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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TINTICITE
1, f-wavellite, DN
Fe(5.34)[PO(4)](3.62)[VO(4)](0.38)(OH)(4).6.7H(2)O
Triclinic P 1(-) Z = 2
R =0.131 NR =1616
18 .6 .1901
Ref.Str.:
J. Rius, D. Louer et al. (2000)
* Eur. J. Mineral., 12, 581-588
Reserv:
from Gava-Bruguers area, Spain. To draw structure model
please increase the shere radius for Fe(4)-position to 2.9 A. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.965 alpha = 103.94
b = 9.999 beta = 115.31
c = 7.644 gamma = 67.86
Unit cell volume (cub. angs.) = 507.45
Molar volume ( cub.cm/mol.) = 152.83
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.292 0.0136 0.0108 1.2 Fe = 1.00
2 0.3578 0.4898 0.7338 1.2 Fe = 0.86, Fe = 0.0
3 0.0 0.0 0.5 1.2 Fe = 0.7 , Fe = 0.0
4 0.0339 0.5133 0.2192 1.2 Fe = 0.46, Fe = 0.0
5 0.9819 0.2071 0.2146 1.2 P = 1.00
6 0.1887 0.1477 0.2025 1.2 O = 1.00
7 0.8818 0.3762 0.2062 1.2 O = 1.00
8 0.0267 0.1698 0.431 1.2 O = 1.00
9 0.8496 0.1198 0.0539 1.2 O = 1.00
10 0.4001 0.313 0.062 1.2 P = 0.5 , P = 0.0
11 0.4144 0.3739 0.905 1.2 O = 1.00
12 0.1825 0.3835 0.048 1.2 O = 1.00
13 0.5342 0.3724 0.2748 1.2 O = 1.00
14 0.486 0.1471 0.0744 1.2 O = 1.00
15 0.7664 0.2645 0.6314 1.2 P = 0.5 , P = 0.0
16 0.9899 0.1666 0.7645 1.2 O = 0.7 , O = 0.0
17 0.8056 0.379 0.5548 1.2 O = 1.00
18 0.6223 0.331 0.7247 1.2 O = 0.7 , O = 0.0
19 0.6948 0.1347 0.4712 1.2 O = 1.00
20 0.5146 0.0499 0.6855 1.2 O = 1.00
21 0.1729 0.44 0.579 1.2 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.292 0.0136 0.0108
2 2 0.3578 0.4898 0.7338
3 3 0.0 0.0 0.5
4 4 0.0339 0.5133 0.2192
5 5 0.9819 0.2071 0.2146
6 6 0.1887 0.1477 0.2025
7 7 0.8818 0.3762 0.2062
8 8 0.0267 0.1698 0.431
9 9 0.8496 0.1198 0.0539
10 10 0.4001 0.313 0.062
11 11 0.4144 0.3739 0.905
12 12 0.1825 0.3835 0.048
13 13 0.5342 0.3724 0.2748
14 14 0.486 0.1471 0.0744
15 15 0.7664 0.2645 0.6314
16 16 0.9899 0.1666 0.7645
17 17 0.8056 0.379 0.5548
18 18 0.6223 0.331 0.7247
19 19 0.6948 0.1347 0.4712
20 20 0.5146 0.0499 0.6855
21 21 0.1729 0.44 0.579
22 1 0.708 0.9864 0.9892
23 2 0.6422 0.5102 0.2662
24 4 0.9661 0.4867 0.7808
25 5 0.0181 0.7929 0.7854
26 6 0.8113 0.8523 0.7975
27 7 0.1182 0.6238 0.7938
28 8 0.9733 0.8302 0.569
29 9 0.1504 0.8802 0.9461
30 10 0.5999 0.687 0.938
31 11 0.5856 0.6261 0.095
32 12 0.8175 0.6165 0.952
33 13 0.4658 0.6276 0.7252
34 14 0.514 0.8529 0.9256
35 15 0.2336 0.7355 0.3686
36 16 0.0101 0.8334 0.2355
37 17 0.1944 0.621 0.4452
38 18 0.3777 0.669 0.2753
39 19 0.3052 0.8653 0.5288
40 20 0.4854 0.9501 0.3145
41 21 0.8271 0.56 0.421
X-ray density (g/cm cub.) = 2.78
MU (1/cm) = 122.681 Mass attenuation coefficient (cm**2/g) = 44.074
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
1.9685 6
2.2373 14
2.5327 16
1.9066 9
2.1146 14
2.254 20
2 Fe ,Fe 2.592 6
1.7582 11
2.1249 18
1.6112 21
2.0427 7
1.9048 13
2.436 17
3 Fe ,Fe 2.592 6
2.0014 8
2.2988 16
2.2337 19
2.0014 8
2.2988 16
2.2337 19
4 Fe ,Fe 2.592 5
2.1071 7
2.0362 12
2.2073 12
2.0078 17
2.5605 21
5 P 2.232 4
1.5623 6
1.5783 7
1.6416 8
1.5656 9
6 O 3.264 8
2.6485 7
2.5081 8
2.5407 9
2.8566 12
2.9215 14
3.0494 16
2.9439 9
2.4057 20
7 O 3.264 10
2.6485 6
2.6003 8
2.6069 9
3.1392 12
3.045 13
2.9671 17
2.9143 21
2.7198 11
3.2066 12
2.1949 21
8 O 3.264 8
2.5081 6
2.6003 7
2.6286 9
2.6965 16
2.4631 17
2.9414 19
3.1157 21
3.0558 19
9 O 3.264 10
2.5407 6
2.6069 7
2.6286 8
2.8737 14
3.0607 16
3.1389 18
3.0937 20
2.9439 6
2.9273 9
3.0661 16
10 P ,P 2.232 4
1.5314 11
1.5714 12
1.633 13
1.5471 14
11 O 3.264 8
2.4815 12
2.5699 13
2.6369 14
2.4406 18
3.2442 20
2.4665 21
2.7198 7
3.076 11
12 O 3.264 8
2.8566 6
3.1392 7
2.4815 11
2.5634 13
2.6415 14
3.0255 16
3.2066 7
2.8832 12
13 O 3.264 8
3.045 7
2.5699 11
2.5634 12
2.4608 14
2.3112 17
2.7064 19
2.7498 18
3.2046 21
14 O 3.264 9
2.9215 6
2.8737 9
2.6369 11
2.6415 12
2.4608 13
2.7738 19
2.9755 20
2.8473 14
3.0008 20
15 P ,P 2.232 4
1.6674 16
1.5811 17
1.4712 18
1.6445 19
16 O ,O 3.264 8
3.0494 6
2.6965 8
3.0607 9
3.0255 12
2.5521 17
2.6868 18
2.5234 19
3.0661 9
17 O 3.264 8
2.9671 7
2.4631 8
2.3112 13
2.5521 16
2.5492 18
2.7468 19
3.1294 21
2.3719 21
18 O ,O 3.264 8
3.1389 9
2.4406 11
2.6868 16
2.5492 17
2.4922 19
3.1492 20
3.0784 21
2.7498 13
19 O 3.264 9
2.9414 8
2.7064 13
2.7738 14
2.5234 16
2.7468 17
2.4922 18
3.0099 20
3.0558 8
2.6778 20
20 O 3.264 9
3.0937 9
3.2442 11
2.9755 14
3.1492 18
3.0099 19
2.4057 6
3.0008 14
2.6778 19
2.7092 20
21 O 3.264 9
2.9143 7
3.1157 8
2.4665 11
3.1294 17
3.0784 18
2.1949 7
3.2046 13
2.3719 17
2.4182 21
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 1 0 5.567 11.135 0.054 209.51 2 5.0 4.0
2 0 0 1 7.471 14.943 0.073 115.33 2 39.4 139.1
3 1 0 0 7.513 15.027 0.073 114.02 2 16.7 24.6
4 1 1 0 7.836 15.673 0.076 104.64 2 31.0 77.9
5 -1 -1 1 8.203 16.406 0.08 95.3 2 8.2 5.0
6 -1 0 1 8.386 16.772 0.082 91.09 2 53.7 203.8
7 0 -1 1 8.896 17.793 0.086 80.69 2 63.3 251.2
8 0 1 1 9.758 19.516 0.095 66.71 2 2.0 0.2
9 -1 1 0 10.693 21.387 0.104 55.19 2 1.1 0.0
10 0 2 0 11.188 22.377 0.108 50.23 2 75.7 223.8
11 -1 -2 1 11.281 22.563 0.109 49.37 2 23.5 21.2
12 1 2 0 11.376 22.752 0.11 48.51 2 18.4 12.8
13 -1 1 1 11.683 23.366 0.113 45.89 2 31.1 34.5
14 1 0 1 12.486 24.972 0.121 39.92 2 27.4 23.3
15 0 -2 1 12.888 25.776 0.125 37.34 2 44.5 57.4
16 1 1 1 13.005 26.009 0.126 36.64 2 120.5 413.4
17 -2 -1 1 13.051 26.102 0.126 36.36 2 48.9 67.6
18 -1 -1 2 13.681 27.362 0.132 32.91 2 15.0 5.8
19 -1 0 2 14.089 28.178 0.136 30.92 2 1.5 0.1
20 0 2 1 14.102 28.204 0.136 30.86 2 10.8 2.8
21 -2 0 1 14.158 28.315 0.137 30.6 2 10.4 2.6
22 -2 -2 1 14.297 28.595 0.138 29.97 2 19.0 8.4
23 1 -1 1 14.379 28.758 0.139 29.6 2 4.4 0.4
24 2 1 0 14.414 28.828 0.139 29.45 2 12.0 3.3
25 0 0 2 15.074 30.148 0.145 26.76 2 0.2 0.0
26 2 0 0 15.16 30.32 0.146 26.44 2 19.3 7.7
27 -1 2 0 15.407 30.815 0.149 25.53 2 29.4 17.1
28 -1 -2 2 15.504 31.007 0.149 25.19 2 76.8 115.3
29 0 -1 2 15.591 31.182 0.15 24.89 2 149.4 431.8
30 1 2 1 15.715 31.43 0.151 24.47 2 31.2 18.5
31 -2 -1 2 15.767 31.535 0.152 24.3 2 27.1 13.8
32 2 2 0 15.824 31.649 0.152 24.11 2 46.0 39.6
33 -1 -3 1 15.895 31.79 0.153 23.88 2 16.4 5.0
34 1 3 0 16.223 32.446 0.156 22.85 2 72.0 92.0
35 -1 2 1 16.384 32.768 0.158 22.36 2 71.5 88.7
36 -1 1 2 16.577 33.154 0.159 21.8 2 14.3 3.5
37 -2 -2 2 16.58 33.16 0.16 21.79 2 20.0 6.8
38 0 1 2 16.625 33.249 0.16 21.67 2 54.4 49.8
39 0 3 0 16.921 33.842 0.163 20.85 2 11.0 1.9
40 -2 0 2 16.958 33.917 0.163 20.75 2 92.3 137.3
41 -2 1 1 17.204 34.407 0.165 20.11 2 153.3 367.0
42 -2 -3 1 17.438 34.876 0.168 19.53 2 119.3 215.9
43 -2 1 0 17.819 35.638 0.171 18.63 2 20.3 6.0
44 0 -3 1 17.894 35.788 0.172 18.46 2 24.5 8.6
45 1 -2 1 17.993 35.987 0.173 18.23 2 26.5 10.0
46 0 -2 2 18.017 36.034 0.173 18.18 2 17.6 4.4
47 2 3 0 18.962 37.923 0.182 16.25 2 35.2 15.7
48 -1 -3 2 18.98 37.961 0.182 16.21 2 19.7 4.9
49 2 1 1 19.07 38.14 0.183 16.04 2 22.2 6.1
50 -2 -3 2 19.171 38.343 0.184 15.86 2 25.8 8.2
51 0 3 1 19.263 38.525 0.184 15.69 2 45.6 25.4
52 1 0 2 19.388 38.777 0.186 15.47 2 7.6 0.7
53 2 0 1 19.44 38.881 0.186 15.37 2 50.1 30.0
54 0 2 2 19.814 39.628 0.189 14.74 2 19.0 4.2
55 1 3 1 19.815 39.629 0.189 14.74 2 59.6 40.6
56 -2 1 2 19.835 39.67 0.19 14.7 2 9.3 1.0
57 -3 -1 1 19.897 39.794 0.19 14.6 2 4.4 0.2
58 1 1 2 19.958 39.916 0.191 14.5 2 20.7 4.8
59 -3 -2 1 20.082 40.163 0.192 14.31 2 66.0 48.4
60 2 2 1 20.404 40.808 0.195 13.81 2 62.8 42.3
61 -1 2 2 20.475 40.95 0.196 13.7 2 52.9 29.8
62 1 -1 2 20.507 41.014 0.196 13.65 2 2.6 0.1
63 -1 -1 3 20.734 41.469 0.198 13.32 2 59.8 37.0
64 -1 3 0 20.754 41.508 0.198 13.29 2 26.0 7.0
65 -3 -2 2 20.757 41.514 0.198 13.29 2 7.3 0.6
66 -3 -1 2 20.785 41.571 0.198 13.25 2 12.5 1.6
67 -2 -1 3 21.177 42.354 0.202 12.71 2 3.9 0.1
68 -1 -4 1 21.183 42.366 0.202 12.7 2 49.5 24.1
69 -1 0 3 21.224 42.449 0.202 12.64 2 47.9 22.6
70 -3 0 1 21.353 42.705 0.204 12.47 2 34.1 11.2
71 2 -1 1 21.441 42.882 0.204 12.36 2 27.9 7.5
72 -2 2 1 21.47 42.939 0.205 12.32 2 12.9 1.6
73 -2 -2 3 21.614 43.229 0.206 12.14 2 22.4 4.7
74 1 4 0 21.642 43.284 0.206 12.1 2 18.4 3.2
75 -1 3 1 21.72 43.44 0.207 12.0 2 13.1 1.6
76 -2 -4 1 21.761 43.522 0.207 11.95 2 24.3 5.5
77 -2 2 0 21.784 43.567 0.207 11.92 2 11.7 1.3
78 0 -3 2 21.8 43.601 0.208 11.9 2 100.7 93.8
79 -1 -2 3 21.844 43.688 0.208 11.85 2 9.3 0.8
80 -3 -3 1 21.873 43.746 0.208 11.82 2 20.3 3.8
81 3 1 0 21.934 43.868 0.209 11.74 2 12.0 1.3
82 1 2 2 22.107 44.214 0.21 11.54 2 69.1 42.8
83 3 2 0 22.302 44.603 0.212 11.31 2 49.1 21.2
84 -3 -3 2 22.309 44.618 0.212 11.3 2 48.6 20.8
85 -2 0 3 22.313 44.625 0.212 11.3 2 82.1 59.2
86 -3 0 2 22.39 44.779 0.213 11.21 2 25.6 5.7
87 1 -3 1 22.626 45.251 0.215 10.95 2 42.5 15.4
88 0 4 0 22.834 45.669 0.217 10.72 2 17.4 2.5
89 0 0 3 22.96 45.921 0.218 10.59 2 16.6 2.3
90 -2 -4 2 23.033 46.065 0.219 10.52 2 32.6 8.7
91 3 0 0 23.096 46.192 0.219 10.45 2 47.4 18.2
92 1 -2 2 23.112 46.224 0.219 10.43 2 43.1 15.1
93 0 -1 3 23.135 46.271 0.22 10.41 2 23.2 4.4
94 2 3 1 23.199 46.398 0.22 10.35 2 38.7 12.0
95 -1 1 3 23.233 46.466 0.221 10.31 2 24.6 4.8
96 2 4 0 23.235 46.469 0.221 10.31 2 4.3 0.1
97 0 -4 1 23.413 46.826 0.222 10.13 2 15.6 1.9
98 -1 -4 2 23.495 46.991 0.223 10.05 2 23.0 4.1
99 -2 -3 3 23.554 47.109 0.223 10.0 2 29.1 6.6
100 -2 2 2 23.891 47.781 0.226 9.68 2 48.2 17.5
101 0 3 2 24.103 48.205 0.228 9.49 2 76.8 43.4
102 -3 -2 3 24.13 48.26 0.229 9.46 2 12.9 1.2
103 3 3 0 24.144 48.288 0.229 9.45 2 11.5 1.0
104 -3 1 1 24.209 48.417 0.229 9.39 2 0.7 0.0
105 0 1 3 24.258 48.517 0.23 9.35 2 17.7 2.3
106 -3 -1 3 24.339 48.678 0.23 9.28 2 0.6 0.0
107 -1 -3 3 24.379 48.757 0.231 9.24 2 8.4 0.5
108 1 4 1 24.75 49.5 0.234 8.93 2 18.0 2.2
109 2 -2 1 24.751 49.502 0.234 8.93 2 108.6 81.9
110 0 -2 3 24.759 49.518 0.234 8.92 2 73.3 37.2
111 -2 1 3 24.85 49.7 0.235 8.85 2 15.3 1.6
112 0 4 1 24.889 49.778 0.235 8.82 2 16.2 1.8
113 -3 -4 1 24.993 49.987 0.236 8.74 2 51.6 18.1
114 -3 -4 2 25.209 50.419 0.238 8.57 2 40.3 10.8
115 -1 3 2 25.264 50.528 0.239 8.52 2 6.7 0.3
116 -3 1 2 25.332 50.664 0.239 8.47 2 133.5 117.2
117 -3 -3 3 25.343 50.686 0.239 8.46 2 41.6 11.4
118 2 1 2 25.501 51.002 0.241 8.34 2 23.5 3.6
119 1 3 2 25.518 51.035 0.241 8.33 2 32.0 6.6
120 2 0 2 25.62 51.24 0.242 8.26 2 51.8 17.2
121 -3 1 0 25.626 51.251 0.242 8.25 2 20.8 2.8
122 -3 0 3 25.945 51.891 0.245 8.02 2 9.0 0.5
123 3 1 1 26.353 52.707 0.248 7.74 2 9.8 0.6
124 -1 2 3 26.491 52.983 0.249 7.65 2 17.1 1.7
125 0 -4 2 26.493 52.986 0.249 7.65 2 13.8 1.1
126 -2 3 1 26.512 53.025 0.25 7.64 2 82.3 40.2
127 -1 4 0 26.52 53.04 0.25 7.63 2 0.4 0.0
128 -2 3 0 26.609 53.219 0.25 7.57 2 42.7 10.7
129 -2 -4 3 26.746 53.492 0.252 7.49 2 119.7 83.4
130 2 2 2 26.748 53.495 0.252 7.48 2 43.7 11.1
131 -2 -5 1 26.844 53.689 0.252 7.42 2 76.4 33.6
132 3 2 1 26.846 53.692 0.252 7.42 2 20.9 2.5
133 -4 -2 2 26.848 53.697 0.252 7.42 2 48.6 13.6
134 0 2 3 26.868 53.736 0.253 7.41 2 6.7 0.3
135 1 -3 2 26.868 53.737 0.253 7.41 2 43.8 11.1
136 -1 -5 1 26.919 53.837 0.253 7.38 2 1.3 0.0
137 2 -1 2 27.092 54.185 0.255 7.27 2 16.6 1.6
138 1 0 3 27.097 54.194 0.255 7.27 2 92.3 48.1
139 2 4 1 27.108 54.215 0.255 7.26 2 43.8 10.8
140 3 0 1 27.204 54.408 0.256 7.2 2 22.6 2.9
141 -4 -2 1 27.204 54.409 0.256 7.2 2 4.2 0.1
142 3 4 0 27.235 54.47 0.256 7.18 2 108.0 65.0
143 -4 -1 2 27.431 54.861 0.258 7.07 2 4.2 0.1
144 1 5 0 27.472 54.943 0.258 7.04 2 14.5 1.2
145 -1 4 1 27.497 54.993 0.258 7.03 2 1.0 0.0
146 -4 -3 2 27.593 55.186 0.259 6.97 2 25.7 3.6
147 -4 -1 1 27.614 55.229 0.259 6.96 2 18.5 1.8
148 0 -3 3 27.642 55.284 0.259 6.95 2 58.7 18.6
149 1 1 3 27.708 55.415 0.26 6.91 2 22.8 2.8
150 -2 -5 2 27.774 55.548 0.26 6.87 2 38.2 7.8
151 1 -1 3 27.806 55.612 0.261 6.85 2 4.8 0.1
152 -3 -4 3 27.842 55.685 0.261 6.83 2 8.4 0.4
153 1 -4 1 27.931 55.862 0.262 6.78 2 20.7 2.3
154 -2 -1 4 28.04 56.08 0.263 6.72 2 80.9 34.2
155 -1 -4 3 28.05 56.1 0.263 6.72 2 10.2 0.5
156 -4 -3 1 28.109 56.218 0.263 6.69 2 17.3 1.5
157 -3 2 1 28.148 56.296 0.264 6.67 2 11.4 0.7
158 -2 -2 4 28.231 56.463 0.264 6.62 2 2.8 0.0
159 2 5 0 28.282 56.564 0.265 6.59 2 16.5 1.4
160 -2 2 3 28.515 57.029 0.267 6.47 2 111.3 62.3
161 -1 -1 4 28.56 57.12 0.267 6.45 2 1.7 0.0
162 3 3 1 28.634 57.267 0.268 6.41 2 66.0 21.7
163 -1 -5 2 28.721 57.442 0.269 6.37 2 33.6 5.6
164 -2 3 2 28.776 57.551 0.269 6.34 2 0.0 0.0
165 -3 1 3 28.781 57.561 0.269 6.34 2 17.6 1.5
166 -4 -2 3 28.845 57.691 0.27 6.31 2 3.7 0.1
167 0 5 0 29.018 58.036 0.271 6.22 2 31.4 4.8
168 2 -3 1 29.051 58.101 0.271 6.21 2 36.9 6.6
169 -1 0 4 29.111 58.221 0.272 6.18 2 18.3 1.6
170 -2 0 4 29.134 58.268 0.272 6.17 2 4.2 0.1
171 -3 -5 1 29.137 58.273 0.272 6.16 2 41.4 8.2
172 0 4 2 29.163 58.327 0.272 6.15 2 22.0 2.3
173 -3 -5 2 29.17 58.34 0.272 6.15 2 71.8 24.7
174 2 3 2 29.239 58.478 0.273 6.12 2 10.1 0.5
175 -3 2 0 29.27 58.54 0.273 6.1 2 32.2 4.9
176 -1 -2 4 29.284 58.568 0.273 6.1 2 33.6 5.3
177 -4 0 2 29.287 58.573 0.273 6.09 2 24.9 2.9
178 -4 0 1 29.302 58.603 0.274 6.09 2 24.8 2.9
179 3 -1 1 29.318 58.636 0.274 6.08 2 33.6 5.3
180 -3 2 2 29.325 58.651 0.274 6.08 2 0.5 0.0
181 0 -5 1 29.347 58.694 0.274 6.07 2 29.0 4.0
182 -4 -3 3 29.396 58.792 0.274 6.04 2 22.7 2.4
183 -3 -2 4 29.499 58.997 0.275 6.0 2 18.4 1.6
184 -4 -1 3 29.562 59.124 0.276 5.97 2 1.8 0.0
185 1 2 3 29.583 59.165 0.276 5.96 2 26.1 3.2
186 -4 -4 2 29.598 59.195 0.276 5.95 2 45.8 9.7
187 -2 -3 4 29.693 59.385 0.277 5.91 2 18.1 1.5
188 1 -2 3 29.771 59.542 0.278 5.87 2 48.7 10.8
189 2 -2 2 29.78 59.56 0.278 5.87 2 12.5 0.7
190 -3 -1 4 29.841 59.682 0.278 5.84 2 7.7 0.3
191 4 2 0 29.858 59.715 0.278 5.84 2 8.2 0.3
192 1 4 2 29.891 59.782 0.279 5.82 2 15.1 1.0
193 4 1 0 30.085 60.171 0.28 5.74 2 87.8 34.4
194 -4 -4 1 30.25 60.499 0.282 5.67 2 14.8 1.0
195 1 5 1 30.295 60.59 0.282 5.65 2 35.6 5.5
196 -3 -3 4 30.405 60.81 0.283 5.6 2 9.5 0.4
197 0 3 3 30.561 61.121 0.284 5.54 2 36.6 5.8
198 -1 4 2 30.707 61.415 0.285 5.48 2 35.5 5.4
199 -1 3 3 30.734 61.467 0.286 5.47 2 11.3 0.5
200 4 3 0 30.868 61.736 0.287 5.42 2 7.5 0.2
201 -1 1 4 30.894 61.788 0.287 5.41 2 38.9 6.4
202 -2 -5 3 30.93 61.861 0.287 5.39 2 15.5 1.0
203 0 5 1 30.933 61.867 0.287 5.39 2 54.7 12.5
204 -4 -4 3 31.172 62.344 0.289 5.3 2 4.9 0.1
205 -1 -3 4 31.228 62.456 0.29 5.28 2 53.5 11.7
206 0 -1 4 31.328 62.655 0.291 5.24 2 4.6 0.1
207 3 5 0 31.332 62.663 0.291 5.24 2 6.7 0.2
208 0 0 4 31.341 62.681 0.291 5.24 2 97.9 39.0
209 -3 0 4 31.407 62.815 0.291 5.22 2 68.1 18.8
210 -3 -5 3 31.427 62.854 0.291 5.21 2 8.7 0.3
211 -2 1 4 31.428 62.857 0.291 5.21 2 40.1 6.5
212 -4 0 3 31.493 62.985 0.292 5.18 2 1.3 0.0
213 1 -4 2 31.516 63.031 0.292 5.18 2 4.1 0.1
214 4 0 0 31.536 63.071 0.292 5.17 2 32.6 4.3
215 0 -4 3 31.559 63.118 0.293 5.16 2 39.9 6.4
216 3 4 1 31.575 63.15 0.293 5.15 2 24.0 2.3
217 0 -5 2 31.878 63.756 0.295 5.05 2 66.2 17.2
218 2 5 1 31.878 63.756 0.295 5.05 2 17.3 1.2
219 -2 4 0 32.098 64.195 0.297 4.97 2 13.5 0.7
220 -4 1 1 32.14 64.28 0.297 4.96 2 33.4 4.3
221 -2 4 1 32.164 64.329 0.298 4.95 2 3.6 0.0
222 -4 1 2 32.279 64.557 0.299 4.91 2 1.6 0.0
223 -2 -4 4 32.317 64.634 0.299 4.9 2 9.0 0.3
224 3 1 2 32.481 64.962 0.3 4.85 2 75.5 21.4
225 -3 -4 4 32.498 64.996 0.3 4.84 2 98.4 36.4
226 0 -2 4 32.516 65.032 0.3 4.84 2 39.2 5.8
227 -2 -6 1 32.533 65.065 0.301 4.83 2 2.5 0.0
228 3 -2 1 32.542 65.084 0.301 4.83 2 12.6 0.6
229 0 1 4 32.555 65.11 0.301 4.82 2 16.8 1.1
230 1 3 3 32.587 65.174 0.301 4.81 2 45.5 7.7
231 -1 -5 3 32.627 65.255 0.301 4.8 2 37.7 5.3
232 -3 2 3 32.646 65.293 0.302 4.79 2 28.2 3.0
233 -1 5 0 32.709 65.418 0.302 4.77 2 54.8 11.1
234 -4 -5 2 32.719 65.439 0.302 4.77 2 1.7 0.0
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236 1 -3 3 32.855 65.709 0.303 4.73 2 12.5 0.6
237 -4 -2 4 32.92 65.84 0.304 4.71 2 10.1 0.4
238 -3 3 1 32.946 65.893 0.304 4.7 2 46.6 7.9
239 2 0 3 33.022 66.044 0.305 4.68 2 18.8 1.3
240 4 4 0 33.051 66.101 0.305 4.67 2 0.4 0.0
241 3 2 2 33.066 66.131 0.305 4.66 2 34.7 4.4
242 2 1 3 33.071 66.143 0.305 4.66 2 42.1 6.4
243 3 0 2 33.081 66.163 0.305 4.66 2 11.7 0.5
244 -2 3 3 33.086 66.173 0.305 4.66 2 17.0 1.0
245 -1 -6 1 33.096 66.193 0.305 4.66 2 33.4 4.0
246 -2 -6 2 33.213 66.426 0.306 4.62 2 4.8 0.1
247 -4 -3 4 33.281 66.562 0.307 4.6 2 35.5 4.5
248 -4 -5 1 33.486 66.972 0.308 4.54 2 22.1 1.7
249 2 -3 2 33.509 67.018 0.309 4.54 2 14.9 0.8
250 -1 5 1 33.721 67.443 0.31 4.48 2 23.7 2.0
251 -4 -1 4 33.735 67.47 0.31 4.47 2 60.3 12.6
252 1 6 0 33.735 67.471 0.31 4.47 2 8.8 0.3
253 -1 2 4 33.796 67.592 0.311 4.45 2 4.6 0.1
254 1 -5 1 33.81 67.62 0.311 4.45 2 28.4 2.8
255 -3 3 0 33.825 67.65 0.311 4.45 2 37.3 4.8
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257 -3 -6 2 33.989 67.979 0.313 4.4 2 9.0 0.3
258 -4 -5 3 34.064 68.129 0.313 4.38 2 3.2 0.0
259 -3 1 4 34.102 68.204 0.313 4.37 2 20.5 1.4
260 -3 -6 1 34.107 68.215 0.313 4.37 2 33.5 3.8
261 -4 1 0 34.121 68.241 0.314 4.37 2 49.5 8.3
262 2 -1 3 34.144 68.287 0.314 4.36 2 30.4 3.1
263 2 -4 1 34.149 68.298 0.314 4.36 2 75.1 19.1
264 -3 3 2 34.173 68.346 0.314 4.35 2 95.6 30.9
265 -5 -2 2 34.237 68.473 0.314 4.34 2 33.6 3.8
266 -1 -4 4 34.274 68.547 0.315 4.33 2 6.6 0.1
267 2 2 3 34.289 68.578 0.315 4.32 2 22.9 1.8
268 -2 4 2 34.343 68.686 0.315 4.31 2 52.2 9.1
269 -5 -3 2 34.4 68.8 0.316 4.29 2 20.3 1.4
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271 -4 1 3 34.523 69.046 0.317 4.26 2 47.9 7.6
272 4 1 1 34.545 69.09 0.317 4.26 2 16.6 0.9
273 -1 -6 2 34.556 69.113 0.317 4.25 2 5.5 0.1
274 -2 2 4 34.792 69.584 0.319 4.2 2 20.7 1.4
275 -4 -4 4 34.8 69.6 0.319 4.19 2 30.6 3.0
276 3 3 2 34.805 69.609 0.319 4.19 2 96.3 30.2
277 3 -1 2 34.836 69.671 0.319 4.18 2 82.8 22.3
278 0 -3 4 34.841 69.683 0.319 4.18 2 14.8 0.7
279 0 5 2 34.878 69.755 0.32 4.17 2 40.3 5.3
280 0 2 4 34.904 69.808 0.32 4.17 2 85.3 23.6
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282 0 4 3 35.16 70.321 0.322 4.11 2 20.0 1.3
283 -5 -2 3 35.219 70.437 0.322 4.09 2 113.0 40.6
284 -5 -1 2 35.226 70.452 0.322 4.09 2 36.5 4.2
285 -5 -3 3 35.234 70.468 0.322 4.09 2 9.6 0.3
286 -5 -2 1 35.323 70.646 0.323 4.07 2 27.0 2.3
287 3 5 1 35.519 71.038 0.325 4.02 2 16.0 0.8
288 4 3 1 35.566 71.131 0.325 4.01 2 20.6 1.3
289 1 0 4 35.582 71.165 0.325 4.01 2 5.0 0.1
290 0 6 0 35.599 71.197 0.325 4.01 2 85.9 23.0
291 -5 -3 1 35.63 71.26 0.326 4.0 2 87.6 23.8
292 -3 -5 4 35.668 71.336 0.326 3.99 2 24.7 1.9
293 -4 0 4 35.687 71.373 0.326 3.99 2 15.5 0.7
294 -5 -4 2 35.709 71.418 0.326 3.98 2 33.5 3.5
295 0 -6 1 35.749 71.498 0.327 3.97 2 51.0 8.0
296 4 0 1 35.754 71.508 0.327 3.97 2 1.1 0.0
297 -1 4 3 35.801 71.601 0.327 3.96 2 3.4 0.0
298 -3 -6 3 35.936 71.872 0.328 3.93 2 22.1 1.5
299 -2 -6 3 35.951 71.902 0.328 3.93 2 109.2 36.4
300 -2 -5 4 35.974 71.947 0.328 3.92 2 21.5 1.4
301 -2 -1 5 35.987 71.974 0.328 3.92 2 60.2 11.0
302 -4 2 1 35.991 71.981 0.328 3.92 2 47.3 6.8
303 -2 -2 5 36.01 72.02 0.329 3.92 2 13.5 0.6
304 1 -1 4 36.048 72.096 0.329 3.91 2 8.6 0.2
305 -5 -1 1 36.155 72.31 0.33 3.89 2 68.7 14.2
306 1 1 4 36.252 72.505 0.331 3.87 2 26.9 2.2
307 -4 2 2 36.266 72.533 0.331 3.86 2 64.7 12.6
308 3 6 0 36.281 72.562 0.331 3.86 2 100.7 30.4
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310 -5 -1 3 36.341 72.681 0.331 3.85 2 12.1 0.4
311 0 -5 3 36.357 72.713 0.331 3.85 2 10.9 0.4
312 -3 -2 5 36.368 72.736 0.331 3.84 2 23.9 1.7
313 2 -2 3 36.385 72.769 0.332 3.84 2 3.4 0.0
314 -5 -4 3 36.386 72.771 0.332 3.84 2 53.2 8.4
315 1 6 1 36.421 72.842 0.332 3.83 2 62.9 11.8
316 1 4 3 36.586 73.172 0.333 3.8 2 54.1 8.6
317 2 3 3 36.62 73.24 0.333 3.79 2 57.4 9.7
318 3 -3 1 36.737 73.474 0.334 3.77 2 2.9 0.0
319 -1 5 2 36.763 73.525 0.335 3.76 2 6.9 0.1
320 -3 -1 5 36.82 73.639 0.335 3.75 2 36.2 3.8
321 -4 -6 2 36.823 73.646 0.335 3.75 2 38.2 4.2
322 1 -4 3 36.924 73.848 0.336 3.73 2 49.0 7.0
323 1 -5 2 36.934 73.868 0.336 3.73 2 4.8 0.1
324 -3 -3 5 37.043 74.085 0.337 3.71 2 0.4 0.0
325 -5 -4 1 37.063 74.127 0.337 3.71 2 9.6 0.3
326 -2 0 5 37.092 74.184 0.337 3.7 2 15.5 0.7
327 -2 -3 5 37.159 74.319 0.338 3.69 2 87.1 21.7
328 -1 -1 5 37.203 74.406 0.338 3.68 2 22.7 1.5
329 2 5 2 37.294 74.588 0.339 3.67 2 49.3 6.9
330 -5 0 2 37.328 74.657 0.339 3.66 2 40.6 4.7
331 2 6 1 37.406 74.812 0.34 3.65 2 77.6 17.1
332 -3 3 3 37.408 74.816 0.34 3.65 2 31.8 2.9
333 -4 -5 4 37.413 74.826 0.34 3.64 2 49.8 7.0
334 0 6 1 37.476 74.951 0.34 3.63 2 4.6 0.1
335 3 4 2 37.626 75.253 0.341 3.61 2 23.9 1.6
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338 -4 -6 1 37.694 75.388 0.342 3.6 2 23.2 1.5
339 -1 -2 5 37.695 75.391 0.342 3.6 2 31.3 2.7
340 -1 3 4 37.702 75.404 0.342 3.59 2 6.1 0.1
341 -4 2 0 37.736 75.471 0.342 3.59 2 3.1 0.0
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343 -3 2 4 37.818 75.637 0.343 3.57 2 30.0 2.5
344 -1 0 5 37.827 75.655 0.343 3.57 2 45.1 5.6
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346 -4 -6 3 37.961 75.923 0.344 3.55 2 9.8 0.3
347 -1 -6 3 38.004 76.009 0.344 3.54 2 34.7 3.3
348 1 2 4 38.034 76.068 0.344 3.54 2 1.3 0.0
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352 -5 -5 2 38.114 76.228 0.345 3.53 2 8.3 0.2
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354 -5 -2 4 38.201 76.402 0.346 3.51 2 44.3 5.3
355 0 -4 4 38.214 76.428 0.346 3.51 2 52.4 7.5
356 -2 5 0 38.228 76.455 0.346 3.51 2 6.0 0.1
357 0 3 4 38.298 76.596 0.346 3.5 2 18.4 0.9
358 -1 -5 4 38.311 76.621 0.347 3.49 2 28.9 2.3
359 -3 0 5 38.382 76.765 0.347 3.48 2 10.1 0.3
360 5 2 0 38.404 76.807 0.347 3.48 2 42.9 5.0
361 -2 5 1 38.431 76.862 0.347 3.47 2 56.0 8.5
362 -2 4 3 38.466 76.932 0.348 3.47 2 85.5 19.7
363 -3 4 1 38.518 77.035 0.348 3.46 2 32.6 2.9
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365 -5 0 3 38.561 77.121 0.348 3.45 2 46.4 5.8
366 -5 -5 3 38.634 77.268 0.349 3.44 2 23.1 1.4
367 -4 1 4 38.705 77.409 0.35 3.43 2 63.7 10.8
368 -4 -2 5 38.75 77.499 0.35 3.43 2 5.5 0.1
369 -3 -4 5 38.822 77.644 0.35 3.42 2 6.2 0.1
370 -2 -7 1 38.841 77.681 0.351 3.41 2 38.2 3.9
371 5 3 0 38.842 77.684 0.351 3.41 2 30.9 2.5
372 -4 -3 5 38.947 77.894 0.351 3.4 2 21.4 1.2
373 -5 -4 4 39.054 78.108 0.352 3.38 2 8.0 0.2
374 5 1 0 39.071 78.141 0.352 3.38 2 35.6 3.3
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376 -3 4 0 39.203 78.406 0.353 3.36 2 81.2 17.2
377 -2 1 5 39.29 78.58 0.354 3.35 2 71.0 13.1
378 -1 -3 5 39.29 78.581 0.354 3.35 2 18.5 0.9
379 -2 -7 2 39.334 78.667 0.354 3.34 2 26.0 1.8
380 -2 -4 5 39.4 78.8 0.355 3.33 2 2.7 0.0
381 -5 -1 4 39.432 78.863 0.355 3.33 2 2.8 0.0
382 -1 6 0 39.434 78.868 0.355 3.33 2 2.7 0.0
383 -1 1 5 39.551 79.102 0.356 3.31 2 17.7 0.8
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385 -3 -7 2 39.601 79.201 0.356 3.31 2 71.6 13.2
386 -4 -1 5 39.654 79.308 0.357 3.3 2 16.9 0.7
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389 -3 -6 4 39.824 79.648 0.358 3.28 2 63.2 10.2
390 -1 -7 1 39.827 79.654 0.358 3.28 2 2.1 0.0
391 -3 -7 1 39.852 79.704 0.358 3.27 2 0.8 0.0
392 2 4 3 39.994 79.988 0.359 3.26 2 8.3 0.2
393 2 -5 1 40.005 80.01 0.359 3.25 2 9.8 0.2
394 3 1 3 40.022 80.043 0.359 3.25 2 14.3 0.5
395 -4 -4 5 40.241 80.482 0.361 3.22 2 14.6 0.5
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397 1 -6 1 40.32 80.64 0.362 3.22 2 27.9 1.9
398 2 7 0 40.322 80.644 0.362 3.22 2 30.2 2.3
399 5 4 0 40.375 80.751 0.362 3.21 2 21.6 1.2
400 3 6 1 40.38 80.759 0.362 3.21 2 28.5 2.0
401 0 -1 5 40.402 80.804 0.362 3.21 2 42.7 4.5
402 3 0 3 40.436 80.872 0.363 3.2 2 13.8 0.5
403 -5 1 2 40.485 80.969 0.363 3.2 2 16.0 0.6
404 -1 6 1 40.516 81.032 0.363 3.19 2 30.4 2.3
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406 0 0 5 40.553 81.107 0.363 3.19 2 23.5 1.4
407 1 7 0 40.563 81.125 0.364 3.19 2 34.4 2.9
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411 3 2 3 40.7 81.401 0.365 3.17 2 42.0 4.3
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413 -4 3 1 40.772 81.545 0.365 3.16 2 7.1 0.1
414 4 2 2 40.802 81.604 0.365 3.16 2 2.4 0.0
415 5 0 0 40.828 81.655 0.365 3.16 2 28.6 2.0
416 1 3 4 40.882 81.764 0.366 3.15 2 42.5 4.4
417 4 5 1 40.996 81.992 0.367 3.14 2 12.3 0.4
418 1 6 2 40.998 81.996 0.367 3.14 2 61.0 9.1
419 -3 1 5 41.018 82.035 0.367 3.14 2 18.4 0.8
420 -1 -7 2 41.055 82.11 0.367 3.13 2 31.0 2.3
421 -4 -6 4 41.055 82.11 0.367 3.13 2 7.6 0.1
422 -5 1 1 41.096 82.192 0.367 3.13 2 51.5 6.4
423 -5 -5 4 41.118 82.237 0.368 3.13 2 20.1 1.0
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427 0 -2 5 41.341 82.682 0.369 3.1 2 19.0 0.9
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429 3 5 2 41.466 82.933 0.37 3.09 2 71.5 12.3
430 1 5 3 41.511 83.022 0.37 3.09 2 10.1 0.2
431 3 -3 2 41.525 83.05 0.371 3.08 2 42.4 4.3
432 -5 -6 2 41.56 83.119 0.371 3.08 2 31.8 2.4
433 2 0 4 41.601 83.202 0.371 3.08 2 8.6 0.2
434 -4 0 5 41.642 83.284 0.371 3.07 2 24.4 1.4
435 -3 -5 5 41.666 83.331 0.372 3.07 2 8.2 0.2
436 -1 5 3 41.671 83.342 0.372 3.07 2 2.2 0.0
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443 3 -4 1 41.843 83.686 0.373 3.05 2 33.9 2.7
444 -4 -7 2 41.847 83.695 0.373 3.05 2 15.4 0.6
445 1 -5 3 41.919 83.838 0.373 3.05 2 22.3 1.2
446 -5 -6 3 41.931 83.861 0.374 3.04 2 59.8 8.5
447 3 -1 3 41.937 83.874 0.374 3.04 2 11.5 0.3
448 -1 -4 5 41.955 83.91 0.374 3.04 2 38.7 3.5
449 4 3 2 41.968 83.937 0.374 3.04 2 19.9 0.9
450 0 -6 3 42.001 84.001 0.374 3.04 2 36.1 3.1
451 3 7 0 42.059 84.119 0.374 3.03 2 0.2 0.0
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453 -1 2 5 42.34 84.681 0.377 3.01 2 3.4 0.0
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455 -3 3 4 42.499 84.998 0.378 2.99 2 3.8 0.0
456 2 -1 4 42.502 85.003 0.378 2.99 2 1.3 0.0
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458 -1 4 4 42.558 85.115 0.378 2.99 2 0.8 0.0
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460 -6 -3 2 42.592 85.184 0.378 2.99 2 58.9 8.0
461 -4 -5 5 42.61 85.22 0.378 2.99 2 10.3 0.2
462 -6 -3 3 42.644 85.289 0.379 2.98 2 2.7 0.0
463 0 4 4 42.682 85.365 0.379 2.98 2 31.7 2.3
464 2 6 2 42.684 85.369 0.379 2.98 2 3.5 0.0
465 -2 -5 5 42.69 85.381 0.379 2.98 2 37.8 3.3
466 -4 2 4 42.737 85.473 0.379 2.97 2 6.0 0.1
467 0 7 0 42.775 85.55 0.38 2.97 2 0.4 0.0
468 0 -7 1 42.78 85.559 0.38 2.97 2 13.8 0.4
469 -5 -3 5 42.796 85.592 0.38 2.97 2 126.9 37.1
470 -4 -7 3 42.812 85.624 0.38 2.97 2 0.1 0.0
471 -4 -7 1 42.829 85.658 0.38 2.97 2 3.3 0.0
472 -6 -2 2 42.895 85.79 0.38 2.96 2 10.6 0.3
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474 -3 4 3 43.045 86.09 0.382 2.95 2 3.9 0.0
475 2 2 4 43.052 86.103 0.382 2.95 2 30.4 2.1
476 -5 -2 5 43.058 86.115 0.382 2.95 2 3.6 0.0
477 -6 -2 3 43.085 86.17 0.382 2.95 2 21.3 1.0
478 -5 -6 1 43.136 86.271 0.382 2.94 2 12.9 0.4
479 1 -6 2 43.149 86.298 0.382 2.94 2 28.2 1.8
480 1 7 1 43.242 86.484 0.383 2.94 2 53.8 6.6
481 -6 -4 3 43.285 86.57 0.383 2.93 2 5.7 0.1
482 -1 -6 4 43.298 86.596 0.383 2.93 2 15.5 0.5
483 5 2 1 43.354 86.708 0.384 2.93 2 89.5 18.2
484 0 -3 5 43.358 86.716 0.384 2.93 2 12.1 0.3
485 -6 -4 2 43.371 86.742 0.384 2.93 2 16.1 0.6
486 -4 3 3 43.525 87.051 0.385 2.92 2 5.3 0.1
487 -1 6 2 43.537 87.073 0.385 2.91 2 25.5 1.5
488 -5 -4 5 43.615 87.23 0.386 2.91 2 15.2 0.5
489 -5 1 0 43.65 87.3 0.386 2.91 2 46.9 5.0
490 2 -5 2 43.707 87.414 0.386 2.9 2 20.7 1.0
491 2 7 1 43.735 87.47 0.386 2.9 2 21.3 1.0
492 4 -1 2 43.818 87.635 0.387 2.9 2 8.2 0.2
493 5 1 1 43.868 87.736 0.387 2.89 2 10.7 0.3
494 5 3 1 43.92 87.84 0.388 2.89 2 13.8 0.4
495 2 -4 3 43.974 87.947 0.388 2.89 2 21.6 1.0
496 1 -4 4 43.991 87.981 0.388 2.88 2 11.3 0.3
497 0 2 5 44.106 88.212 0.389 2.88 2 18.6 0.8
498 4 4 2 44.209 88.419 0.39 2.87 2 16.8 0.6
499 -1 -7 3 44.217 88.435 0.39 2.87 2 37.8 3.2
500 -5 -6 4 44.242 88.485 0.39 2.87 2 3.1 0.0
501 -6 -1 2 44.277 88.554 0.39 2.87 2 4.8 0.1
502 2 5 3 44.379 88.757 0.391 2.86 2 56.7 7.2
503 -2 4 4 44.395 88.791 0.391 2.86 2 15.7 0.5
504 -5 -1 5 44.399 88.798 0.391 2.86 2 14.4 0.5
505 2 -2 4 44.479 88.959 0.392 2.86 2 29.8 2.0
506 -6 -3 1 44.481 88.961 0.392 2.86 2 8.3 0.2
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508 -6 -1 3 44.604 89.209 0.393 2.85 2 8.3 0.2
509 -6 -3 4 44.636 89.273 0.393 2.85 2 23.1 1.2
510 -6 -2 1 44.645 89.289 0.393 2.85 2 4.6 0.0
511 -5 2 2 44.666 89.331 0.393 2.85 2 17.9 0.7
512 -3 -2 6 44.69 89.38 0.393 2.84 2 16.5 0.6
513 -4 1 5 44.693 89.385 0.393 2.84 2 10.7 0.3
514 -2 5 3 44.697 89.394 0.393 2.84 2 4.3 0.0
515 -3 2 5 44.698 89.397 0.393 2.84 2 24.5 1.3
516 0 7 1 44.71 89.42 0.393 2.84 2 23.3 1.2
517 0 -7 2 44.724 89.448 0.393 2.84 2 77.6 13.3
518 1 4 4 44.769 89.537 0.394 2.84 2 22.4 1.1
519 -3 5 1 44.926 89.851 0.395 2.83 2 24.3 1.3
520 -3 -7 4 44.951 89.901 0.395 2.83 2 17.7 0.7
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 0 0 1 7.471 14.943 6.8788 139.1 32.2 32.6 5.6
2 1 0 0 7.513 15.027 6.84063 24.6 5.7 5.8 5.6
3 1 1 0 7.836 15.673 6.56027 77.9 18.0 18.3 5.6
4 -1 -1 1 8.203 16.406 6.26908 5.0 1.2 1.2 5.6
5 -1 0 1 8.386 16.772 6.13326 203.8 47.2 47.7 5.6
6 0 -1 1 8.896 17.793 5.78379 251.2 58.2 58.8 5.6
7 0 2 0 11.188 22.377 4.6098 223.8 51.8 52.2 5.6
8 -1 -2 1 11.281 22.563 4.57226 21.2 4.9 5.0 5.6
9 1 2 0 11.376 22.752 4.53467 12.8 3.0 3.0 5.6
10 -1 1 1 11.683 23.366 4.41716 34.5 8.0 8.0 5.6
11 1 0 1 12.486 24.972 4.13718 23.3 5.4 5.4 5.6
12 0 -2 1 12.888 25.776 4.01021 57.4 13.3 13.4 5.6
13 1 1 1 13.005 26.009 3.97482 413.4 95.7 96.1 5.6
14 -2 -1 1 13.051 26.102 3.96103 67.6 15.7 15.7 5.6
15 -1 -1 2 13.681 27.362 3.78179 5.8 1.3 1.3 5.6
16 -2 -2 1 14.297 28.595 3.62198 8.4 2.0 2.0 5.6
17 2 0 0 15.16 30.32 3.42031 7.7 1.8 1.8 5.6
18 -1 2 0 15.407 30.815 3.36667 17.1 4.0 4.0 5.6
19 -1 -2 2 15.504 31.007 3.34627 115.3 26.7 26.7 5.6
20 0 -1 2 15.591 31.182 3.32799 431.8 100.0 100.0 5.6
21 1 2 1 15.715 31.43 3.3024 18.5 4.3 4.3 5.6
22 -2 -1 2 15.767 31.535 3.29168 13.8 3.2 3.2 5.6
23 2 2 0 15.824 31.649 3.28014 39.6 9.2 9.2 5.6
24 -1 -3 1 15.895 31.79 3.26593 5.0 1.1 1.1 5.6
25 1 3 0 16.223 32.446 3.20167 92.0 21.3 21.3 5.6
26 -1 2 1 16.384 32.768 3.17101 88.7 20.5 20.5 5.6
27 -2 -2 2 16.58 33.16 3.13454 10.2 2.4 2.4 5.6
28 0 1 2 16.625 33.249 3.12639 49.8 11.5 11.5 5.6
29 -2 0 2 16.958 33.917 3.06663 137.3 31.8 31.7 5.7
30 -2 1 1 17.204 34.407 3.02417 367.0 85.0 84.8 5.7
31 -2 -3 1 17.438 34.876 2.98479 215.9 50.0 49.8 5.7
32 -2 1 0 17.819 35.638 2.92298 6.0 1.4 1.4 5.7
33 0 -3 1 17.894 35.788 2.91111 8.6 2.0 2.0 5.7
34 1 -2 1 17.993 35.987 2.89557 14.3 3.3 3.3 5.7
35 2 3 0 18.962 37.923 2.75275 20.5 4.8 4.7 5.7
36 2 1 1 19.07 38.14 2.73766 6.1 1.4 1.4 5.7
37 -2 -3 2 19.171 38.343 2.72375 8.2 1.9 1.9 5.7
38 0 3 1 19.263 38.525 2.71133 25.4 5.9 5.8 5.7
39 2 0 1 19.44 38.881 2.68749 30.0 6.9 6.9 5.7
40 1 3 1 19.815 39.629 2.63869 45.8 10.6 10.5 5.7
41 1 1 2 19.958 39.916 2.62053 4.8 1.1 1.1 5.7
42 -3 -2 1 20.082 40.163 2.60502 48.4 11.2 11.1 5.7
43 2 2 1 20.404 40.808 2.56557 42.3 9.8 9.7 5.7
44 -1 2 2 20.475 40.95 2.55704 29.8 6.9 6.8 5.7
45 -1 -1 3 20.734 41.469 2.52648 44.6 10.3 10.2 5.7
46 -1 -4 1 21.183 42.366 2.47536 24.1 5.6 5.5 5.7
47 -1 0 3 21.224 42.449 2.47073 22.6 5.2 5.2 5.7
48 -3 0 1 21.353 42.705 2.45659 11.2 2.6 2.6 5.7
49 2 -1 1 21.441 42.882 2.44695 7.5 1.7 1.7 5.7
50 -2 -2 3 21.614 43.229 2.42824 7.9 1.8 1.8 5.7
51 -2 -4 1 21.761 43.522 2.41265 6.7 1.6 1.5 5.7
52 0 -3 2 21.8 43.601 2.40851 93.8 21.7 21.5 5.7
53 1 2 2 22.107 44.214 2.37675 42.8 9.9 9.8 5.7
54 -2 0 3 22.313 44.625 2.35595 101.1 23.4 23.1 5.7
55 -3 0 2 22.39 44.779 2.34826 5.7 1.3 1.3 5.7
56 1 -3 1 22.626 45.251 2.32503 15.4 3.6 3.5 5.7
57 -2 -4 2 23.033 46.065 2.28613 8.7 2.0 2.0 5.7
58 3 0 0 23.096 46.192 2.28021 33.3 7.7 7.6 5.7
59 0 -1 3 23.135 46.271 2.27653 4.4 1.0 1.0 5.7
60 2 3 1 23.199 46.398 2.27064 12.0 2.8 2.7 5.7
61 -1 1 3 23.233 46.466 2.26751 5.0 1.2 1.1 5.7
62 -2 -3 3 23.554 47.109 2.23827 6.6 1.5 1.5 5.7
63 -2 2 2 23.891 47.781 2.20858 17.5 4.0 4.0 5.7
64 0 3 2 24.103 48.205 2.1903 44.7 10.3 10.2 5.7
65 0 -2 3 24.759 49.518 2.13574 121.3 28.1 27.6 5.7
66 -3 -4 1 24.993 49.987 2.117 18.1 4.2 4.1 5.7
67 -3 -4 2 25.209 50.419 2.10003 10.8 2.5 2.5 5.8
68 -3 1 2 25.332 50.664 2.09052 128.6 29.8 29.2 5.8
69 1 3 2 25.518 51.035 2.07632 10.2 2.4 2.3 5.8
70 2 0 2 25.62 51.24 2.06859 20.0 4.6 4.5 5.8
71 -2 3 1 26.512 53.025 2.00375 43.1 10.0 9.8 5.8
72 -2 3 0 26.609 53.219 1.99698 10.7 2.5 2.4 5.8
73 -2 -4 3 26.746 53.492 1.98753 94.5 21.9 21.4 5.8
74 -2 -5 1 26.844 53.689 1.98078 61.1 14.2 13.8 5.8
75 2 4 1 27.108 54.215 1.96299 60.5 14.0 13.7 5.8
76 3 4 0 27.235 54.47 1.9545 65.0 15.1 14.7 5.8
77 -4 -3 2 27.593 55.186 1.93109 5.4 1.3 1.2 5.8
78 0 -3 3 27.642 55.284 1.92793 18.6 4.3 4.2 5.8
79 -2 -5 2 27.774 55.548 1.91949 7.8 1.8 1.8 5.8
80 -2 -1 4 28.04 56.08 1.90276 34.7 8.0 7.8 5.8
81 -2 2 3 28.515 57.029 1.87367 62.3 14.4 14.0 5.8
82 3 3 1 28.634 57.267 1.86654 21.7 5.0 4.9 5.8
83 -1 -5 2 28.721 57.442 1.86134 5.6 1.3 1.3 5.8
84 0 5 0 29.018 58.036 1.84392 4.8 1.1 1.1 5.8
85 2 -3 1 29.051 58.101 1.84204 6.6 1.5 1.5 5.8
86 -3 -5 1 29.137 58.273 1.83708 9.9 2.3 2.2 5.8
87 -3 -5 2 29.17 58.34 1.83517 27.0 6.2 6.1 5.8
88 -1 -2 4 29.284 58.568 1.82864 13.2 3.1 3.0 5.8
89 3 -1 1 29.318 58.636 1.82671 12.2 2.8 2.7 5.8
90 -4 -4 2 29.598 59.195 1.81099 12.9 3.0 2.9 5.8
91 1 -2 3 29.771 59.542 1.80141 11.5 2.7 2.6 5.8
92 4 1 0 30.085 60.171 1.78432 34.4 8.0 7.7 5.8
93 1 5 1 30.295 60.59 1.77313 5.5 1.3 1.2 5.8
94 0 3 3 30.561 61.121 1.75919 5.8 1.3 1.3 5.8
95 -1 4 2 30.707 61.415 1.7516 5.9 1.4 1.3 5.8
96 -1 1 4 30.894 61.788 1.74206 6.4 1.5 1.4 5.8
97 0 5 1 30.933 61.867 1.74006 13.5 3.1 3.0 5.8
98 -1 -3 4 31.228 62.456 1.72528 11.7 2.7 2.6 5.8
99 0 0 4 31.341 62.681 1.7197 39.0 9.0 8.7 5.8
100 -3 0 4 31.407 62.815 1.71643 25.6 5.9 5.7 5.9
101 0 -4 3 31.559 63.118 1.70902 12.9 3.0 2.9 5.9
102 0 -5 2 31.878 63.756 1.6937 18.4 4.3 4.1 5.9
103 -4 1 1 32.14 64.28 1.68134 4.3 1.0 1.0 5.9
104 -3 -4 4 32.498 64.996 1.66483 64.2 14.9 14.3 5.9
105 1 3 3 32.587 65.174 1.66077 7.7 1.8 1.7 5.9
106 -1 -5 3 32.627 65.255 1.65895 8.3 1.9 1.8 5.9
107 -1 5 0 32.709 65.418 1.65526 11.1 2.6 2.5 5.9
108 -3 3 1 32.946 65.893 1.64467 7.9 1.8 1.8 5.9
109 2 1 3 33.071 66.143 1.63916 16.4 3.8 3.6 5.9
110 -4 -3 4 33.281 66.562 1.63001 4.5 1.0 1.0 5.9
111 -4 -1 4 33.735 67.47 1.61062 14.8 3.4 3.3 5.9
112 -3 3 0 33.825 67.65 1.60684 7.6 1.8 1.7 5.9
113 -4 1 0 34.121 68.241 1.59458 13.6 3.1 3.0 5.9
114 -3 3 2 34.173 68.346 1.59243 53.1 12.3 11.7 5.9
115 -2 4 2 34.343 68.686 1.5855 9.1 2.1 2.0 5.9
116 -4 1 3 34.523 69.046 1.57826 8.5 2.0 1.9 5.9
117 3 3 2 34.805 69.609 1.56709 34.6 8.0 7.6 5.9
118 3 -1 2 34.836 69.671 1.56587 23.0 5.3 5.1 5.9
119 0 2 4 34.904 69.808 1.56319 28.8 6.7 6.4 5.9
120 -5 -2 3 35.219 70.437 1.551 45.1 10.4 9.9 5.9
121 0 6 0 35.599 71.197 1.5366 23.0 5.3 5.1 5.9
122 -5 -3 1 35.63 71.26 1.53543 23.8 5.5 5.2 5.9
123 0 -6 1 35.749 71.498 1.531 8.0 1.9 1.8 5.9
124 -2 -6 3 35.951 71.902 1.52355 37.9 8.8 8.3 5.9
125 -4 2 1 35.991 71.981 1.52209 19.3 4.5 4.2 5.9
126 -5 -1 1 36.155 72.31 1.5161 14.2 3.3 3.1 5.9
127 3 6 0 36.281 72.562 1.51156 49.3 11.4 10.8 6.0
128 -5 -4 3 36.386 72.771 1.50781 10.2 2.4 2.2 6.0
129 1 6 1 36.421 72.842 1.50656 11.8 2.7 2.6 6.0
130 1 4 3 36.586 73.172 1.5007 8.6 2.0 1.9 6.0
131 2 3 3 36.62 73.24 1.49951 9.7 2.3 2.1 6.0
132 -4 -6 2 36.823 73.646 1.49239 8.1 1.9 1.8 6.0
133 1 -4 3 36.924 73.848 1.48889 7.0 1.6 1.5 6.0
134 -2 -3 5 37.159 74.319 1.48081 21.7 5.0 4.8 6.0
135 2 5 2 37.294 74.588 1.47624 6.9 1.6 1.5 6.0
136 -5 0 2 37.328 74.657 1.47508 4.7 1.1 1.0 6.0
137 2 6 1 37.406 74.812 1.47247 26.9 6.2 5.9 6.0
138 -1 -2 5 37.695 75.391 1.46282 4.3 1.0 0.9 6.0
139 -1 0 5 37.827 75.655 1.45848 8.1 1.9 1.8 6.0
140 0 -4 4 38.214 76.428 1.44595 12.9 3.0 2.8 6.0
141 -2 5 1 38.431 76.862 1.43903 13.4 3.1 2.9 6.0
142 -2 4 3 38.466 76.932 1.43792 19.7 4.6 4.3 6.0
143 -5 0 3 38.561 77.121 1.43494 5.8 1.3 1.3 6.0
144 -4 1 4 38.705 77.409 1.43044 10.8 2.5 2.4 6.0
145 -2 -7 1 38.841 77.681 1.42622 6.4 1.5 1.4 6.0
146 -3 4 0 39.203 78.406 1.41513 17.2 4.0 3.7 6.0
147 -2 1 5 39.29 78.58 1.41251 14.0 3.2 3.0 6.0
148 -5 -5 1 39.579 79.158 1.40386 28.7 6.7 6.2 6.0
149 2 -3 3 39.674 79.348 1.40106 5.7 1.3 1.2 6.0
150 -3 -6 4 39.824 79.648 1.39665 10.2 2.4 2.2 6.0
151 0 -1 5 40.402 80.804 1.38002 7.7 1.8 1.7 6.1
152 -2 -6 4 40.578 81.157 1.37506 15.0 3.5 3.2 6.1
153 3 2 3 40.7 81.401 1.37165 4.4 1.0 0.9 6.1
154 1 3 4 40.882 81.764 1.36662 4.4 1.0 1.0 6.1
155 1 6 2 40.998 81.996 1.36344 9.9 2.3 2.1 6.1
156 -5 1 1 41.096 82.192 1.36076 7.4 1.7 1.6 6.1
157 3 5 2 41.466 82.933 1.35078 12.3 2.8 2.6 6.1
158 -5 -6 3 41.931 83.861 1.33855 14.4 3.3 3.1 6.1
159 -6 -3 2 42.592 85.184 1.32165 8.3 1.9 1.8 6.1
160 -2 -5 5 42.69 85.381 1.31919 5.7 1.3 1.2 6.1
161 -5 -3 5 42.796 85.592 1.31657 37.1 8.6 7.9 6.1
162 1 7 1 43.242 86.484 1.30562 6.6 1.5 1.4 6.1
163 5 2 1 43.354 86.708 1.30292 19.2 4.4 4.1 6.1
164 -5 1 0 43.65 87.3 1.29585 5.0 1.2 1.1 6.2
165 2 5 3 44.379 88.757 1.2789 8.2 1.9 1.7 6.2
166 0 -7 2 44.724 89.448 1.2711 15.8 3.7 3.3 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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