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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LEUCITE
3, f-feldspathoid, sf-leucite
K[AlSi(2)O(6)]
Tetragonal * I4(1)/a Z = 16
*I4(1)/a
11 .2 .1992
Ref.Str.:
Winkler B., Dove M.T., Leslie M. (1991)
* Amer. Mineral., 76, 313-331
Reserv:
Calc.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.9884 alpha = 90.0
b = 12.9884 beta = 90.0
c = 13.8 gamma = 90.0
Unit cell volume (cub. angs.) = 2328.04
Molar volume ( cub.cm/mol.) = 87.64
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0563 0.3971 0.1671 0.0 Si = 0.67, Al = 0.33
2 0.1668 0.6115 0.1269 0.0 Si = 0.67, Al = 0.33
3 0.3929 0.6407 0.0848 0.0 Si = 0.67, Al = 0.33
4 0.1327 0.3162 0.1097 0.0 O = 1.00
5 0.0881 0.5135 0.1329 0.0 O = 1.00
6 0.1459 0.6819 0.2257 0.0 O = 1.00
7 0.1325 0.6857 0.0359 0.0 O = 1.00
8 0.2894 0.5733 0.1183 0.0 O = 1.00
9 0.4839 0.6161 0.1658 0.0 O = 1.00
10 0.3659 0.3631 0.1073 0.0 K = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0563 0.3971 0.1671
2 2 0.1668 0.6115 0.1269
3 3 0.3929 0.6407 0.0848
4 4 0.1327 0.3162 0.1097
5 5 0.0881 0.5135 0.1329
6 6 0.1459 0.6819 0.2257
7 7 0.1325 0.6857 0.0359
8 8 0.2894 0.5733 0.1183
9 9 0.4839 0.6161 0.1658
10 10 0.3659 0.3631 0.1073
11 1 0.9437 0.6029 0.8329
12 2 0.8332 0.3885 0.8731
13 3 0.6071 0.3593 0.9152
14 4 0.8673 0.6838 0.8903
15 5 0.9119 0.4865 0.8671
16 6 0.8541 0.3181 0.7743
17 7 0.8675 0.3143 0.9641
18 8 0.7106 0.4267 0.8817
19 9 0.5161 0.3839 0.8342
20 10 0.6341 0.6369 0.8927
21 1 0.4437 0.1029 0.3329
22 2 0.3332 0.8885 0.3731
23 3 0.1071 0.8593 0.4152
24 4 0.3673 0.1838 0.3903
25 5 0.4119 0.9865 0.3671
26 6 0.3541 0.8181 0.2743
27 7 0.3675 0.8143 0.4641
28 8 0.2106 0.9267 0.3817
29 9 0.0161 0.8839 0.3342
30 10 0.1341 0.1369 0.3927
31 1 0.5563 0.8971 0.6671
32 2 0.6668 0.1115 0.6269
33 3 0.8929 0.1407 0.5848
34 4 0.6327 0.8162 0.6097
35 5 0.5881 0.0135 0.6329
36 6 0.6459 0.1819 0.7257
37 7 0.6325 0.1857 0.5359
38 8 0.7894 0.0733 0.6183
39 9 0.9839 0.1161 0.6658
40 10 0.8659 0.8631 0.6073
41 1 0.3529 0.3063 0.4171
42 1 0.4437 0.6029 0.6671
43 1 0.1471 0.6937 0.9171
44 2 0.1385 0.4168 0.3769
45 2 0.3332 0.3885 0.6269
46 2 0.3615 0.5832 0.8769
47 3 0.1093 0.6429 0.3348
48 3 0.1071 0.3593 0.5848
49 3 0.3907 0.3571 0.8348
50 4 0.4338 0.3827 0.3597
51 4 0.3673 0.6838 0.6097
52 4 0.0662 0.6173 0.8597
53 5 0.2365 0.3381 0.3829
54 5 0.4119 0.4865 0.6329
55 5 0.2635 0.6619 0.8829
56 6 0.0681 0.3959 0.4757
57 6 0.3541 0.3181 0.7257
58 6 0.4319 0.6041 0.9757
59 7 0.0643 0.3825 0.2859
60 7 0.3675 0.3143 0.5359
61 7 0.4357 0.6175 0.7859
62 8 0.1767 0.5394 0.3683
63 8 0.2106 0.4267 0.6183
64 8 0.3233 0.4606 0.8683
65 9 0.1339 0.7339 0.4158
66 9 0.0161 0.3839 0.6658
67 9 0.3661 0.2661 0.9158
68 10 0.3869 0.6159 0.3573
69 10 0.1341 0.6369 0.6073
70 10 0.1131 0.3841 0.8573
71 1 0.1471 0.1937 0.0829
72 1 0.5563 0.3971 0.3329
73 1 0.3529 0.8063 0.5829
74 2 0.3615 0.0832 0.1231
75 2 0.6668 0.6115 0.3731
76 2 0.1385 0.9168 0.6231
77 3 0.3907 0.8571 0.1652
78 3 0.8929 0.6407 0.4152
79 3 0.1093 0.1429 0.6652
80 4 0.0662 0.1173 0.1403
81 4 0.6327 0.3162 0.3903
82 4 0.4338 0.8827 0.6403
83 5 0.2635 0.1619 0.1171
84 5 0.5881 0.5135 0.3671
85 5 0.2365 0.8381 0.6171
86 6 0.4319 0.1041 0.0243
87 6 0.6459 0.6819 0.2743
88 6 0.0681 0.8959 0.5243
89 7 0.4357 0.1175 0.2141
90 7 0.6325 0.6857 0.4641
91 7 0.0643 0.8825 0.7141
92 8 0.3233 0.9606 0.1317
93 8 0.7894 0.5733 0.3817
94 8 0.1767 0.0394 0.6317
95 9 0.3661 0.7661 0.0842
96 9 0.9839 0.6161 0.3342
97 9 0.1339 0.2339 0.5842
98 10 0.1131 0.8841 0.1427
99 10 0.8659 0.3631 0.3927
100 10 0.3869 0.1159 0.6427
101 1 0.6471 0.6937 0.5829
102 1 0.0563 0.8971 0.8329
103 1 0.8529 0.3063 0.0829
104 2 0.8615 0.5832 0.6231
105 2 0.1668 0.1115 0.8731
106 2 0.6385 0.4168 0.1231
107 3 0.8907 0.3571 0.6652
108 3 0.3929 0.1407 0.9152
109 3 0.6093 0.6429 0.1652
110 4 0.5662 0.6173 0.6403
111 4 0.1327 0.8162 0.8903
112 4 0.9338 0.3827 0.1403
113 5 0.7635 0.6619 0.6171
114 5 0.0881 0.0135 0.8671
115 5 0.7365 0.3381 0.1171
116 6 0.9319 0.6041 0.5243
117 6 0.1459 0.1819 0.7743
118 6 0.5681 0.3959 0.0243
119 7 0.9357 0.6175 0.7141
120 7 0.1325 0.1857 0.9641
121 7 0.5643 0.3825 0.2141
122 8 0.8233 0.4606 0.6317
123 8 0.2894 0.0733 0.8817
124 8 0.6767 0.5394 0.1317
125 9 0.8661 0.2661 0.5842
126 9 0.4839 0.1161 0.8342
127 9 0.6339 0.7339 0.0842
128 10 0.6131 0.3841 0.6427
129 10 0.3659 0.8631 0.8927
130 10 0.8869 0.6159 0.1427
131 1 0.8529 0.8063 0.9171
132 1 0.9437 0.1029 0.1671
133 1 0.6471 0.1937 0.4171
134 2 0.6385 0.9168 0.8769
135 2 0.8332 0.8885 0.1269
136 2 0.8615 0.0832 0.3769
137 3 0.6093 0.1429 0.8348
138 3 0.6071 0.8593 0.0848
139 3 0.8907 0.8571 0.3348
140 4 0.9338 0.8827 0.8597
141 4 0.8673 0.1838 0.1097
142 4 0.5662 0.1173 0.3597
143 5 0.7365 0.8381 0.8829
144 5 0.9119 0.9865 0.1329
145 5 0.7635 0.1619 0.3829
146 6 0.5681 0.8959 0.9757
147 6 0.8541 0.8181 0.2257
148 6 0.9319 0.1041 0.4757
149 7 0.5643 0.8825 0.7859
150 7 0.8675 0.8143 0.0359
151 7 0.9357 0.1175 0.2859
152 8 0.6767 0.0394 0.8683
153 8 0.7106 0.9267 0.1183
154 8 0.8233 0.9606 0.3683
155 9 0.6339 0.2339 0.9158
156 9 0.5161 0.8839 0.1658
157 9 0.8661 0.7661 0.4158
158 10 0.8869 0.1159 0.8573
159 10 0.6341 0.1369 0.1073
160 10 0.6131 0.8841 0.3573
X-ray density (g/cm cub.) = 2.49
MU (1/cm) = 130.221 Mass attenuation coefficient (cm**2/g) = 52.297
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.316 4
1.6481 4
1.6368 5
1.6536 7
1.6442 4
2 Si ,Al 2.316 4
1.6346 5
1.664 6
1.6445 7
1.6721 8
3 Si ,Al 2.316 4
1.6695 8
1.6579 9
1.6581 6
1.6655 9
4 O 3.264 6
2.6467 5
2.7282 7
2.7565 4
2.6293 5
2.7565 4
2.6287 7
5 O 3.264 6
2.6467 4
2.6434 6
2.6696 7
2.7349 8
2.7292 7
2.6293 4
6 O 3.264 6
2.6434 5
2.6255 7
2.7677 8
2.731 8
2.7134 9
2.7202 9
7 O 3.264 6
2.6696 5
2.6255 6
2.7527 8
2.7282 4
2.7292 5
2.6287 4
8 O 3.264 6
2.7349 5
2.7677 6
2.7527 7
2.6684 9
2.731 6
2.7358 9
9 O 3.264 6
2.6684 8
2.7134 6
2.7202 6
2.7212 9
2.7358 8
2.7212 9
10 K 3.228 6
3.0897 4
2.9093 8
2.9277 9
2.9354 5
2.8967 6
2.9793 7
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 1 0 1 4.671 9.343 0.053 298.56 8 46.3 94.3
2 2 0 0 6.812 13.624 0.077 139.2 4 54.0 29.9
3 1 1 2 8.026 16.053 0.091 99.64 8 93.0 127.3
4 1 2 1 8.272 16.545 0.093 93.67 8 150.4 312.6
5 2 1 1 8.272 16.545 0.093 93.67 8 103.7 148.6
6 2 0 2 9.374 18.749 0.106 72.46 8 95.0 96.4
7 2 2 0 9.656 19.313 0.109 68.16 4 56.2 15.9
8 1 0 3 10.233 20.465 0.115 60.46 8 71.6 45.7
9 3 0 1 10.747 21.493 0.121 54.62 8 26.8 5.8
10 2 2 2 11.624 23.248 0.131 46.38 8 11.1 0.8
11 1 2 3 12.334 24.667 0.139 40.96 8 129.8 101.9
12 2 1 3 12.334 24.667 0.139 40.96 8 6.4 0.2
13 1 3 2 12.606 25.213 0.142 39.12 8 79.1 36.2
14 3 1 2 12.606 25.213 0.142 39.12 8 95.0 52.2
15 2 3 1 12.767 25.535 0.143 38.09 8 67.7 25.8
16 3 2 1 12.767 25.535 0.143 38.09 8 133.8 100.7
17 0 0 4 12.901 25.802 0.145 37.26 2 789.0 856.0
18 4 0 0 13.723 27.445 0.154 32.7 4 709.1 1213.3
19 1 1 4 13.798 27.596 0.155 32.32 8 75.9 27.5
20 3 0 3 14.142 28.284 0.159 30.67 8 79.6 28.7
21 1 4 1 14.526 29.051 0.163 28.97 8 94.2 37.9
22 4 1 1 14.526 29.051 0.163 28.97 8 83.1 29.6
23 2 0 4 14.644 29.289 0.164 28.47 8 99.1 41.3
24 4 0 2 15.199 30.398 0.17 26.29 8 93.3 33.7
25 2 4 0 15.38 30.76 0.172 25.63 4 129.8 31.9
26 4 2 0 15.38 30.76 0.172 25.63 4 419.5 332.8
27 2 3 3 15.759 31.518 0.176 24.32 8 198.5 141.5
28 3 2 3 15.759 31.518 0.176 24.32 8 286.2 294.0
29 3 3 2 15.978 31.956 0.179 23.61 8 283.6 280.3
30 2 2 4 16.216 32.432 0.181 22.87 8 12.2 0.5
31 1 0 5 16.578 33.156 0.185 21.8 8 20.8 1.4
32 2 4 2 16.724 33.448 0.187 21.39 8 73.1 16.9
33 4 2 2 16.724 33.448 0.187 21.39 8 46.1 6.7
34 1 3 4 16.953 33.905 0.189 20.77 8 60.3 11.2
35 3 1 4 16.953 33.905 0.189 20.77 8 201.9 124.9
36 1 4 3 17.239 34.479 0.192 20.02 8 101.2 30.3
37 4 1 3 17.239 34.479 0.192 20.02 8 26.8 2.1
38 3 4 1 17.562 35.124 0.196 19.23 8 34.5 3.4
39 4 3 1 17.562 35.124 0.196 19.23 8 14.1 0.6
40 5 0 1 17.562 35.124 0.196 19.23 8 11.5 0.4
41 1 2 5 17.998 35.997 0.201 18.22 8 57.8 9.0
42 2 1 5 17.998 35.997 0.201 18.22 8 79.1 16.8
43 1 5 2 18.805 37.61 0.209 16.55 8 20.1 1.0
44 5 1 2 18.805 37.61 0.209 16.55 8 52.3 6.7
45 2 5 1 18.918 37.835 0.21 16.33 8 11.4 0.3
46 5 2 1 18.918 37.835 0.21 16.33 8 116.0 32.5
47 4 0 4 19.012 38.024 0.211 16.15 8 356.2 302.6
48 3 0 5 19.328 38.656 0.215 15.57 8 147.6 50.1
49 4 4 0 19.602 39.204 0.218 15.1 4 262.9 77.0
50 3 3 4 19.657 39.314 0.218 15.0 8 149.7 49.6
51 3 4 3 19.91 39.82 0.221 14.58 8 26.8 1.5
52 4 3 3 19.91 39.82 0.221 14.58 8 61.7 8.2
53 5 0 3 19.91 39.82 0.221 14.58 8 113.0 27.5
54 1 1 6 20.197 40.394 0.224 14.12 8 6.9 0.1
55 2 4 4 20.285 40.57 0.225 13.99 8 28.0 1.6
56 4 2 4 20.285 40.57 0.225 13.99 8 17.6 0.6
57 2 3 5 20.584 41.169 0.228 13.54 8 22.5 1.0
58 3 2 5 20.584 41.169 0.228 13.54 8 99.7 19.9
59 4 4 2 20.706 41.411 0.23 13.36 8 33.8 2.3
60 2 0 6 20.811 41.622 0.231 13.21 8 188.7 69.4
61 6 0 0 20.844 41.689 0.231 13.16 4 12.2 0.1
62 2 5 3 21.137 42.275 0.234 12.76 8 51.0 4.9
63 5 2 3 21.137 42.275 0.234 12.76 8 137.4 35.6
64 3 5 2 21.308 42.616 0.236 12.53 8 288.3 153.7
65 5 3 2 21.308 42.616 0.236 12.53 8 11.0 0.2
66 1 6 1 21.41 42.819 0.237 12.4 8 6.5 0.1
67 6 1 1 21.41 42.819 0.237 12.4 8 88.7 14.4
68 1 4 5 21.781 43.561 0.241 11.93 8 47.7 4.0
69 4 1 5 21.781 43.561 0.241 11.93 8 67.2 7.9
70 6 0 2 21.897 43.793 0.242 11.79 8 34.5 2.1
71 2 2 6 21.997 43.995 0.243 11.67 8 64.3 7.1
72 2 6 0 22.029 44.058 0.243 11.63 4 223.0 42.7
73 6 2 0 22.029 44.058 0.243 11.63 4 95.8 7.9
74 1 5 4 22.079 44.159 0.244 11.57 8 126.8 27.4
75 5 1 4 22.079 44.159 0.244 11.57 8 53.2 4.8
76 4 5 1 22.57 45.141 0.249 11.01 8 86.3 12.1
77 5 4 1 22.57 45.141 0.249 11.01 8 93.2 14.1
78 1 3 6 22.572 45.143 0.249 11.01 8 90.1 13.2
79 3 1 6 22.572 45.143 0.249 11.01 8 77.3 9.7
80 2 6 2 23.038 46.076 0.254 10.51 8 14.6 0.3
81 6 2 2 23.038 46.076 0.254 10.51 8 47.6 3.5
82 1 0 7 23.278 46.557 0.257 10.27 8 128.6 25.1
83 1 6 3 23.435 46.87 0.258 10.11 8 134.9 27.2
84 6 1 3 23.435 46.87 0.258 10.11 8 35.2 1.9
85 3 6 1 23.686 47.373 0.261 9.87 8 120.9 21.3
86 6 3 1 23.686 47.373 0.261 9.87 8 6.0 0.1
87 4 4 4 23.765 47.53 0.262 9.8 8 195.1 55.1
88 3 4 5 24.029 48.059 0.264 9.55 8 100.8 14.3
89 4 3 5 24.029 48.059 0.264 9.55 8 25.0 0.9
90 5 0 5 24.029 48.059 0.264 9.55 8 13.9 0.3
91 4 0 6 24.23 48.461 0.266 9.37 8 144.5 28.9
92 3 5 4 24.307 48.613 0.267 9.31 8 24.6 0.8
93 5 3 4 24.307 48.613 0.267 9.31 8 45.6 2.9
94 1 2 7 24.369 48.738 0.268 9.25 8 119.2 19.4
95 2 1 7 24.369 48.738 0.268 9.25 8 45.1 2.8
96 4 5 3 24.521 49.041 0.269 9.12 8 112.8 17.1
97 5 4 3 24.521 49.041 0.269 9.12 8 116.7 18.4
98 7 0 1 24.763 49.527 0.272 8.92 8 11.2 0.2
99 3 3 6 24.765 49.529 0.272 8.92 8 190.3 47.7
100 6 0 4 24.839 49.679 0.273 8.86 8 41.6 2.3
101 2 5 5 25.096 50.191 0.275 8.65 8 22.5 0.6
102 5 2 5 25.096 50.191 0.275 8.65 8 78.3 7.8
103 2 4 6 25.29 50.58 0.277 8.5 8 120.6 18.3
104 4 2 6 25.29 50.58 0.277 8.5 8 100.9 12.8
105 4 6 0 25.319 50.638 0.278 8.48 4 232.8 33.9
106 6 4 0 25.319 50.638 0.278 8.48 4 26.9 0.5
107 3 0 7 25.425 50.849 0.279 8.4 8 46.2 2.6
108 3 6 3 25.571 51.143 0.28 8.29 8 143.0 25.0
109 6 3 3 25.571 51.143 0.28 8.29 8 141.7 24.6
110 1 7 2 25.719 51.438 0.282 8.18 8 28.2 1.0
111 5 5 2 25.719 51.438 0.282 8.18 8 116.6 16.4
112 7 1 2 25.719 51.438 0.282 8.18 8 143.7 25.0
113 2 7 1 25.807 51.614 0.283 8.12 8 2.6 0.0
114 7 2 1 25.807 51.614 0.283 8.12 8 151.3 27.5
115 2 6 4 25.881 51.762 0.283 8.07 8 79.9 7.6
116 6 2 4 25.881 51.762 0.283 8.07 8 32.1 1.2
117 4 6 2 26.231 52.461 0.287 7.83 8 17.7 0.4
118 6 4 2 26.231 52.461 0.287 7.83 8 22.6 0.6
119 2 3 7 26.449 52.899 0.289 7.68 8 182.0 37.6
120 3 2 7 26.449 52.899 0.289 7.68 8 185.7 39.1
121 0 0 8 26.522 53.044 0.29 7.63 2 275.7 21.4
122 7 0 3 26.592 53.184 0.291 7.58 8 147.5 24.4
123 1 5 6 26.822 53.645 0.293 7.44 8 56.9 3.6
124 5 1 6 26.822 53.645 0.293 7.44 8 44.5 2.2
125 1 1 8 27.023 54.046 0.295 7.31 8 94.2 9.6
126 1 6 5 27.135 54.271 0.296 7.24 8 30.5 1.0
127 6 1 5 27.135 54.271 0.296 7.24 8 10.3 0.1
128 1 4 7 27.447 54.894 0.299 7.06 8 216.6 48.9
129 4 1 7 27.447 54.894 0.299 7.06 8 12.4 0.2
130 2 0 8 27.518 55.036 0.3 7.02 8 134.2 18.7
131 2 7 3 27.586 55.173 0.301 6.98 8 117.5 14.2
132 7 2 3 27.586 55.173 0.301 6.98 8 219.6 49.7
133 3 7 2 27.726 55.452 0.302 6.9 8 375.4 143.5
134 7 3 2 27.726 55.452 0.302 6.9 8 146.1 21.7
135 5 6 1 27.81 55.62 0.303 6.85 8 102.1 10.5
136 6 5 1 27.81 55.62 0.303 6.85 8 84.1 7.1
137 4 5 5 28.116 56.233 0.306 6.68 8 140.6 19.5
138 5 4 5 28.116 56.233 0.306 6.68 8 12.0 0.1
139 4 4 6 28.296 56.593 0.308 6.59 8 125.0 15.2
140 8 0 0 28.323 56.646 0.308 6.57 4 234.7 26.7
141 1 7 4 28.365 56.73 0.308 6.55 8 66.9 4.3
142 5 5 4 28.365 56.73 0.308 6.55 8 132.4 16.9
143 7 1 4 28.365 56.73 0.308 6.55 8 217.6 45.8
144 2 2 8 28.49 56.98 0.31 6.49 8 24.6 0.6
145 1 8 1 28.776 57.551 0.312 6.34 8 14.3 0.2
146 4 7 1 28.776 57.551 0.312 6.34 8 19.5 0.4
147 7 4 1 28.776 57.551 0.312 6.34 8 25.6 0.6
148 8 1 1 28.776 57.551 0.312 6.34 8 146.1 20.0
149 3 5 6 28.777 57.553 0.312 6.34 8 172.7 27.9
150 5 3 6 28.777 57.553 0.312 6.34 8 7.9 0.1
151 4 6 4 28.844 57.689 0.313 6.31 8 12.8 0.2
152 6 4 4 28.844 57.689 0.313 6.31 8 65.6 4.0
153 1 3 8 28.968 57.936 0.314 6.25 8 22.4 0.5
154 3 1 8 28.968 57.936 0.314 6.25 8 189.7 33.2
155 3 6 5 29.076 58.151 0.315 6.19 8 42.2 1.6
156 6 3 5 29.076 58.151 0.315 6.19 8 23.1 0.5
157 8 0 2 29.17 58.339 0.316 6.15 8 76.9 5.4
158 6 0 6 29.252 58.504 0.317 6.11 8 136.6 16.8
159 2 8 0 29.278 58.555 0.317 6.1 4 0.2 0.0
160 8 2 0 29.278 58.555 0.317 6.1 4 360.8 58.6
161 3 4 7 29.374 58.747 0.318 6.05 8 9.9 0.1
162 4 3 7 29.374 58.747 0.318 6.05 8 127.7 14.6
163 5 0 7 29.374 58.747 0.318 6.05 8 171.8 26.4
164 5 6 3 29.507 59.014 0.32 5.99 8 62.7 3.5
165 6 5 3 29.507 59.014 0.32 5.99 8 66.2 3.9
166 7 0 5 30.015 60.03 0.325 5.77 8 66.1 3.7
167 2 8 2 30.107 60.215 0.326 5.73 8 44.1 1.6
168 8 2 2 30.107 60.215 0.326 5.73 8 112.5 10.7
169 2 6 6 30.188 60.376 0.326 5.69 8 5.3 0.0
170 6 2 6 30.188 60.376 0.326 5.69 8 73.9 4.6
171 6 6 0 30.213 60.427 0.327 5.68 4 33.6 0.5
172 3 7 4 30.254 60.507 0.327 5.67 8 134.9 15.2
173 7 3 4 30.254 60.507 0.327 5.67 8 213.2 38.0
174 2 5 7 30.307 60.615 0.328 5.64 8 8.6 0.1
175 5 2 7 30.307 60.615 0.328 5.64 8 89.0 6.6
176 4 0 8 30.374 60.748 0.328 5.62 8 130.9 14.2
177 1 0 9 30.387 60.775 0.328 5.61 8 78.1 5.0
178 1 8 3 30.438 60.876 0.329 5.59 8 135.5 15.2
179 4 7 3 30.438 60.876 0.329 5.59 8 30.1 0.7
180 7 4 3 30.438 60.876 0.329 5.59 8 136.4 15.4
181 8 1 3 30.438 60.876 0.329 5.59 8 12.7 0.1
182 3 8 1 30.648 61.297 0.331 5.5 8 81.8 5.4
183 8 3 1 30.648 61.297 0.331 5.5 8 58.5 2.8
184 3 3 8 30.834 61.667 0.333 5.43 8 149.2 17.8
185 2 7 5 30.937 61.874 0.334 5.39 8 37.0 1.1
186 7 2 5 30.937 61.874 0.334 5.39 8 15.4 0.2
187 6 6 2 31.028 62.056 0.335 5.36 8 67.6 3.6
188 2 4 8 31.29 62.579 0.337 5.26 8 69.0 3.7
189 4 2 8 31.29 62.579 0.337 5.26 8 113.7 10.0
190 1 2 9 31.303 62.606 0.337 5.25 8 174.2 23.5
191 2 1 9 31.303 62.606 0.337 5.25 8 75.2 4.4
192 5 7 2 31.482 62.964 0.339 5.19 8 157.4 19.0
193 7 5 2 31.482 62.964 0.339 5.19 8 233.3 41.7
194 8 0 4 31.625 63.249 0.34 5.14 8 190.0 27.4
195 4 8 0 32.035 64.071 0.344 4.99 4 205.0 15.5
196 8 4 0 32.035 64.071 0.344 4.99 4 8.4 0.0
197 1 6 7 32.126 64.252 0.345 4.96 8 52.8 2.0
198 6 1 7 32.126 64.252 0.345 4.96 8 36.2 1.0
199 3 0 9 32.204 64.407 0.346 4.94 8 35.6 0.9
200 3 8 3 32.253 64.506 0.346 4.92 8 85.4 5.3
201 8 3 3 32.253 64.506 0.346 4.92 8 55.5 2.2
202 9 0 1 32.456 64.913 0.348 4.85 8 148.3 15.8
203 1 7 6 32.457 64.915 0.348 4.85 8 29.1 0.6
204 5 5 6 32.457 64.915 0.348 4.85 8 58.1 2.4
205 7 1 6 32.457 64.915 0.348 4.85 8 145.5 15.2
206 2 8 4 32.52 65.041 0.349 4.83 8 32.9 0.8
207 8 2 4 32.52 65.041 0.349 4.83 8 155.4 17.2
208 1 5 8 32.636 65.272 0.35 4.8 8 158.6 17.8
209 5 1 8 32.636 65.272 0.35 4.8 8 50.0 1.8
210 5 6 5 32.736 65.472 0.351 4.77 8 5.2 0.0
211 6 5 5 32.736 65.472 0.351 4.77 8 7.0 0.0
212 4 8 2 32.824 65.648 0.352 4.74 8 36.9 1.0
213 8 4 2 32.824 65.648 0.352 4.74 8 17.9 0.2
214 4 6 6 32.901 65.802 0.353 4.71 8 4.7 0.0
215 6 4 6 32.901 65.802 0.353 4.71 8 70.9 3.5
216 4 5 7 33.015 66.029 0.354 4.68 8 55.3 2.1
217 5 4 7 33.015 66.029 0.354 4.68 8 176.8 21.6
218 2 3 9 33.091 66.182 0.354 4.66 8 116.7 9.4
219 3 2 9 33.091 66.182 0.354 4.66 8 28.7 0.6
220 1 9 2 33.265 66.53 0.356 4.61 8 15.1 0.2
221 9 1 2 33.265 66.53 0.356 4.61 8 27.3 0.5
222 2 9 1 33.34 66.68 0.357 4.58 8 25.8 0.4
223 6 7 1 33.34 66.68 0.357 4.58 8 23.8 0.4
224 7 6 1 33.34 66.68 0.357 4.58 8 164.1 18.2
225 9 2 1 33.34 66.68 0.357 4.58 8 59.3 2.4
226 6 6 4 33.403 66.806 0.357 4.57 8 110.8 8.3
227 1 8 5 33.616 67.232 0.359 4.5 8 44.0 1.3
228 4 7 5 33.616 67.232 0.359 4.5 8 62.5 2.6
229 7 4 5 33.616 67.232 0.359 4.5 8 32.4 0.7
230 8 1 5 33.616 67.232 0.359 4.5 8 50.3 1.7
231 5 7 4 33.84 67.681 0.361 4.44 8 122.8 9.9
232 7 5 4 33.84 67.681 0.361 4.44 8 58.2 2.2
233 3 6 7 33.891 67.782 0.362 4.43 8 85.4 4.8
234 6 3 7 33.891 67.782 0.362 4.43 8 176.8 20.4
235 4 4 8 33.954 67.907 0.363 4.41 8 107.8 7.6
236 1 4 9 33.966 67.933 0.363 4.41 8 10.9 0.1
237 4 1 9 33.966 67.933 0.363 4.41 8 138.9 12.5
238 9 0 3 34.014 68.028 0.363 4.39 8 155.3 15.7
239 5 8 1 34.212 68.425 0.365 4.34 8 23.7 0.4
240 8 5 1 34.212 68.425 0.365 4.34 8 191.1 23.4
241 3 7 6 34.213 68.427 0.365 4.34 8 326.4 68.3
242 7 3 6 34.213 68.427 0.365 4.34 8 124.9 10.0
243 1 1 10 34.363 68.727 0.366 4.3 8 260.9 43.2
244 3 5 8 34.387 68.774 0.367 4.3 8 62.3 2.5
245 5 3 8 34.387 68.774 0.367 4.3 8 84.1 4.5
246 7 0 7 34.756 69.513 0.37 4.2 8 124.5 9.6
247 2 0 10 34.795 69.589 0.37 4.19 8 85.0 4.5
248 6 0 8 34.818 69.637 0.371 4.19 8 63.1 2.5
249 2 9 3 34.878 69.756 0.371 4.17 8 21.6 0.3
250 6 7 3 34.878 69.756 0.371 4.17 8 117.8 8.5
251 7 6 3 34.878 69.756 0.371 4.17 8 221.2 30.2
252 9 2 3 34.878 69.756 0.371 4.17 8 8.4 0.0
253 3 9 2 35.001 70.001 0.372 4.14 8 78.6 3.8
254 9 3 2 35.001 70.001 0.372 4.14 8 55.9 1.9
255 4 8 4 35.136 70.271 0.374 4.11 8 171.3 17.8
256 8 4 4 35.136 70.271 0.374 4.11 8 154.2 14.4
257 3 8 5 35.344 70.687 0.375 4.06 8 39.2 0.9
258 8 3 5 35.344 70.687 0.375 4.06 8 61.4 2.3
259 8 0 6 35.502 71.005 0.377 4.03 8 144.4 12.4
260 1 9 4 35.563 71.126 0.378 4.01 8 8.5 0.0
261 9 1 4 35.563 71.126 0.378 4.01 8 28.3 0.5
262 2 7 7 35.612 71.225 0.378 4.0 8 149.1 13.1
263 7 2 7 35.612 71.225 0.378 4.0 8 154.9 14.2
264 2 2 10 35.65 71.3 0.378 4.0 8 32.6 0.6
265 2 6 8 35.673 71.347 0.379 3.99 8 123.6 9.0
266 6 2 8 35.673 71.347 0.379 3.99 8 56.5 1.9
267 3 4 9 35.686 71.372 0.379 3.99 8 80.5 3.8
268 4 3 9 35.686 71.372 0.379 3.99 8 48.0 1.4
269 5 0 9 35.686 71.372 0.379 3.99 8 25.3 0.4
270 5 8 3 35.733 71.466 0.379 3.98 8 184.8 20.0
271 8 5 3 35.733 71.466 0.379 3.98 8 123.9 9.0
272 4 9 1 35.927 71.853 0.381 3.93 8 103.8 6.3
273 9 4 1 35.927 71.853 0.381 3.93 8 138.4 11.1
274 1 3 10 36.075 72.149 0.382 3.9 8 99.7 5.7
275 3 1 10 36.075 72.149 0.382 3.9 8 256.5 37.9
276 2 8 6 36.351 72.701 0.385 3.85 8 121.6 8.4
277 8 2 6 36.351 72.701 0.385 3.85 8 199.1 22.5
278 6 8 0 36.374 72.748 0.385 3.84 4 130.4 4.8
279 8 6 0 36.374 72.748 0.385 3.84 4 179.7 9.2
280 10 0 0 36.374 72.748 0.385 3.84 4 137.1 5.3
281 2 5 9 36.533 73.065 0.386 3.81 8 83.3 3.9
282 5 2 9 36.533 73.065 0.386 3.81 8 63.7 2.3
283 7 7 2 36.699 73.398 0.388 3.78 8 177.2 17.5
284 1 10 1 36.771 73.542 0.389 3.76 8 291.1 47.1
285 10 1 1 36.771 73.542 0.389 3.76 8 65.5 2.4
286 9 0 5 37.035 74.071 0.391 3.71 8 103.9 5.9
287 6 8 2 37.119 74.237 0.392 3.7 8 21.6 0.3
288 8 6 2 37.119 74.237 0.392 3.7 8 38.1 0.8
289 10 0 2 37.119 74.237 0.392 3.7 8 18.8 0.2
290 6 6 6 37.191 74.382 0.392 3.68 8 82.8 3.7
291 2 10 0 37.214 74.428 0.393 3.68 4 3.7 0.0
292 10 2 0 37.214 74.428 0.393 3.68 4 149.6 6.1
293 3 9 4 37.25 74.501 0.393 3.67 8 114.0 7.0
294 9 3 4 37.25 74.501 0.393 3.67 8 35.8 0.7
295 5 6 7 37.299 74.598 0.393 3.66 8 59.2 1.9
296 6 5 7 37.299 74.598 0.393 3.66 8 59.9 1.9
297 4 0 10 37.336 74.672 0.394 3.66 8 33.6 0.6
298 4 9 3 37.417 74.835 0.394 3.64 8 198.7 21.2
299 9 4 3 37.417 74.835 0.394 3.64 8 91.1 4.5
300 5 7 6 37.609 75.218 0.396 3.61 8 106.8 6.1
301 7 5 6 37.609 75.218 0.396 3.61 8 136.6 9.9
302 3 3 10 37.753 75.507 0.397 3.59 8 24.9 0.3
303 1 7 8 37.776 75.552 0.398 3.58 8 73.2 2.8
304 5 5 8 37.776 75.552 0.398 3.58 8 118.3 7.4
305 7 1 8 37.776 75.552 0.398 3.58 8 210.3 23.4
306 2 9 5 37.87 75.741 0.398 3.57 8 16.4 0.1
307 6 7 5 37.87 75.741 0.398 3.57 8 29.3 0.5
308 7 6 5 37.87 75.741 0.398 3.57 8 23.5 0.3
309 9 2 5 37.87 75.741 0.398 3.57 8 77.7 3.2
310 2 10 2 37.953 75.906 0.399 3.55 8 43.8 1.0
311 10 2 2 37.953 75.906 0.399 3.55 8 10.7 0.1
312 1 0 11 38.086 76.173 0.4 3.53 8 136.7 9.7
313 1 8 7 38.132 76.264 0.401 3.52 8 270.3 38.0
314 4 7 7 38.132 76.264 0.401 3.52 8 19.3 0.2
315 7 4 7 38.132 76.264 0.401 3.52 8 52.2 1.4
316 8 1 7 38.132 76.264 0.401 3.52 8 127.7 8.5
317 2 4 10 38.169 76.338 0.401 3.52 8 40.9 0.9
318 4 2 10 38.169 76.338 0.401 3.52 8 62.2 2.0
319 4 6 8 38.192 76.383 0.401 3.51 8 52.4 1.4
320 6 4 8 38.192 76.383 0.401 3.51 8 118.0 7.2
321 1 6 9 38.204 76.408 0.401 3.51 8 148.7 11.5
322 6 1 9 38.204 76.408 0.401 3.51 8 50.6 1.3
323 1 10 3 38.249 76.499 0.402 3.5 8 248.9 32.0
324 10 1 3 38.249 76.499 0.402 3.5 8 88.3 4.0
325 5 9 2 38.368 76.735 0.403 3.48 8 83.2 3.6
326 9 5 2 38.368 76.735 0.403 3.48 8 14.1 0.1
327 3 10 1 38.439 76.877 0.404 3.47 8 156.4 12.5
328 10 3 1 38.439 76.877 0.404 3.47 8 201.5 20.8
329 5 8 5 38.699 77.398 0.406 3.43 8 39.1 0.8
330 8 5 5 38.699 77.398 0.406 3.43 8 171.2 14.9
331 4 8 6 38.853 77.705 0.407 3.41 8 127.5 8.2
332 8 4 6 38.853 77.705 0.407 3.41 8 69.6 2.4
333 7 7 4 38.911 77.822 0.408 3.4 8 109.2 6.0
334 1 2 11 38.914 77.827 0.408 3.4 8 78.9 3.1
335 2 1 11 38.914 77.827 0.408 3.4 8 37.8 0.7
336 4 5 9 39.03 78.061 0.409 3.39 8 106.1 5.6
337 5 4 9 39.03 78.061 0.409 3.39 8 29.1 0.4
338 7 8 1 39.264 78.527 0.411 3.35 8 69.3 2.4
339 8 7 1 39.264 78.527 0.411 3.35 8 213.7 22.6
340 1 9 6 39.264 78.529 0.411 3.35 8 111.1 6.1
341 9 1 6 39.264 78.529 0.411 3.35 8 21.8 0.2
342 6 8 4 39.323 78.645 0.411 3.34 8 51.0 1.3
343 8 6 4 39.323 78.645 0.411 3.34 8 93.6 4.3
344 10 0 4 39.323 78.645 0.411 3.34 8 19.2 0.2
345 1 5 10 39.407 78.814 0.412 3.33 8 16.0 0.1
346 5 1 10 39.407 78.814 0.412 3.33 8 231.3 26.3
347 3 7 8 39.43 78.859 0.412 3.33 8 123.6 7.5
348 7 3 8 39.43 78.859 0.412 3.33 8 214.4 22.6
349 4 10 0 39.698 79.395 0.415 3.29 4 95.1 2.2
350 10 4 0 39.698 79.395 0.415 3.29 4 136.6 4.5
351 3 0 11 39.736 79.472 0.415 3.29 8 90.5 4.0
352 3 8 7 39.781 79.562 0.415 3.28 8 146.9 10.5
353 8 3 7 39.781 79.562 0.415 3.28 8 194.9 18.4
354 3 6 9 39.852 79.704 0.416 3.27 8 38.2 0.7
355 6 3 9 39.852 79.704 0.416 3.27 8 101.8 5.0
356 3 10 3 39.897 79.794 0.416 3.27 8 41.5 0.8
357 10 3 3 39.897 79.794 0.416 3.27 8 104.7 5.3
358 6 9 1 40.084 80.168 0.418 3.24 8 76.0 2.8
359 9 6 1 40.084 80.168 0.418 3.24 8 125.7 7.6
360 2 10 4 40.143 80.285 0.418 3.24 8 156.3 11.7
361 10 2 4 40.143 80.285 0.418 3.24 8 201.3 19.4
362 4 9 5 40.341 80.683 0.42 3.21 8 129.0 7.9
363 9 4 5 40.341 80.683 0.42 3.21 8 20.5 0.2
364 4 10 2 40.422 80.845 0.421 3.2 8 22.5 0.2
365 10 4 2 40.422 80.845 0.421 3.2 8 18.2 0.2
366 5 9 4 40.551 81.102 0.422 3.19 8 8.8 0.0
367 9 5 4 40.551 81.102 0.422 3.19 8 53.1 1.3
368 2 3 11 40.554 81.107 0.422 3.19 8 47.7 1.1
369 3 2 11 40.554 81.107 0.422 3.19 8 18.6 0.2
370 4 4 10 40.635 81.269 0.423 3.18 8 49.5 1.2
371 8 0 8 40.657 81.314 0.423 3.18 8 39.3 0.7
372 7 0 9 40.669 81.338 0.423 3.17 8 55.0 1.4
373 7 8 3 40.714 81.428 0.423 3.17 8 50.7 1.2
374 8 7 3 40.714 81.428 0.423 3.17 8 60.8 1.7
375 11 0 1 40.9 81.8 0.425 3.15 8 25.2 0.3
376 3 9 6 40.901 81.802 0.425 3.15 8 65.1 2.0
377 9 3 6 40.901 81.802 0.425 3.15 8 27.0 0.3
378 3 5 10 41.042 82.084 0.426 3.13 8 318.5 46.9
379 5 3 10 41.042 82.084 0.426 3.13 8 125.2 7.2
380 1 10 5 41.156 82.313 0.427 3.12 8 171.8 13.6
381 10 1 5 41.156 82.313 0.427 3.12 8 38.6 0.7
382 1 4 11 41.368 82.736 0.429 3.1 8 123.4 7.0
383 4 1 11 41.368 82.736 0.429 3.1 8 83.7 3.2
384 9 0 7 41.412 82.825 0.429 3.09 8 21.2 0.2
385 6 0 10 41.449 82.897 0.43 3.09 8 67.8 2.1
386 2 8 8 41.471 82.942 0.43 3.09 8 87.3 3.5
387 8 2 8 41.471 82.942 0.43 3.09 8 84.5 3.3
388 2 7 9 41.483 82.966 0.43 3.09 8 17.2 0.1
389 7 2 9 41.483 82.966 0.43 3.09 8 7.2 0.0
390 6 9 3 41.528 83.055 0.43 3.08 8 23.4 0.2
391 9 6 3 41.528 83.055 0.43 3.08 8 15.6 0.1
392 1 11 2 41.643 83.287 0.431 3.07 8 8.5 0.0
393 11 1 2 41.643 83.287 0.431 3.07 8 48.4 1.1
394 2 11 1 41.713 83.426 0.432 3.07 8 54.0 1.3
395 5 10 1 41.713 83.426 0.432 3.07 8 210.6 20.1
396 10 5 1 41.713 83.426 0.432 3.07 8 12.9 0.1
397 11 2 1 41.713 83.426 0.432 3.07 8 156.2 11.0
398 0 0 12 42.052 84.105 0.435 3.03 2 23.4 0.1
399 8 8 0 42.141 84.283 0.436 3.03 4 5.1 0.0
400 2 9 7 42.224 84.447 0.436 3.02 8 20.6 0.2
401 6 7 7 42.224 84.447 0.436 3.02 8 223.7 22.3
402 7 6 7 42.224 84.447 0.436 3.02 8 160.4 11.5
403 9 2 7 42.224 84.447 0.436 3.02 8 20.3 0.2
404 2 6 10 42.26 84.519 0.437 3.01 8 67.4 2.0
405 6 2 10 42.26 84.519 0.437 3.01 8 48.7 1.1
406 6 6 8 42.282 84.564 0.437 3.01 8 58.3 1.5
407 11 0 3 42.338 84.676 0.437 3.01 8 41.4 0.8
408 1 1 12 42.457 84.914 0.438 3.0 8 72.1 2.3
409 7 7 6 42.524 85.048 0.439 2.99 8 202.9 18.2
410 4 10 4 42.581 85.162 0.439 2.99 8 73.8 2.4
411 10 4 4 42.581 85.162 0.439 2.99 8 93.6 3.9
412 5 7 8 42.686 85.373 0.44 2.98 8 152.6 10.2
413 7 5 8 42.686 85.373 0.44 2.98 8 114.1 5.7
414 3 10 5 42.778 85.556 0.441 2.97 8 123.8 6.7
415 10 3 5 42.778 85.556 0.441 2.97 8 120.4 6.4
416 8 8 2 42.858 85.716 0.442 2.97 8 8.4 0.0
417 2 0 12 42.862 85.723 0.442 2.96 8 123.7 6.7
418 6 8 6 42.928 85.856 0.442 2.96 8 40.5 0.7
419 8 6 6 42.928 85.856 0.442 2.96 8 24.4 0.3
420 10 0 6 42.928 85.856 0.442 2.96 8 90.3 3.6
421 3 4 11 42.988 85.976 0.443 2.95 8 92.1 3.7
422 4 3 11 42.988 85.976 0.443 2.95 8 143.0 8.9
423 5 0 11 42.988 85.976 0.443 2.95 8 157.1 10.8
424 5 8 7 43.032 86.065 0.443 2.95 8 191.5 16.0
425 8 5 7 43.032 86.065 0.443 2.95 8 7.7 0.0
426 5 6 9 43.102 86.205 0.444 2.95 8 26.0 0.3
427 6 5 9 43.102 86.205 0.444 2.95 8 109.3 5.2
428 2 11 3 43.147 86.294 0.444 2.94 8 108.5 5.1
429 5 10 3 43.147 86.294 0.444 2.94 8 160.5 11.2
430 10 5 3 43.147 86.294 0.444 2.94 8 28.9 0.4
431 11 2 3 43.147 86.294 0.444 2.94 8 129.7 7.3
432 3 11 2 43.262 86.524 0.445 2.93 8 93.7 3.8
433 7 9 2 43.262 86.524 0.445 2.93 8 131.7 7.5
434 9 7 2 43.262 86.524 0.445 2.93 8 127.2 7.0
435 11 3 2 43.262 86.524 0.445 2.93 8 91.8 3.7
436 7 8 5 43.586 87.171 0.448 2.91 8 3.3 0.0
437 8 7 5 43.586 87.171 0.448 2.91 8 209.6 18.9
438 2 2 12 43.669 87.338 0.448 2.91 8 30.1 0.4
439 2 10 6 43.736 87.471 0.449 2.9 8 90.9 3.5
440 10 2 6 43.736 87.471 0.449 2.9 8 60.3 1.6
441 6 10 0 43.758 87.516 0.449 2.9 4 72.4 1.1
442 10 6 0 43.758 87.516 0.449 2.9 4 41.0 0.4
443 1 11 4 43.793 87.586 0.449 2.9 8 101.2 4.4
444 11 1 4 43.793 87.586 0.449 2.9 8 113.7 5.5
445 2 5 11 43.795 87.591 0.449 2.9 8 2.6 0.0
446 5 2 11 43.795 87.591 0.449 2.9 8 6.5 0.0
447 4 8 8 43.898 87.795 0.45 2.89 8 43.4 0.8
448 8 4 8 43.898 87.795 0.45 2.89 8 104.7 4.7
449 1 8 9 43.91 87.819 0.45 2.89 8 34.5 0.5
450 4 7 9 43.91 87.819 0.45 2.89 8 8.3 0.0
451 7 4 9 43.91 87.819 0.45 2.89 8 58.1 1.4
452 8 1 9 43.91 87.819 0.45 2.89 8 93.7 3.7
453 1 3 12 44.072 88.145 0.452 2.88 8 54.7 1.3
454 3 1 12 44.072 88.145 0.452 2.88 8 78.8 2.6
455 4 11 1 44.138 88.276 0.452 2.88 8 4.4 0.0
456 11 4 1 44.138 88.276 0.452 2.88 8 59.9 1.5
457 5 9 6 44.139 88.278 0.452 2.88 8 51.8 1.1
458 9 5 6 44.139 88.278 0.452 2.88 8 22.2 0.2
459 1 7 10 44.279 88.558 0.453 2.87 8 128.2 7.0
460 5 5 10 44.279 88.558 0.453 2.87 8 40.1 0.7
461 7 1 10 44.279 88.558 0.453 2.87 8 124.1 6.5
462 1 9 8 44.301 88.602 0.453 2.87 8 47.6 1.0
463 9 1 8 44.301 88.602 0.453 2.87 8 63.0 1.7
464 6 9 5 44.392 88.784 0.454 2.86 8 55.6 1.3
465 9 6 5 44.392 88.784 0.454 2.86 8 72.2 2.2
466 6 10 2 44.472 88.944 0.455 2.86 8 7.9 0.0
467 10 6 2 44.472 88.944 0.455 2.86 8 31.7 0.4
468 4 9 7 44.646 89.292 0.456 2.85 8 109.1 5.0
469 9 4 7 44.646 89.292 0.456 2.85 8 26.0 0.3
470 4 6 10 44.682 89.364 0.456 2.84 8 45.5 0.9
471 6 4 10 44.682 89.364 0.456 2.84 8 11.4 0.1
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 0 1 4.671 9.343 9.4581 94.3 7.8 7.9 5.6
2 2 0 0 6.812 13.624 6.4942 29.9 2.5 2.5 5.6
3 1 1 2 8.026 16.053 5.51658 127.3 10.5 10.6 5.6
4 1 2 1 8.272 16.545 5.35367 461.3 38.0 38.3 5.6
5 2 0 2 9.374 18.749 4.72905 96.4 7.9 8.0 5.6
6 2 2 0 9.656 19.313 4.59209 15.9 1.3 1.3 5.6
7 1 0 3 10.233 20.465 4.33609 45.7 3.8 3.8 5.6
8 1 2 3 12.334 24.667 3.60615 102.2 8.4 8.4 5.6
9 3 1 2 12.606 25.213 3.52933 88.3 7.3 7.3 5.6
10 3 2 1 12.767 25.535 3.48554 126.5 10.4 10.4 5.6
11 0 0 4 12.901 25.802 3.45 856.0 70.5 70.6 5.6
12 4 0 0 13.723 27.445 3.2471 1213.3 100.0 100.0 5.6
13 1 1 4 13.798 27.596 3.22965 27.5 2.3 2.3 5.6
14 3 0 3 14.142 28.284 3.1527 28.7 2.4 2.4 5.6
15 1 4 1 14.526 29.051 3.07115 67.5 5.6 5.6 5.6
16 2 0 4 14.644 29.289 3.04676 41.3 3.4 3.4 5.6
17 4 0 2 15.199 30.398 2.93803 33.7 2.8 2.8 5.6
18 4 2 0 15.38 30.76 2.90429 364.7 30.1 30.0 5.6
19 3 2 3 15.759 31.518 2.83616 435.5 35.9 35.8 5.6
20 3 3 2 15.978 31.956 2.79833 280.3 23.1 23.0 5.6
21 2 4 2 16.724 33.448 2.67684 23.6 1.9 1.9 5.7
22 3 1 4 16.953 33.905 2.64172 136.1 11.2 11.2 5.7
23 1 4 3 17.239 34.479 2.59911 32.4 2.7 2.7 5.7
24 2 1 5 17.998 35.997 2.49289 25.8 2.1 2.1 5.7
25 5 2 1 18.918 37.835 2.37587 32.5 2.7 2.7 5.7
26 4 0 4 19.012 38.024 2.36452 302.6 24.9 24.7 5.7
27 3 0 5 19.328 38.656 2.32732 50.1 4.1 4.1 5.7
28 4 4 0 19.602 39.204 2.29605 77.0 6.3 6.3 5.7
29 3 3 4 19.657 39.314 2.28985 49.6 4.1 4.0 5.7
30 5 0 3 19.91 39.82 2.26193 37.2 3.1 3.0 5.7
31 3 2 5 20.584 41.169 2.19088 20.9 1.7 1.7 5.7
32 2 0 6 20.811 41.622 2.16805 69.4 5.7 5.6 5.7
33 5 2 3 21.137 42.275 2.13607 40.5 3.3 3.3 5.7
34 3 5 2 21.308 42.616 2.11977 154.0 12.7 12.5 5.7
35 6 1 1 21.41 42.819 2.11017 14.4 1.2 1.2 5.7
36 2 6 0 22.029 44.058 2.05365 50.6 4.2 4.1 5.7
37 1 5 4 22.079 44.159 2.04921 32.3 2.7 2.6 5.7
38 1 3 6 22.572 45.143 2.00678 49.1 4.0 4.0 5.7
39 1 0 7 23.278 46.557 1.9491 25.1 2.1 2.0 5.7
40 1 6 3 23.435 46.87 1.93679 29.0 2.4 2.3 5.7
41 3 6 1 23.686 47.373 1.91742 21.4 1.8 1.7 5.7
42 4 4 4 23.765 47.53 1.91144 55.1 4.5 4.5 5.7
43 3 4 5 24.029 48.059 1.89162 15.5 1.3 1.3 5.7
44 4 0 6 24.23 48.461 1.87686 28.9 2.4 2.3 5.7
45 1 2 7 24.369 48.738 1.86684 22.2 1.8 1.8 5.7
46 5 4 3 24.521 49.041 1.85601 35.5 2.9 2.9 5.7
47 3 3 6 24.765 49.529 1.83886 47.7 3.9 3.8 5.7
48 4 6 0 25.319 50.638 1.80117 65.4 5.4 5.3 5.8
49 3 6 3 25.571 51.143 1.78456 49.6 4.1 4.0 5.8
50 7 1 2 25.719 51.438 1.77502 41.4 3.4 3.3 5.8
51 7 2 1 25.807 51.614 1.76937 27.5 2.3 2.2 5.8
52 3 2 7 26.449 52.899 1.72939 76.6 6.3 6.2 5.8
53 0 0 8 26.522 53.044 1.725 21.4 1.8 1.7 5.8
54 7 0 3 26.592 53.184 1.72077 24.4 2.0 2.0 5.8
55 1 4 7 27.447 54.894 1.67115 49.0 4.0 3.9 5.8
56 2 0 8 27.518 55.036 1.66719 18.7 1.5 1.5 5.8
57 7 2 3 27.586 55.173 1.66337 63.9 5.3 5.1 5.8
58 3 7 2 27.726 55.452 1.65564 165.2 13.6 13.2 5.8
59 5 6 1 27.81 55.62 1.65105 17.7 1.5 1.4 5.8
60 4 5 5 28.116 56.233 1.63449 19.6 1.6 1.6 5.8
61 8 0 0 28.323 56.646 1.62355 41.9 3.5 3.3 5.8
62 7 1 4 28.365 56.73 1.62136 67.1 5.5 5.4 5.8
63 3 5 6 28.777 57.553 1.60009 48.0 4.0 3.8 5.8
64 3 1 8 28.968 57.936 1.59043 33.2 2.7 2.6 5.8
65 8 2 0 29.278 58.555 1.57508 75.4 6.2 6.0 5.8
66 5 0 7 29.374 58.747 1.57039 41.0 3.4 3.3 5.8
67 8 2 2 30.107 60.215 1.53558 12.3 1.0 1.0 5.8
68 7 3 4 30.254 60.507 1.52886 53.2 4.4 4.2 5.8
69 4 0 8 30.374 60.748 1.52338 19.2 1.6 1.5 5.8
70 7 4 3 30.438 60.876 1.52046 31.4 2.6 2.5 5.8
71 3 3 8 30.834 61.667 1.50285 17.8 1.5 1.4 5.8
72 2 1 9 31.303 62.606 1.48255 41.6 3.4 3.3 5.8
73 7 5 2 31.482 62.964 1.47497 60.7 5.0 4.8 5.9
74 8 0 4 31.625 63.249 1.46902 27.4 2.3 2.2 5.9
75 4 8 0 32.035 64.071 1.45215 15.5 1.3 1.2 5.9
76 9 0 1 32.456 64.913 1.43533 34.0 2.8 2.7 5.9
77 8 2 4 32.52 65.041 1.43281 17.2 1.4 1.4 5.9
78 1 5 8 32.636 65.272 1.4283 19.6 1.6 1.5 5.9
79 5 4 7 33.015 66.029 1.41374 23.7 2.0 1.9 5.9
80 7 6 1 33.34 66.68 1.40151 20.6 1.7 1.6 5.9
81 6 3 7 33.891 67.782 1.38139 25.2 2.1 2.0 5.9
82 4 1 9 33.966 67.933 1.37868 20.2 1.7 1.6 5.9
83 9 0 3 34.014 68.028 1.37698 15.7 1.3 1.2 5.9
84 3 7 6 34.213 68.427 1.36993 101.7 8.4 8.0 5.9
85 1 1 10 34.363 68.727 1.36468 50.2 4.1 3.9 5.9
86 7 6 3 34.878 69.756 1.34703 38.7 3.2 3.0 5.9
87 4 8 4 35.136 70.271 1.33842 32.2 2.7 2.5 5.9
88 8 0 6 35.502 71.005 1.32638 12.4 1.0 1.0 5.9
89 7 2 7 35.612 71.225 1.32283 27.3 2.3 2.1 5.9
90 2 6 8 35.673 71.347 1.32086 16.4 1.4 1.3 5.9
91 5 8 3 35.733 71.466 1.31896 29.1 2.4 2.3 5.9
92 9 4 1 35.927 71.853 1.31279 17.4 1.4 1.4 5.9
93 3 1 10 36.075 72.149 1.30814 43.6 3.6 3.4 5.9
94 8 6 0 36.374 72.748 1.29884 50.2 4.1 3.9 6.0
95 7 7 2 36.699 73.398 1.28893 17.5 1.4 1.4 6.0
96 1 10 1 36.771 73.542 1.28676 49.4 4.1 3.8 6.0
97 4 9 3 37.417 74.835 1.2677 25.7 2.1 2.0 6.0
98 7 5 6 37.609 75.218 1.2622 16.0 1.3 1.2 6.0
99 7 1 8 37.776 75.552 1.25744 33.6 2.8 2.6 6.0
100 1 8 7 38.132 76.264 1.24747 48.1 4.0 3.7 6.0
101 1 6 9 38.204 76.408 1.24548 23.4 1.9 1.8 6.0
102 1 10 3 38.249 76.499 1.24422 36.1 3.0 2.8 6.0
103 10 3 1 38.439 76.877 1.23904 33.4 2.7 2.6 6.0
104 8 5 5 38.699 77.398 1.232 14.9 1.2 1.1 6.0
105 1 9 6 39.264 78.529 1.21706 31.3 2.6 2.4 6.0
106 5 1 10 39.407 78.814 1.21337 56.4 4.6 4.3 6.0
107 8 3 7 39.781 79.562 1.20384 28.9 2.4 2.2 6.0
108 10 2 4 40.143 80.285 1.1948 31.0 2.6 2.4 6.0
109 3 5 10 41.042 82.084 1.17311 54.2 4.5 4.1 6.1
110 1 10 5 41.156 82.313 1.17043 14.3 1.2 1.1 6.1
111 11 2 1 41.713 83.426 1.15762 32.5 2.7 2.5 6.1
112 6 7 7 42.224 84.447 1.14621 33.9 2.8 2.6 6.1
113 7 7 6 42.524 85.048 1.13964 18.2 1.5 1.4 6.1
114 5 7 8 42.686 85.373 1.13613 16.0 1.3 1.2 6.1
115 3 10 5 42.778 85.556 1.13417 13.1 1.1 1.0 6.1
116 5 0 11 42.988 85.976 1.1297 23.4 1.9 1.8 6.1
117 5 8 7 43.032 86.065 1.12876 16.0 1.3 1.2 6.1
118 11 2 3 43.147 86.294 1.12635 24.0 2.0 1.8 6.1
119 9 7 2 43.262 86.524 1.12394 22.0 1.8 1.7 6.1
120 8 7 5 43.586 87.171 1.11726 18.9 1.6 1.4 6.2
121 1 7 10 44.279 88.558 1.10332 16.8 1.4 1.3 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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