230 3 4 5 31.679 63.357 0.341 5.12 8 104.8 36.4
231 4 3 5 31.687 63.375 0.341 5.11 8 69.8 16.1
232 5 0 5 31.699 63.397 0.341 5.11 4 93.2 14.4
233 3 5 4 31.715 63.431 0.341 5.1 8 121.9 49.1
234 5 3 4 31.735 63.471 0.341 5.1 8 160.5 85.0
235 4 5 3 31.753 63.506 0.342 5.09 8 61.5 12.4
236 5 4 3 31.764 63.528 0.342 5.09 8 103.8 35.5
237 0 7 1 31.766 63.531 0.342 5.09 4 34.5 2.0
238 1 7 0 31.771 63.542 0.342 5.09 4 109.9 19.9
239 5 5 0 31.801 63.601 0.342 5.07 4 124.8 25.6
240 7 0 1 31.826 63.652 0.342 5.07 4 58.1 5.5
241 7 1 0 31.83 63.661 0.342 5.06 4 21.7 0.8
242 1 1 7 31.926 63.851 0.343 5.03 8 107.5 37.6
243 1 5 5 32.023 64.046 0.344 5.0 8 81.4 21.5
244 5 1 5 32.053 64.105 0.344 4.99 8 77.7 19.5
245 1 7 1 32.121 64.241 0.345 4.97 8 54.1 9.4
246 5 5 1 32.15 64.3 0.345 4.96 8 60.7 11.8
247 7 1 1 32.18 64.359 0.346 4.95 8 131.8 55.7
248 0 4 6 32.33 64.659 0.347 4.9 4 98.4 15.3
249 4 0 6 32.349 64.699 0.347 4.89 4 31.0 1.5
250 0 6 4 32.411 64.821 0.348 4.87 4 28.2 1.3
251 6 0 4 32.455 64.909 0.348 4.86 4 131.0 27.0
252 4 6 0 32.495 64.989 0.349 4.84 4 74.4 8.7
253 6 4 0 32.519 65.038 0.349 4.83 4 21.1 0.7
254 0 2 7 32.628 65.256 0.35 4.8 4 277.9 120.0
255 2 0 7 32.633 65.266 0.35 4.8 4 148.0 34.0
256 1 4 6 32.681 65.363 0.351 4.78 8 38.9 4.7
257 4 1 6 32.7 65.399 0.351 4.78 8 21.3 1.4
258 1 6 4 32.762 65.524 0.351 4.76 8 141.3 61.5
259 6 1 4 32.804 65.609 0.352 4.74 8 36.1 4.0
260 0 7 2 32.809 65.617 0.352 4.74 4 16.4 0.4
261 2 7 0 32.83 65.659 0.352 4.74 4 283.6 123.3
262 4 6 1 32.84 65.68 0.352 4.73 8 119.2 43.6
263 6 4 1 32.864 65.729 0.352 4.73 8 126.2 48.8
264 7 0 2 32.868 65.737 0.352 4.72 4 129.3 25.6
265 7 2 0 32.884 65.769 0.352 4.72 4 165.9 42.1
266 1 2 7 32.978 65.956 0.353 4.69 8 214.6 139.8
267 2 1 7 32.982 65.963 0.353 4.69 8 146.4 65.1
268 3 3 6 33.04 66.079 0.354 4.67 8 102.1 31.5
269 2 5 5 33.078 66.155 0.354 4.66 8 158.5 75.8
270 5 2 5 33.103 66.206 0.355 4.65 8 230.1 159.6
271 3 6 3 33.147 66.295 0.355 4.64 8 139.9 58.8
272 1 7 2 33.158 66.315 0.355 4.64 8 129.6 50.4
273 2 7 1 33.173 66.347 0.355 4.63 8 236.3 167.5
274 6 3 3 33.18 66.36 0.355 4.63 8 146.3 64.2
275 5 5 2 33.187 66.373 0.355 4.63 8 186.6 104.4
276 7 1 2 33.216 66.432 0.356 4.62 8 253.0 191.5
277 7 2 1 33.228 66.455 0.356 4.62 8 198.8 118.1
278 2 4 6 33.725 67.45 0.36 4.47 8 180.3 94.1
279 4 2 6 33.739 67.479 0.361 4.47 8 188.8 103.2
280 2 6 4 33.804 67.608 0.361 4.45 8 184.1 97.7
281 6 2 4 33.842 67.685 0.361 4.44 8 201.2 116.5
282 4 6 2 33.866 67.732 0.362 4.44 8 178.0 90.9
283 6 4 2 33.89 67.78 0.362 4.43 8 225.2 145.4
284 2 2 7 34.017 68.034 0.363 4.39 8 120.8 41.5
285 4 4 5 34.126 68.251 0.364 4.37 8 170.7 82.4
286 4 5 4 34.161 68.322 0.364 4.36 8 74.8 15.8
287 5 4 4 34.172 68.344 0.365 4.35 8 148.3 62.0
288 2 7 2 34.194 68.388 0.365 4.35 8 130.2 47.7
289 7 2 2 34.248 68.495 0.365 4.33 8 135.4 51.4
290 0 3 7 34.354 68.708 0.366 4.31 4 75.1 7.9
291 3 0 7 34.365 68.729 0.366 4.3 4 296.7 122.6
292 0 7 3 34.511 69.021 0.368 4.27 4 416.2 239.2
293 3 7 0 34.556 69.113 0.368 4.25 4 2.3 0.0
294 7 0 3 34.569 69.137 0.368 4.25 4 258.7 92.1
295 7 3 0 34.604 69.208 0.369 4.24 4 344.2 162.6
296 1 3 7 34.695 69.39 0.369 4.22 8 103.3 29.1
297 3 1 7 34.705 69.409 0.37 4.22 8 129.2 45.6
298 3 5 5 34.798 69.597 0.37 4.19 8 193.1 101.3
299 5 3 5 34.817 69.634 0.371 4.19 8 156.7 66.6
300 1 7 3 34.851 69.702 0.371 4.18 8 209.3 118.5
301 5 5 3 34.88 69.759 0.371 4.17 8 192.6 100.3
302 3 7 1 34.892 69.784 0.371 4.17 8 202.2 110.4
303 7 1 3 34.908 69.816 0.371 4.17 8 123.3 41.0
304 7 3 1 34.939 69.878 0.372 4.16 8 82.4 18.3
305 0 5 6 35.42 70.84 0.376 4.05 4 4.5 0.0
306 3 4 6 35.431 70.861 0.376 4.04 8 155.5 63.3
307 4 3 6 35.439 70.878 0.376 4.04 8 52.0 7.1
308 5 0 6 35.449 70.899 0.376 4.04 4 137.0 24.5
309 0 6 5 35.463 70.925 0.377 4.04 4 237.1 73.5
310 6 0 5 35.505 71.01 0.377 4.03 4 53.7 3.8
311 3 6 4 35.508 71.016 0.377 4.03 8 151.9 60.1
312 6 3 4 35.54 71.079 0.377 4.02 8 201.8 106.0
313 4 6 3 35.543 71.087 0.377 4.02 8 130.6 44.4
314 6 4 3 35.567 71.133 0.378 4.01 8 30.3 2.4
315 5 6 0 35.589 71.177 0.378 4.01 4 87.4 9.9
316 6 5 0 35.601 71.203 0.378 4.01 4 61.1 4.8
317 2 3 7 35.71 71.421 0.379 3.98 8 131.4 44.5
318 3 2 7 35.716 71.432 0.379 3.98 8 86.9 19.5
319 1 5 6 35.757 71.514 0.379 3.97 8 174.8 78.6
320 5 1 6 35.785 71.57 0.38 3.97 8 136.7 48.0
321 1 6 5 35.799 71.599 0.38 3.96 8 153.9 60.8
322 6 1 5 35.84 71.68 0.38 3.95 8 148.7 56.6
323 2 7 3 35.864 71.729 0.38 3.95 8 84.1 18.1
324 3 7 2 35.889 71.779 0.381 3.94 8 202.3 104.5
325 7 2 3 35.917 71.834 0.381 3.94 8 186.6 88.8
326 5 6 1 35.92 71.839 0.381 3.94 8 211.3 113.8
327 6 5 1 35.932 71.865 0.381 3.93 8 135.5 46.7
328 7 3 2 35.936 71.872 0.381 3.93 8 187.8 89.8
329 0 0 8 36.316 72.632 0.384 3.85 2 351.9 77.2
330 0 8 0 36.561 73.121 0.387 3.8 2 270.0 44.9
331 8 0 0 36.635 73.269 0.387 3.79 2 444.7 121.3
332 0 1 8 36.648 73.296 0.387 3.79 4 187.2 43.0
333 1 0 8 36.649 73.299 0.387 3.79 4 41.3 2.1
334 0 4 7 36.705 73.411 0.388 3.78 4 88.2 9.5
335 4 0 7 36.724 73.448 0.388 3.77 4 219.8 59.0
336 2 5 6 36.76 73.519 0.388 3.77 8 137.0 45.7
337 5 2 6 36.784 73.568 0.389 3.76 8 184.1 82.6
338 2 6 5 36.801 73.603 0.389 3.76 8 231.5 130.4
339 0 7 4 36.831 73.662 0.389 3.75 4 44.3 2.4
340 6 2 5 36.838 73.677 0.389 3.75 8 97.3 23.0
341 7 0 4 36.888 73.775 0.39 3.74 4 11.8 0.2
342 0 8 1 36.888 73.776 0.39 3.74 4 215.2 56.1
343 1 8 0 36.893 73.786 0.39 3.74 4 150.8 27.5
344 5 6 2 36.906 73.811 0.39 3.74 8 59.2 8.5
345 4 7 0 36.91 73.821 0.39 3.74 4 245.5 72.9
346 6 5 2 36.918 73.837 0.39 3.74 8 215.9 112.7
347 7 4 0 36.949 73.897 0.39 3.73 4 211.8 54.1
348 8 0 1 36.962 73.924 0.39 3.73 4 86.2 9.0
349 8 1 0 36.966 73.932 0.39 3.73 4 10.8 0.1
350 1 1 8 36.98 73.961 0.39 3.72 8 19.3 0.9
351 1 4 7 37.037 74.075 0.391 3.71 8 219.9 116.3
352 4 1 7 37.055 74.11 0.391 3.71 8 72.8 12.7
353 4 5 5 37.146 74.292 0.392 3.69 8 171.5 70.3
354 5 4 5 37.156 74.312 0.392 3.69 8 84.8 17.2
355 1 7 4 37.163 74.326 0.392 3.69 8 18.3 0.8
356 5 5 4 37.19 74.381 0.392 3.68 8 108.4 28.0
357 7 1 4 37.218 74.436 0.393 3.68 8 98.7 23.2
358 1 8 1 37.22 74.439 0.393 3.68 8 129.0 39.6
359 4 7 1 37.237 74.474 0.393 3.68 8 85.4 17.3
360 7 4 1 37.275 74.55 0.393 3.67 8 48.2 5.5
361 8 1 1 37.292 74.584 0.393 3.67 8 32.2 2.5
362 3 3 7 37.376 74.753 0.394 3.65 8 256.1 155.0
363 3 7 3 37.528 75.056 0.395 3.62 8 225.2 119.0
364 7 3 3 37.574 75.147 0.396 3.62 8 205.8 99.1
365 0 2 8 37.638 75.277 0.396 3.6 4 75.1 6.6
366 2 0 8 37.643 75.286 0.396 3.6 4 30.3 1.1
367 4 4 6 37.762 75.525 0.398 3.58 8 75.6 13.3
368 4 6 4 37.838 75.675 0.398 3.57 8 91.8 19.5
369 6 4 4 37.861 75.721 0.398 3.57 8 60.5 8.5
370 0 8 2 37.865 75.729 0.398 3.57 4 101.7 11.9
371 2 8 0 37.884 75.769 0.399 3.56 4 65.2 4.9
372 8 0 2 37.938 75.876 0.399 3.55 4 55.1 3.5
373 8 2 0 37.953 75.906 0.399 3.55 4 1.0 0.0
374 1 2 8 37.967 75.935 0.399 3.55 8 69.0 10.9
375 2 1 8 37.971 75.942 0.399 3.55 8 163.9 61.7
376 2 4 7 38.027 76.055 0.4 3.54 8 242.5 134.7
377 4 2 7 38.041 76.082 0.4 3.54 8 13.9 0.4
378 2 7 4 38.151 76.303 0.401 3.52 8 67.5 10.4
379 1 8 2 38.193 76.386 0.401 3.51 8 206.3 96.8
380 7 2 4 38.203 76.405 0.401 3.51 8 212.2 102.4
381 2 8 1 38.208 76.416 0.401 3.51 8 79.5 14.4
382 4 7 2 38.21 76.42 0.402 3.51 8 303.5 209.2
383 7 4 2 38.248 76.496 0.402 3.5 8 70.5 11.3
384 8 1 2 38.265 76.53 0.402 3.5 8 38.4 3.3
385 8 2 1 38.276 76.552 0.402 3.5 8 128.5 37.4
386 3 5 6 38.409 76.817 0.403 3.48 8 190.9 82.1
387 5 3 6 38.427 76.854 0.403 3.48 8 152.0 52.0
388 3 6 5 38.45 76.9 0.404 3.47 8 150.9 51.2
389 6 3 5 38.481 76.961 0.404 3.47 8 236.6 125.7
390 5 6 3 38.528 77.056 0.404 3.46 8 252.0 142.3
391 6 5 3 38.541 77.081 0.404 3.46 8 167.4 62.7
392 2 2 8 38.949 77.898 0.408 3.4 8 273.9 165.0
393 0 6 6 39.049 78.098 0.409 3.38 4 295.6 95.7
394 6 0 6 39.09 78.18 0.409 3.38 4 294.0 94.5
395 2 8 2 39.173 78.346 0.41 3.36 8 178.4 69.4
396 6 6 0 39.224 78.449 0.41 3.36 4 303.2 99.9
397 8 2 2 39.241 78.482 0.411 3.36 8 284.0 175.2
398 0 3 8 39.269 78.538 0.411 3.35 4 31.3 1.1
399 3 0 8 39.279 78.559 0.411 3.35 4 177.0 34.0
400 1 6 6 39.375 78.749 0.412 3.34 8 154.3 51.4
401 6 1 6 39.414 78.828 0.412 3.33 8 188.4 76.5
402 0 8 3 39.474 78.948 0.413 3.32 4 152.9 25.1
403 3 8 0 39.518 79.035 0.413 3.32 4 186.6 37.4
404 6 6 1 39.544 79.089 0.413 3.31 8 75.8 12.3
405 8 0 3 39.546 79.093 0.413 3.31 4 86.7 8.1
406 8 3 0 39.58 79.16 0.414 3.31 4 101.1 10.9
407 1 3 8 39.594 79.188 0.414 3.31 8 208.4 93.0
408 3 1 8 39.603 79.206 0.414 3.31 8 214.2 98.2
409 0 5 7 39.649 79.297 0.414 3.3 4 175.3 32.8
410 3 4 7 39.659 79.318 0.414 3.3 8 103.6 22.9
411 4 3 7 39.667 79.333 0.414 3.3 8 384.8 316.1
412 5 0 7 39.677 79.354 0.414 3.3 4 186.1 37.0
413 0 7 5 39.738 79.476 0.415 3.29 4 77.5 6.4
414 3 7 4 39.781 79.563 0.415 3.28 8 333.8 236.9
415 7 0 5 39.793 79.586 0.415 3.28 4 195.1 40.4
416 1 8 3 39.798 79.597 0.415 3.28 8 98.0 20.4
417 4 7 3 39.815 79.631 0.416 3.28 8 108.2 24.8
418 7 3 4 39.827 79.653 0.416 3.28 8 186.1 73.5
419 3 8 1 39.837 79.674 0.416 3.28 8 209.0 92.7
420 7 4 3 39.853 79.705 0.416 3.27 8 301.5 192.7
421 5 7 0 39.859 79.718 0.416 3.27 4 133.2 18.8
422 8 1 3 39.869 79.739 0.416 3.27 8 190.3 76.7
423 7 5 0 39.886 79.772 0.416 3.27 4 135.6 19.5
424 8 3 1 39.899 79.798 0.416 3.27 8 201.1 85.6
425 1 5 7 39.973 79.946 0.417 3.26 8 203.1 87.0
426 5 1 7 40.0 80.0 0.417 3.25 8 80.2 13.6
427 1 7 5 40.062 80.124 0.418 3.25 8 88.9 16.6
428 5 5 5 40.089 80.178 0.418 3.24 8 273.5 157.1
429 7 1 5 40.116 80.232 0.418 3.24 8 151.5 48.1
430 5 7 1 40.178 80.355 0.419 3.23 8 77.6 12.6
431 7 5 1 40.205 80.409 0.419 3.23 8 238.3 118.7
432 2 6 6 40.347 80.693 0.42 3.21 8 180.8 67.9
433 6 2 6 40.382 80.765 0.421 3.21 8 36.5 2.8
434 6 6 2 40.501 81.002 0.422 3.19 8 113.0 26.4
435 2 3 8 40.565 81.129 0.422 3.19 8 83.8 14.5
436 3 2 8 40.57 81.141 0.422 3.19 8 189.3 73.9
437 4 5 6 40.682 81.363 0.423 3.17 8 42.0 3.6
438 5 4 6 40.692 81.383 0.423 3.17 8 88.8 16.2
439 4 6 5 40.722 81.445 0.423 3.17 8 94.8 18.4
440 6 4 5 40.745 81.489 0.424 3.17 8 131.4 35.4
441 5 6 4 40.766 81.531 0.424 3.16 8 76.1 11.9
442 2 8 3 40.768 81.536 0.424 3.16 8 173.5 61.7
443 6 5 4 40.778 81.556 0.424 3.16 8 121.9 30.4
444 3 8 2 40.792 81.584 0.424 3.16 8 38.9 3.1
445 8 2 3 40.835 81.67 0.424 3.16 8 93.8 18.0
446 8 3 2 40.854 81.707 0.425 3.15 8 167.5 57.3
447 2 5 7 40.941 81.883 0.425 3.14 8 253.7 131.0
448 5 2 7 40.965 81.93 0.426 3.14 8 221.2 99.5
449 2 7 5 41.03 82.06 0.426 3.13 8 228.4 105.9
450 7 2 5 41.08 82.16 0.427 3.13 8 273.1 151.1
451 5 7 2 41.131 82.261 0.427 3.12 8 234.2 110.9
452 7 5 2 41.158 82.315 0.427 3.12 8 171.3 59.3
453 0 4 8 41.522 83.045 0.43 3.08 4 35.1 1.2
454 4 0 8 41.54 83.08 0.43 3.08 4 41.7 1.7
455 0 8 4 41.699 83.398 0.432 3.07 4 80.4 6.4
456 8 0 4 41.77 83.541 0.432 3.06 4 106.7 11.3
457 4 8 0 41.776 83.551 0.432 3.06 4 17.2 0.3
458 8 4 0 41.829 83.658 0.433 3.05 4 40.6 1.6
459 1 4 8 41.843 83.687 0.433 3.05 8 208.8 86.1
460 4 1 8 41.86 83.72 0.433 3.05 8 126.5 31.6
461 4 4 7 41.915 83.83 0.434 3.05 8 100.0 19.7
462 3 6 6 41.955 83.91 0.434 3.04 8 82.9 13.6
463 6 3 6 41.985 83.97 0.434 3.04 8 27.1 1.4
464 1 8 4 42.02 84.039 0.435 3.04 8 15.9 0.5
465 4 7 4 42.036 84.073 0.435 3.03 8 28.8 1.6
466 7 4 4 42.073 84.146 0.435 3.03 8 128.6 32.5
467 6 6 3 42.084 84.169 0.435 3.03 8 159.2 49.7
468 8 1 4 42.09 84.18 0.435 3.03 8 222.2 96.8
469 4 8 1 42.091 84.183 0.435 3.03 8 115.5 26.2
470 0 1 9 42.099 84.198 0.435 3.03 4 178.1 31.1
471 1 0 9 42.1 84.201 0.435 3.03 4 63.0 3.9
472 8 4 1 42.145 84.29 0.436 3.03 8 100.2 19.7
473 3 3 8 42.172 84.343 0.436 3.02 8 69.8 9.5
474 3 8 3 42.373 84.747 0.437 3.01 8 128.3 32.0
475 0 9 1 42.393 84.786 0.438 3.0 4 162.2 25.6
476 1 9 0 42.398 84.795 0.438 3.0 4 196.0 37.3
477 1 1 9 42.419 84.839 0.438 3.0 8 294.7 168.7
478 8 3 3 42.435 84.869 0.438 3.0 8 31.0 1.9
479 9 0 1 42.483 84.966 0.438 3.0 4 69.6 4.7
480 9 1 0 42.487 84.973 0.438 3.0 4 24.1 0.6
481 3 5 7 42.546 85.091 0.439 2.99 8 62.0 7.4
482 5 3 7 42.563 85.127 0.439 2.99 8 218.8 92.6
483 3 7 5 42.634 85.267 0.44 2.98 8 152.9 45.2
484 7 3 5 42.678 85.356 0.44 2.98 8 133.5 34.4
485 5 7 3 42.71 85.42 0.44 2.98 8 205.0 81.0
486 1 9 1 42.713 85.425 0.44 2.98 8 196.1 74.1
487 7 5 3 42.737 85.473 0.441 2.97 8 80.0 12.3
488 9 1 1 42.802 85.603 0.441 2.97 8 242.4 113.0
489 2 4 8 42.804 85.608 0.441 2.97 8 134.8 35.0
490 4 2 8 42.817 85.634 0.441 2.97 8 62.7 7.6
491 2 8 4 42.98 85.959 0.443 2.96 8 208.0 82.8
492 4 8 2 43.037 86.074 0.443 2.95 8 151.2 43.7
493 8 2 4 43.046 86.093 0.443 2.95 8 26.9 1.4
494 0 2 9 43.056 86.111 0.443 2.95 4 85.3 7.0
495 2 0 9 43.06 86.12 0.443 2.95 4 179.6 30.8
496 8 4 2 43.09 86.18 0.443 2.95 8 191.5 70.0
497 0 6 7 43.173 86.345 0.444 2.94 4 75.7 5.5
498 6 0 7 43.213 86.425 0.444 2.94 4 96.3 8.8
499 0 7 6 43.22 86.441 0.445 2.94 4 75.8 5.5
500 7 0 6 43.275 86.549 0.445 2.93 4 238.6 54.1
501 0 9 2 43.337 86.675 0.445 2.93 4 112.3 12.0
502 2 9 0 43.357 86.713 0.446 2.93 4 157.7 23.6
503 1 2 9 43.375 86.75 0.446 2.93 8 167.8 53.3
504 2 1 9 43.378 86.757 0.446 2.93 8 171.1 55.5
505 6 7 0 43.392 86.784 0.446 2.93 4 286.1 77.5
506 7 6 0 43.406 86.813 0.446 2.92 4 175.2 29.1
507 9 0 2 43.427 86.855 0.446 2.92 4 65.0 4.0
508 9 2 0 43.442 86.884 0.446 2.92 4 93.0 8.2
509 1 6 7 43.492 86.984 0.447 2.92 8 48.1 4.4
510 6 1 7 43.531 87.062 0.447 2.92 8 162.2 49.6
511 1 7 6 43.54 87.079 0.447 2.91 8 203.9 78.5
512 5 5 6 43.566 87.132 0.447 2.91 8 217.8 89.4
513 7 1 6 43.593 87.186 0.448 2.91 8 101.9 19.6
514 5 6 5 43.606 87.213 0.448 2.91 8 169.6 54.2
515 6 5 5 43.619 87.237 0.448 2.91 8 118.8 26.6
516 1 9 2 43.657 87.313 0.448 2.91 8 191.0 68.7
517 2 9 1 43.671 87.342 0.448 2.91 8 166.8 52.4
518 6 7 1 43.706 87.413 0.449 2.9 8 112.6 23.8
519 7 6 1 43.721 87.442 0.449 2.9 8 103.9 20.3
520 9 1 2 43.745 87.491 0.449 2.9 8 251.5 118.7
521 9 2 1 43.756 87.513 0.449 2.9 8 247.3 114.8
522 4 6 6 44.192 88.384 0.452 2.87 8 232.7 100.7
523 6 4 6 44.214 88.428 0.453 2.87 8 198.7 73.4
524 6 6 4 44.287 88.575 0.453 2.87 8 190.2 67.2
525 2 2 9 44.332 88.664 0.454 2.86 8 252.3 118.0
526 0 5 8 44.39 88.78 0.454 2.86 4 16.8 0.3
527 3 4 8 44.4 88.8 0.454 2.86 8 30.4 1.7
528 4 3 8 44.408 88.815 0.454 2.86 8 192.9 68.9
529 5 0 8 44.417 88.835 0.454 2.86 4 295.6 80.9
530 2 6 7 44.449 88.898 0.455 2.86 8 95.8 17.0
531 6 2 7 44.484 88.969 0.455 2.86 8 121.1 27.1
532 2 7 6 44.497 88.993 0.455 2.85 8 103.8 19.9
533 0 8 5 44.532 89.065 0.455 2.85 4 152.7 21.5
534 7 2 6 44.546 89.093 0.455 2.85 8 40.1 3.0
535 3 8 4 44.575 89.15 0.456 2.85 8 130.3 31.3
536 8 0 5 44.603 89.206 0.456 2.85 4 81.0 6.1
537 4 8 3 44.608 89.217 0.456 2.85 8 47.4 4.1
538 2 9 2 44.613 89.227 0.456 2.85 8 202.5 75.6
539 8 3 4 44.636 89.272 0.456 2.85 8 59.8 6.6
540 0 3 9 44.645 89.291 0.456 2.85 4 42.7 1.7
541 6 7 2 44.649 89.298 0.456 2.85 8 50.0 4.6
542 5 8 0 44.651 89.303 0.456 2.85 4 270.4 67.4
543 3 0 9 44.655 89.311 0.456 2.85 4 47.8 2.1
544 8 4 3 44.662 89.323 0.456 2.85 8 173.5 55.5
545 7 6 2 44.663 89.327 0.456 2.85 8 148.4 40.6
546 8 5 0 44.695 89.389 0.457 2.84 4 99.0 9.0
547 9 2 2 44.699 89.398 0.457 2.84 8 156.4 45.0
548 1 5 8 44.709 89.417 0.457 2.84 8 143.6 38.0
549 5 1 8 44.735 89.47 0.457 2.84 8 229.5 96.9
550 4 5 7 44.78 89.56 0.457 2.84 8 61.8 7.0
551 5 4 7 44.79 89.58 0.457 2.84 8 43.9 3.5
552 1 8 5 44.851 89.702 0.458 2.84 8 213.3 83.5
553 4 7 5 44.868 89.735 0.458 2.84 8 68.1 8.5
554 7 4 5 44.904 89.809 0.458 2.83 8 204.8 77.0
555 0 9 3 44.908 89.817 0.458 2.83 4 82.0 6.2
556 5 7 4 44.911 89.821 0.458 2.83 8 205.1 77.2
557 8 1 5 44.921 89.842 0.458 2.83 8 236.9 102.9
558 7 5 4 44.937 89.874 0.458 2.83 8 170.5 53.3
559 3 9 0 44.951 89.902 0.459 2.83 4 20.2 0.4
560 1 3 9 44.964 89.928 0.459 2.83 8 122.4 27.4
561 5 8 1 44.965 89.931 0.459 2.83 8 177.2 57.5
562 3 1 9 44.973 89.946 0.459 2.83 8 38.6 2.7
563 9 0 3 44.998 89.996 0.459 2.83 4 183.2 30.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 1 1 7.4 14.8 5.98068 1260.8 11.5 11.6 5.6
2 0 2 1 9.573 19.146 4.63175 121.2 1.1 1.1 5.6
3 1 1 2 10.471 20.942 4.23837 1621.6 14.7 14.8 5.6
4 2 1 1 10.511 21.022 4.22246 2696.7 24.5 24.6 5.6
5 0 2 2 12.122 24.244 3.66807 1833.4 16.7 16.7 5.6
6 2 2 0 12.168 24.337 3.65432 966.2 8.8 8.8 5.6
7 1 2 2 12.876 25.753 3.45651 343.1 3.1 3.1 5.6
8 2 2 1 12.909 25.819 3.44786 341.5 3.1 3.1 5.6
9 0 1 3 13.547 27.094 3.28844 4916.4 44.7 44.7 5.6
10 3 0 1 13.633 27.265 3.26813 11007.2 100.0 100.0 5.6
11 1 1 3 14.231 28.462 3.13341 859.2 7.8 7.8 5.6
12 1 3 1 14.292 28.584 3.12027 1350.8 12.3 12.3 5.6
13 0 3 2 15.545 31.09 2.87428 1354.6 12.3 12.3 5.6
14 3 2 0 15.592 31.185 2.86573 229.4 2.1 2.1 5.6
15 1 2 3 16.117 32.234 2.77475 3616.8 32.9 32.7 5.6
16 2 3 1 16.178 32.356 2.76458 6059.4 55.0 54.8 5.6
17 0 1 4 17.778 35.557 2.52272 512.1 4.7 4.6 5.7
18 2 2 3 17.83 35.66 2.51566 143.8 1.3 1.3 5.7
19 1 4 0 17.881 35.761 2.50877 892.2 8.1 8.0 5.7
20 3 1 3 18.902 37.803 2.37782 519.5 4.7 4.7 5.7
21 3 3 1 18.949 37.898 2.37206 185.9 1.7 1.7 5.7
22 0 2 4 19.357 38.714 2.32393 118.4 1.1 1.1 5.7
23 2 4 0 19.458 38.915 2.31241 115.4 1.0 1.0 5.7
24 2 1 4 19.867 39.733 2.26666 302.3 2.7 2.7 5.7
25 4 1 2 19.956 39.912 2.25694 739.5 6.7 6.6 5.7
26 3 2 3 20.406 40.812 2.20918 1072.5 9.7 9.6 5.7
27 2 2 4 21.314 42.628 2.11918 854.6 7.8 7.7 5.7
28 4 2 2 21.398 42.797 2.11123 2978.3 27.1 26.7 5.7
29 3 0 4 21.787 43.574 2.07534 243.7 2.2 2.2 5.7
30 1 0 5 22.184 44.369 2.03999 753.5 6.8 6.7 5.7
31 1 4 3 22.268 44.536 2.03273 3145.7 28.6 28.1 5.7
32 4 3 1 22.333 44.666 2.02709 2862.7 26.0 25.6 5.7
33 1 5 1 22.758 45.516 1.99119 289.8 2.6 2.6 5.7
34 2 3 4 23.566 47.131 1.92667 507.0 4.6 4.5 5.7
35 3 4 2 23.633 47.266 1.9215 883.2 8.0 7.9 5.7
36 1 2 5 23.947 47.894 1.89773 144.2 1.3 1.3 5.7
37 2 5 1 24.07 48.139 1.88865 426.9 3.9 3.8 5.7
38 1 4 4 25.25 50.499 1.80578 373.7 3.4 3.3 5.8
39 2 5 2 25.311 50.622 1.80171 141.9 1.3 1.3 5.8
40 4 4 1 25.342 50.684 1.79963 260.5 2.4 2.3 5.8
41 3 0 5 25.628 51.256 1.78087 112.2 1.0 1.0 5.8
42 3 3 4 25.67 51.341 1.77815 127.8 1.2 1.1 5.8
43 1 3 5 26.022 52.044 1.75576 140.1 1.3 1.2 5.8
44 1 0 6 26.769 53.538 1.71022 258.6 2.3 2.3 5.8
45 1 6 0 26.932 53.865 1.70063 297.1 2.7 2.6 5.8
46 1 1 6 27.162 54.324 1.68732 344.6 3.1 3.0 5.8
47 3 2 5 27.223 54.445 1.68386 1015.6 9.2 9.0 5.8
48 2 5 3 27.288 54.575 1.68016 643.7 5.8 5.7 5.8
49 5 3 2 27.338 54.677 1.67727 1341.5 12.2 11.8 5.8
50 2 0 6 27.941 55.882 1.64393 379.4 3.4 3.3 5.8
51 6 0 2 28.125 56.249 1.63406 876.7 8.0 7.7 5.8
52 2 1 6 28.323 56.646 1.62356 271.7 2.5 2.4 5.8
53 4 0 5 28.387 56.774 1.6202 204.7 1.9 1.8 5.8
54 4 3 4 28.426 56.852 1.61815 236.2 2.1 2.1 5.8
55 1 6 2 28.459 56.917 1.61646 413.0 3.8 3.6 5.8
56 6 2 1 28.518 57.036 1.61337 551.1 5.0 4.9 5.8
57 4 1 5 28.765 57.53 1.60069 1143.1 10.4 10.1 5.8
58 5 1 4 28.816 57.631 1.59811 257.2 2.3 2.3 5.8
59 5 4 1 28.881 57.761 1.59483 595.6 5.4 5.2 5.8
60 3 3 5 29.131 58.262 1.58232 145.2 1.3 1.3 5.8
61 3 5 3 29.199 58.399 1.57892 148.9 1.4 1.3 5.8
62 0 3 6 29.814 59.628 1.54928 298.7 2.7 2.6 5.8
63 2 4 5 29.866 59.731 1.54685 159.3 1.4 1.4 5.8
64 5 2 4 29.931 59.861 1.5438 316.0 2.9 2.8 5.8
65 5 4 2 29.981 59.962 1.54144 369.2 3.4 3.2 5.8
66 1 3 6 30.182 60.364 1.53214 360.2 3.3 3.2 5.8
67 3 6 1 30.339 60.678 1.52496 580.7 5.3 5.1 5.8
68 6 3 1 30.373 60.747 1.5234 139.9 1.3 1.2 5.8
69 4 4 4 31.009 62.019 1.49517 811.6 7.4 7.1 5.8
70 3 2 6 31.277 62.554 1.48366 230.6 2.1 2.0 5.8
71 2 6 3 31.382 62.763 1.47921 159.4 1.4 1.4 5.9
72 5 3 4 31.735 63.471 1.46442 196.5 1.8 1.7 5.9
73 0 2 7 32.628 65.256 1.42861 154.0 1.4 1.3 5.9
74 2 7 0 32.83 65.659 1.42081 127.7 1.2 1.1 5.9
75 6 4 1 32.864 65.729 1.41947 160.0 1.5 1.4 5.9
76 1 2 7 32.978 65.956 1.41513 204.9 1.9 1.8 5.9
77 5 2 5 33.103 66.206 1.41039 235.4 2.1 2.0 5.9
78 2 7 1 33.173 66.347 1.40774 445.3 4.0 3.9 5.9
79 7 1 2 33.216 66.432 1.40615 309.6 2.8 2.7 5.9
80 4 2 6 33.739 67.479 1.38685 197.3 1.8 1.7 5.9
81 6 2 4 33.842 67.685 1.38313 207.4 1.9 1.8 5.9
82 6 4 2 33.89 67.78 1.38143 145.4 1.3 1.3 5.9
83 5 4 4 34.172 68.344 1.37139 125.4 1.1 1.1 5.9
84 3 0 7 34.365 68.729 1.36464 130.5 1.2 1.1 5.9
85 0 7 3 34.511 69.021 1.35958 239.2 2.2 2.1 5.9
86 7 3 0 34.604 69.208 1.35637 162.6 1.5 1.4 5.9
87 3 5 5 34.798 69.597 1.34974 167.9 1.5 1.4 5.9
88 1 7 3 34.851 69.702 1.34795 218.8 2.0 1.9 5.9
89 3 7 1 34.892 69.784 1.34658 151.5 1.4 1.3 5.9
90 6 3 4 35.54 71.079 1.32518 152.7 1.4 1.3 5.9
91 1 5 6 35.757 71.514 1.31819 126.5 1.1 1.1 5.9
92 3 7 2 35.889 71.779 1.31397 193.2 1.8 1.7 5.9
93 5 6 1 35.92 71.839 1.31301 250.3 2.3 2.2 5.9
94 8 0 0 36.635 73.269 1.29087 166.3 1.5 1.4 6.0
95 2 6 5 36.801 73.603 1.28585 261.1 2.4 2.2 6.0
96 4 7 0 36.91 73.821 1.28259 277.7 2.5 2.4 6.0
97 1 4 7 37.037 74.075 1.27882 129.0 1.2 1.1 6.0
98 3 3 7 37.376 74.753 1.26889 155.0 1.4 1.3 6.0
99 3 7 3 37.528 75.056 1.26452 119.0 1.1 1.0 6.0
100 2 4 7 38.027 76.055 1.25038 135.2 1.2 1.2 6.0
101 4 7 2 38.21 76.42 1.2453 422.8 3.8 3.6 6.0
102 3 5 6 38.409 76.817 1.23986 134.1 1.2 1.1 6.0
103 6 3 5 38.481 76.961 1.2379 125.7 1.1 1.1 6.0
104 5 6 3 38.528 77.056 1.23661 205.0 1.9 1.7 6.0
105 2 2 8 38.949 77.898 1.22533 165.0 1.5 1.4 6.0
106 8 2 2 39.241 78.482 1.21767 275.1 2.5 2.3 6.0
107 3 1 8 39.603 79.206 1.20835 202.2 1.8 1.7 6.0
108 5 0 7 39.677 79.354 1.20647 408.8 3.7 3.5 6.0
109 3 7 4 39.781 79.563 1.20382 297.7 2.7 2.5 6.0
110 7 4 3 39.853 79.705 1.20203 479.1 4.4 4.1 6.0
111 5 5 5 40.089 80.178 1.19614 221.9 2.0 1.9 6.0
112 7 5 1 40.205 80.409 1.19327 131.3 1.2 1.1 6.0
113 2 5 7 40.941 81.883 1.17549 230.6 2.1 1.9 6.1
114 7 2 5 41.08 82.16 1.17222 151.1 1.4 1.3 6.1
115 5 7 2 41.131 82.261 1.17103 170.2 1.5 1.4 6.1
116 1 4 8 41.843 83.687 1.15468 119.4 1.1 1.0 6.1
117 8 1 4 42.09 84.18 1.14917 240.2 2.2 2.0 6.1
118 1 1 9 42.419 84.839 1.14191 265.5 2.4 2.2 6.1
119 5 7 3 42.71 85.42 1.13562 167.5 1.5 1.4 6.1
120 9 1 1 42.802 85.603 1.13366 155.5 1.4 1.3 6.1
121 6 7 0 43.392 86.784 1.12124 219.4 2.0 1.8 6.1
122 1 7 6 43.54 87.079 1.1182 237.1 2.2 2.0 6.1
123 1 9 2 43.657 87.313 1.11581 121.0 1.1 1.0 6.2
124 9 1 2 43.745 87.491 1.114 233.6 2.1 1.9 6.2
125 4 6 6 44.192 88.384 1.10503 174.1 1.6 1.4 6.2
126 2 2 9 44.332 88.664 1.10226 118.0 1.1 1.0 6.2
127 5 0 8 44.417 88.835 1.10059 151.5 1.4 1.3 6.2
128 7 6 2 44.663 89.327 1.0958 258.2 2.3 2.1 6.2
129 5 1 8 44.735 89.47 1.09441 189.0 1.7 1.6 6.2
130 8 1 5 44.921 89.842 1.09085 263.2 2.4 2.2 6.2
131 5 8 1 44.965 89.931 1.09 138.6 1.3 1.1 6.2
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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