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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JOESMITHITE
1
(Pb,Ca,Ba)(2)Ca(4)Fe(2)(Mg,Fe)(8)[Si(2)O(6)](4)[Si(O,OH)(4)](4)(OH)(8)
Monoclinic P 2/a Z = 1
P2/a
23 .1 .1996
Ref.Str.:
P.B.Moore (1968)
* Mineral. Mag., 36, 876-879
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.885 alpha = 90.0
b = 17.875 beta = 105.67
c = 5.227 gamma = 90.0
Unit cell volume (cub. angs.) = 889.26
Molar volume ( cub.cm/mol.) = 535.63
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.75 0.3416 0.5 0.72 Mg = 0.32, Fe = 0.68
2 0.75 0.256 0.0 0.65 Mg = 0.55, Fe = 0.45
3 0.75 0.1624 0.5 0.6 Mg = 0.85, Al = 0.15
4 0.75 0.0751 0.0 0.7 Mg = 0.74, Fe = 0.26
5 0.75 0.4275 0.0 0.53 Fe = 1.00
6 0.25 0.459 0.5 1.02 Ca = 1.00
7 0.25 0.03 0.5 1.06 Ca = 1.00
8 0.25 0.2836 0.0 1.17 Pb = 0.4 , Ca = 0.6
9 0.462 0.0807 0.1896 0.6 Si = 1.00
10 0.4714 0.169 0.6951 0.8 Si = 1.00
11 0.4594 0.4228 0.18 0.7 Si = 1.00
12 0.632 0.425 0.2643 0.7 O = 1.00
13 0.643 0.343 0.777 1.1 O = 1.00
14 0.6423 0.2517 0.2872 1.1 OH = 1.00
15 0.6375 0.1635 0.7764 0.7 O = 1.00
16 0.6318 0.0807 0.273 0.6 O = 1.00
17 0.38 0.4977 0.2105 1.0 O = 1.00
18 0.403 0.386 0.88 0.9 O = 1.00
19 0.4115 0.363 0.3779 1.2 O = 1.00
20 0.4151 0.2513 0.712 1.4 O = 1.00
21 0.4054 0.116 0.8844 0.9 O = 1.00
22 0.4084 0.1363 0.3954 1.4 O = 1.00
23 0.3839 0.0037 0.2093 1.2 O = 1.00
24 0.4731 0.3315 0.6894 0.11 Be = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.75 0.3416 0.5
2 2 0.75 0.256 0.0
3 3 0.75 0.1624 0.5
4 4 0.75 0.0751 0.0
5 5 0.75 0.4275 0.0
6 6 0.25 0.459 0.5
7 7 0.25 0.03 0.5
8 8 0.25 0.2836 0.0
9 9 0.462 0.0807 0.1896
10 10 0.4714 0.169 0.6951
11 11 0.4594 0.4228 0.18
12 12 0.632 0.425 0.2643
13 13 0.643 0.343 0.777
14 14 0.6423 0.2517 0.2872
15 15 0.6375 0.1635 0.7764
16 16 0.6318 0.0807 0.273
17 17 0.38 0.4977 0.2105
18 18 0.403 0.386 0.88
19 19 0.4115 0.363 0.3779
20 20 0.4151 0.2513 0.712
21 21 0.4054 0.116 0.8844
22 22 0.4084 0.1363 0.3954
23 23 0.3839 0.0037 0.2093
24 24 0.4731 0.3315 0.6894
25 1 0.25 0.6584 0.5
26 2 0.25 0.744 0.0
27 3 0.25 0.8376 0.5
28 4 0.25 0.9249 0.0
29 5 0.25 0.5725 0.0
30 6 0.75 0.541 0.5
31 7 0.75 0.97 0.5
32 8 0.75 0.7164 0.0
33 9 0.538 0.9193 0.8104
34 10 0.5286 0.831 0.3049
35 11 0.5406 0.5772 0.82
36 12 0.368 0.575 0.7357
37 13 0.357 0.657 0.223
38 14 0.3577 0.7483 0.7128
39 15 0.3625 0.8365 0.2236
40 16 0.3682 0.9193 0.727
41 17 0.62 0.5023 0.7895
42 18 0.597 0.614 0.12
43 19 0.5885 0.637 0.6221
44 20 0.5849 0.7487 0.288
45 21 0.5946 0.884 0.1156
46 22 0.5916 0.8637 0.6046
47 23 0.6161 0.9963 0.7907
48 24 0.5269 0.6685 0.3106
49 9 0.038 0.0807 0.8104
50 10 0.0286 0.169 0.3049
51 11 0.0406 0.4228 0.82
52 12 0.868 0.425 0.7357
53 13 0.857 0.343 0.223
54 14 0.8577 0.2517 0.7128
55 15 0.8625 0.1635 0.2236
56 16 0.8682 0.0807 0.727
57 17 0.12 0.4977 0.7895
58 18 0.097 0.386 0.12
59 19 0.0885 0.363 0.6221
60 20 0.0849 0.2513 0.288
61 21 0.0946 0.116 0.1156
62 22 0.0916 0.1363 0.6046
63 23 0.1161 0.0037 0.7907
64 24 0.0269 0.3315 0.3106
65 9 0.962 0.9193 0.1896
66 10 0.9714 0.831 0.6951
67 11 0.9594 0.5772 0.18
68 12 0.132 0.575 0.2643
69 13 0.143 0.657 0.777
70 14 0.1423 0.7483 0.2872
71 15 0.1375 0.8365 0.7764
72 16 0.1318 0.9193 0.273
73 17 0.88 0.5023 0.2105
74 18 0.903 0.614 0.88
75 19 0.9115 0.637 0.3779
76 20 0.9151 0.7487 0.712
77 21 0.9054 0.884 0.8844
78 22 0.9084 0.8637 0.3954
79 23 0.8839 0.9963 0.2093
80 24 0.9731 0.6685 0.6894
X-ray density (g/cm cub.) = 3.57
MU (1/cm) = 323.116 Mass attenuation coefficient (cm**2/g) = 90.441
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.64 6
2.0795 12
2.0107 13
2.0768 14
2.0795 12
2.0107 13
2.0768 14
2 Mg ,Fe 2.64 6
2.0567 13
2.0631 14
2.1528 15
2.0567 13
2.0631 14
2.1528 15
3 Mg ,Al 2.568 6
2.0686 14
2.0475 15
2.0388 16
2.0686 14
2.0475 15
2.0388 16
4 Mg ,Fe 2.64 6
2.097 15
2.0766 16
2.0373 23
2.097 15
2.0766 16
2.0373 23
5 Fe 2.64 6
2.0351 12
2.0231 13
1.9713 17
2.0351 12
2.0231 13
1.9713 17
6 Ca 2.928 8
2.3388 17
2.5125 18
2.5399 19
2.5301 12
2.3388 17
2.5125 18
2.5399 19
2.5301 12
7 Ca 2.928 8
2.6632 21
2.6122 22
2.3169 23
2.4371 16
2.6632 21
2.6122 22
2.3169 23
2.4371 16
8 Pb ,Ca 3.192 6
2.558 18
2.6002 19
2.5671 20
2.558 18
2.6002 19
2.5671 20
9 Si 2.148 4
1.6162 16
1.6655 21
1.6533 22
1.595 23
10 Si 2.148 4
1.584 15
1.5837 20
1.6282 21
1.6299 22
11 Si 2.148 4
1.6433 12
1.5816 17
1.6523 18
1.6436 19
12 O 3.312 11
3.0306 13
2.9661 13
3.1007 14
2.7558 17
2.6812 18
2.6516 19
3.1041 17
2.8149 17
2.8997 12
2.7205 13
2.8932 17
13 O 3.312 12
2.9661 12
3.0306 12
3.1281 14
3.0345 14
3.209 15
2.6831 18
2.6716 19
2.732 20
2.8587 17
2.7205 12
2.6918 13
2.7686 14
14 OH 3.36 12
3.1007 12
3.0345 13
3.1281 13
3.0153 15
3.09 15
3.0586 16
3.1579 19
3.2305 20
3.2599 22
2.7686 13
2.6313 14
2.7794 15
15 O 3.312 12
3.209 13
3.09 14
3.0153 14
3.0018 16
3.0062 16
2.6476 20
2.6463 21
2.6258 22
2.9985 23
2.7794 14
2.7572 15
2.7885 16
16 O 3.312 11
3.0586 14
3.0062 15
3.0018 15
2.6602 21
2.6527 22
2.7513 23
3.1384 23
2.9059 23
2.7885 15
2.8454 16
3.0075 23
17 O 3.312 10
2.7558 12
2.6897 18
2.552 19
3.1041 12
2.8149 12
2.8587 13
3.3039 17
3.1136 18
2.897 17
2.8932 12
18 O 3.312 8
2.6812 12
2.6831 13
2.6897 17
2.6136 19
2.6801 19
2.5767 20
3.1136 17
3.0639 19
19 O 3.312 8
2.6516 12
2.6716 13
3.1579 14
2.552 17
2.6801 18
2.6136 18
2.6465 20
3.0639 18
20 O 3.312 7
2.732 13
3.2305 14
2.6476 15
2.5767 18
2.6465 19
2.5917 21
2.6286 22
21 O 3.312 8
2.6463 15
2.6602 16
2.5917 20
2.6877 22
2.5897 22
2.6746 23
3.1156 23
3.0728 22
22 O 3.312 8
3.2599 14
2.6258 15
2.6527 16
2.6286 20
2.5897 21
2.6877 21
2.5486 23
3.0728 21
23 O 3.312 10
2.7513 16
2.6746 21
2.5486 22
2.9985 15
3.1384 16
2.9059 16
3.1156 21
3.2792 23
2.9439 23
3.0075 16
24 Be 2.088 4
1.6301 13
1.6717 18
1.6743 19
1.5603 20
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 2.868 5.737 0.028 795.74 2 32.5 212.4
2 0 2 0 5.744 11.487 0.056 196.71 2 4.1 0.8
3 1 1 0 6.112 12.224 0.06 173.46 4 21.9 42.2
4 1 2 0 7.891 15.782 0.077 103.16 4 2.2 0.3
5 0 3 0 8.634 17.268 0.084 85.81 2 27.1 15.9
6 1 3 0 10.201 20.403 0.099 60.85 4 43.6 58.6
7 0 0 1 10.237 20.475 0.099 60.4 2 81.6 101.7
8 1 1 -1 10.61 21.22 0.103 56.09 4 24.0 16.3
9 0 1 1 10.64 21.28 0.103 55.76 4 37.0 38.7
10 2 0 0 10.834 21.667 0.105 53.71 2 133.9 243.5
11 2 1 0 11.216 22.432 0.109 49.97 4 63.9 103.1
12 0 4 0 11.546 23.092 0.112 47.03 2 47.0 26.3
13 1 2 -1 11.742 23.484 0.114 45.41 4 56.8 74.2
14 0 2 1 11.769 23.538 0.114 45.19 4 34.9 27.9
15 2 2 0 12.295 24.59 0.119 41.23 4 40.1 33.5
16 2 0 -1 12.772 25.543 0.124 38.06 2 71.7 49.5
17 1 4 0 12.775 25.55 0.124 38.04 4 51.9 51.8
18 2 1 -1 13.1 26.201 0.127 36.07 4 26.4 12.7
19 1 1 1 13.174 26.349 0.127 35.65 4 66.6 80.0
20 1 3 -1 13.429 26.857 0.13 34.24 4 3.6 0.2
21 0 3 1 13.453 26.906 0.13 34.1 4 34.4 20.4
22 2 3 0 13.919 27.838 0.134 31.73 4 98.4 155.5
23 2 2 -1 14.044 28.088 0.136 31.13 4 58.3 53.5
24 1 2 1 14.113 28.227 0.136 30.8 4 4.0 0.2
25 0 5 0 14.489 28.979 0.14 29.13 2 39.2 11.3
26 2 3 -1 15.499 30.998 0.149 25.21 4 26.8 9.2
27 1 5 0 15.502 31.003 0.149 25.2 4 40.3 20.7
28 1 4 -1 15.505 31.01 0.149 25.19 4 118.7 179.5
29 0 4 1 15.526 31.052 0.15 25.12 4 50.1 31.9
30 1 3 1 15.562 31.125 0.15 24.99 4 218.6 603.9
31 2 4 0 15.937 31.874 0.153 23.74 4 134.8 218.3
32 3 1 0 16.639 33.278 0.16 21.63 4 114.8 144.3
33 2 0 1 16.947 33.893 0.163 20.78 2 29.6 4.6
34 3 1 -1 17.105 34.211 0.164 20.36 4 61.5 38.9
35 2 1 1 17.202 34.405 0.165 20.12 4 12.5 1.6
36 2 4 -1 17.351 34.701 0.167 19.74 4 45.0 20.2
37 3 2 0 17.408 34.816 0.167 19.6 4 14.7 2.1
38 1 4 1 17.408 34.816 0.167 19.6 4 56.4 31.5
39 0 6 0 17.472 34.944 0.168 19.44 2 76.4 28.7
40 1 5 -1 17.854 35.707 0.171 18.55 4 1.2 0.0
41 3 2 -1 17.856 35.713 0.171 18.54 4 3.0 0.1
42 0 5 1 17.872 35.745 0.172 18.5 4 67.4 42.5
43 2 2 1 17.95 35.9 0.172 18.33 4 178.4 295.2
44 2 5 0 18.236 36.472 0.175 17.7 4 65.5 38.4
45 1 6 0 18.337 36.674 0.176 17.49 4 64.6 37.0
46 3 3 0 18.627 37.255 0.179 16.9 4 137.2 160.9
47 3 3 -1 19.051 38.102 0.182 16.08 4 203.4 336.5
48 2 3 1 19.139 38.279 0.183 15.91 4 4.0 0.1
49 2 5 -1 19.504 39.008 0.187 15.26 4 57.9 25.9
50 1 5 1 19.556 39.112 0.187 15.17 4 223.7 384.1
51 3 4 0 20.228 40.457 0.193 14.08 4 62.3 27.7
52 1 1 -2 20.236 40.472 0.193 14.06 4 15.3 1.7
53 1 6 -1 20.403 40.807 0.195 13.81 4 53.7 20.1
54 0 6 1 20.42 40.84 0.195 13.78 4 204.4 291.2
55 0 7 0 20.504 41.009 0.196 13.66 2 108.3 40.5
56 3 4 -1 20.624 41.249 0.197 13.48 4 56.0 21.4
57 2 4 1 20.707 41.414 0.198 13.36 4 66.5 29.9
58 2 6 0 20.746 41.491 0.198 13.3 4 18.2 2.2
59 2 0 -2 20.756 41.511 0.198 13.29 2 355.3 424.3
60 0 0 2 20.821 41.643 0.199 13.2 2 26.6 2.4
61 1 2 -2 20.891 41.781 0.199 13.1 4 7.9 0.4
62 2 1 -2 20.971 41.942 0.2 12.99 4 21.7 3.1
63 0 1 2 21.036 42.073 0.201 12.9 4 46.6 14.2
64 1 7 0 21.264 42.528 0.203 12.59 4 13.1 1.1
65 2 2 -2 21.607 43.215 0.206 12.14 4 5.4 0.2
66 0 2 2 21.671 43.342 0.206 12.06 4 39.8 9.7
67 4 0 -1 21.708 43.416 0.207 12.02 2 28.8 2.5
68 2 6 -1 21.891 43.782 0.208 11.79 4 19.1 2.2
69 4 1 -1 21.916 43.832 0.209 11.76 4 16.0 1.5
70 1 6 1 21.939 43.877 0.209 11.74 4 31.9 6.0
71 1 3 -2 21.946 43.891 0.209 11.73 4 47.9 13.6
72 3 1 1 22.026 44.053 0.21 11.63 4 37.9 8.4
73 4 0 0 22.081 44.162 0.21 11.57 2 122.9 44.2
74 3 5 0 22.145 44.289 0.211 11.49 4 83.0 40.1
75 4 1 0 22.286 44.572 0.212 11.33 4 24.8 3.5
76 3 5 -1 22.513 45.026 0.214 11.07 4 151.0 127.7
77 4 2 -1 22.531 45.062 0.214 11.05 4 146.4 119.7
78 2 5 1 22.59 45.18 0.215 10.99 4 57.4 18.3
79 2 3 -2 22.636 45.271 0.215 10.94 4 28.4 4.5
80 3 2 1 22.639 45.277 0.215 10.93 4 38.1 8.0
81 0 3 2 22.697 45.394 0.216 10.87 4 77.3 32.8
82 4 2 0 22.893 45.786 0.217 10.66 4 36.8 7.3
83 1 7 -1 23.113 46.226 0.219 10.43 4 75.5 30.0
84 3 1 -2 23.122 46.244 0.22 10.42 4 78.8 32.7
85 0 7 1 23.128 46.256 0.22 10.42 4 88.8 41.5
86 1 1 2 23.243 46.486 0.221 10.3 4 27.0 3.8
87 1 4 -2 23.359 46.717 0.222 10.19 4 29.3 4.4
88 2 7 0 23.423 46.847 0.222 10.12 4 74.6 28.5
89 4 3 -1 23.527 47.054 0.223 10.02 4 9.4 0.4
90 0 8 0 23.598 47.196 0.224 9.95 2 17.3 0.8
91 3 3 1 23.631 47.263 0.224 9.92 4 103.8 54.1
92 3 2 -2 23.712 47.424 0.225 9.85 4 11.9 0.7
93 1 2 2 23.831 47.661 0.226 9.73 4 17.3 1.5
94 4 3 0 23.878 47.755 0.226 9.69 4 37.2 6.8
95 2 4 -2 24.017 48.033 0.228 9.56 4 118.5 67.9
96 0 4 2 24.075 48.151 0.228 9.51 4 50.2 12.1
97 1 8 0 24.28 48.561 0.23 9.33 4 78.3 29.0
98 3 6 0 24.322 48.644 0.23 9.29 4 56.5 15.0
99 2 7 -1 24.469 48.938 0.232 9.17 4 76.2 27.0
100 1 7 1 24.513 49.025 0.232 9.13 4 42.8 8.5
101 3 6 -1 24.665 49.33 0.233 9.0 4 41.8 7.9
102 3 3 -2 24.672 49.343 0.233 9.0 4 113.1 58.2
103 2 6 1 24.737 49.474 0.234 8.94 4 226.2 231.5
104 1 3 2 24.787 49.573 0.234 8.9 4 39.3 7.0
105 4 4 -1 24.87 49.74 0.235 8.83 4 57.0 14.5
106 3 4 1 24.97 49.94 0.236 8.75 4 89.6 35.6
107 1 5 -2 25.084 50.169 0.237 8.66 4 98.4 42.5
108 4 4 0 25.207 50.413 0.238 8.57 4 46.8 9.5
109 2 5 -2 25.709 51.419 0.242 8.19 4 35.1 5.1
110 0 5 2 25.765 51.53 0.243 8.15 4 55.9 12.9
111 1 8 -1 25.962 51.925 0.245 8.01 4 5.2 0.1
112 3 4 -2 25.971 51.941 0.245 8.0 4 55.2 12.3
113 0 8 1 25.976 51.952 0.245 8.0 4 20.8 1.7
114 1 4 2 26.081 52.163 0.246 7.93 4 63.9 16.4
115 4 0 -2 26.24 52.48 0.247 7.82 2 297.1 174.5
116 2 8 0 26.247 52.495 0.247 7.81 4 21.9 1.9
117 2 0 2 26.405 52.81 0.249 7.71 2 281.8 154.8
118 4 1 -2 26.421 52.841 0.249 7.7 4 52.4 10.7
119 4 5 -1 26.523 53.046 0.25 7.63 4 54.7 11.6
120 2 1 2 26.585 53.169 0.25 7.59 4 25.8 2.6
121 3 5 1 26.618 53.237 0.25 7.57 4 161.5 99.9
122 3 7 0 26.721 53.442 0.251 7.5 4 89.6 30.5
123 0 9 0 26.767 53.533 0.252 7.47 2 52.7 5.3
124 4 5 0 26.844 53.689 0.252 7.42 4 36.7 5.1
125 4 2 -2 26.957 53.914 0.253 7.35 4 25.7 2.5
126 3 7 -1 27.042 54.084 0.254 7.3 4 42.7 6.7
127 1 6 -2 27.083 54.166 0.254 7.28 4 60.1 13.3
128 2 7 1 27.11 54.219 0.255 7.26 4 95.7 33.7
129 2 2 2 27.119 54.237 0.255 7.25 4 26.7 2.6
130 4 0 1 27.204 54.408 0.256 7.2 2 67.6 8.3
131 2 8 -1 27.213 54.426 0.256 7.2 4 2.0 0.0
132 1 8 1 27.253 54.507 0.256 7.17 4 60.2 13.1
133 5 1 -1 27.259 54.519 0.256 7.17 4 33.2 4.0
134 4 1 1 27.38 54.76 0.257 7.1 4 28.6 2.9
135 1 9 0 27.391 54.782 0.257 7.09 4 49.1 8.6
136 3 5 -2 27.576 55.152 0.259 6.98 4 77.2 21.0
137 2 6 -2 27.676 55.352 0.26 6.93 4 65.8 15.2
138 1 5 2 27.683 55.365 0.26 6.92 4 14.4 0.7
139 0 6 2 27.729 55.458 0.26 6.9 4 22.9 1.8
140 5 2 -1 27.784 55.569 0.261 6.86 4 35.5 4.4
141 4 3 -2 27.835 55.67 0.261 6.84 4 78.3 21.2
142 4 2 1 27.903 55.807 0.262 6.8 4 14.4 0.7
143 2 3 2 27.993 55.986 0.262 6.75 4 38.9 5.2
144 5 1 0 28.2 56.4 0.264 6.64 4 118.9 47.5
145 4 6 -1 28.45 56.901 0.266 6.51 4 110.8 40.4
146 3 6 1 28.541 57.083 0.267 6.46 4 32.0 3.3
147 5 3 -1 28.645 57.291 0.268 6.41 4 76.2 18.8
148 5 2 0 28.714 57.428 0.269 6.37 4 12.8 0.5
149 4 6 0 28.757 57.515 0.269 6.35 4 51.0 8.4
150 4 3 1 28.762 57.524 0.269 6.35 4 40.1 5.2
151 1 9 -1 28.944 57.889 0.271 6.26 4 104.3 34.4
152 0 9 1 28.957 57.915 0.271 6.25 4 66.7 14.1
153 4 4 -2 29.034 58.068 0.271 6.21 4 63.1 12.5
154 2 4 2 29.188 58.377 0.273 6.14 4 28.9 2.6
155 2 9 0 29.21 58.419 0.273 6.13 4 13.5 0.6
156 3 8 0 29.317 58.633 0.274 6.08 4 52.1 8.3
157 1 7 -2 29.323 58.645 0.274 6.08 4 74.4 17.0
158 3 6 -2 29.458 58.915 0.275 6.01 4 47.5 6.9
159 5 3 0 29.557 59.115 0.276 5.97 4 21.5 1.4
160 1 6 2 29.559 59.119 0.276 5.97 4 53.1 8.5
161 3 8 -1 29.619 59.238 0.276 5.94 4 55.8 9.4
162 2 8 1 29.682 59.365 0.277 5.91 4 9.7 0.3
163 5 4 -1 29.824 59.648 0.278 5.85 4 81.1 19.5
164 2 7 -2 29.886 59.772 0.279 5.82 4 87.5 22.6
165 0 7 2 29.937 59.873 0.279 5.8 4 76.5 17.2
166 4 4 1 29.938 59.875 0.279 5.8 4 42.1 5.2
167 0 10 0 30.026 60.053 0.28 5.76 2 76.0 8.4
168 2 9 -1 30.112 60.224 0.28 5.73 4 79.8 18.4
169 1 9 1 30.15 60.299 0.281 5.71 4 27.7 2.2
170 4 5 -2 30.532 61.064 0.284 5.55 4 53.6 8.1
171 1 10 0 30.607 61.214 0.285 5.52 4 47.3 6.2
172 5 1 -2 30.62 61.24 0.285 5.52 4 44.5 5.5
173 4 7 -1 30.625 61.25 0.285 5.51 4 81.2 18.4
174 2 5 2 30.681 61.363 0.285 5.49 4 36.3 3.7
175 3 7 1 30.712 61.424 0.285 5.48 4 22.8 1.4
176 5 4 0 30.714 61.428 0.286 5.48 4 22.8 1.4
177 3 1 2 30.819 61.638 0.286 5.44 4 54.1 8.0
178 4 7 0 30.918 61.837 0.287 5.4 4 82.9 18.8
179 2 0 -3 31.014 62.028 0.288 5.36 2 64.4 5.6
180 5 2 -2 31.109 62.218 0.289 5.33 4 6.7 0.1
181 2 1 -3 31.176 62.352 0.289 5.3 4 26.3 1.8
182 1 1 -3 31.213 62.426 0.29 5.29 4 53.3 7.6
183 5 5 -1 31.298 62.597 0.29 5.26 4 67.9 12.2
184 3 2 2 31.306 62.612 0.29 5.25 4 12.5 0.4
185 4 5 1 31.409 62.818 0.291 5.21 4 67.7 12.1
186 3 7 -2 31.589 63.179 0.293 5.15 4 36.4 3.4
187 2 2 -3 31.66 63.32 0.293 5.12 4 43.7 4.9
188 1 7 2 31.687 63.375 0.294 5.11 4 0.1 0.0
189 1 2 -3 31.697 63.393 0.294 5.11 4 12.2 0.4
190 1 8 -2 31.781 63.563 0.294 5.08 4 69.3 12.3
191 5 3 -2 31.914 63.827 0.296 5.04 4 38.2 3.7
192 1 10 -1 32.062 64.125 0.297 4.98 4 32.8 2.7
193 0 10 1 32.075 64.149 0.297 4.98 4 109.8 30.4
194 3 9 0 32.095 64.191 0.297 4.97 4 8.0 0.2
195 3 3 2 32.108 64.216 0.297 4.97 4 14.4 0.5
196 5 5 0 32.165 64.33 0.298 4.95 4 56.3 7.9
197 0 0 3 32.221 64.442 0.298 4.93 2 12.9 0.2
198 3 1 -3 32.271 64.542 0.298 4.92 4 23.5 1.4
199 4 6 -2 32.306 64.612 0.299 4.9 4 6.6 0.1
200 2 10 0 32.312 64.625 0.299 4.9 4 54.4 7.3
201 2 8 -2 32.32 64.639 0.299 4.9 4 125.9 39.3
202 0 8 2 32.368 64.736 0.299 4.88 4 18.0 0.8
203 0 1 3 32.38 64.76 0.299 4.88 4 6.9 0.1
204 3 9 -1 32.382 64.765 0.299 4.88 4 39.2 3.8
205 2 9 1 32.443 64.885 0.3 4.86 4 88.3 19.2
206 2 6 2 32.451 64.902 0.3 4.86 4 42.3 4.4
207 2 3 -3 32.457 64.914 0.3 4.85 4 28.7 2.0
208 1 3 -3 32.493 64.987 0.3 4.84 4 164.8 66.5
209 3 2 -3 32.746 65.492 0.302 4.76 4 30.1 2.2
210 0 2 3 32.854 65.708 0.303 4.73 4 144.4 49.9
211 6 0 -1 32.923 65.846 0.304 4.71 2 67.9 5.5
212 5 4 -2 33.022 66.045 0.305 4.68 4 45.8 5.0
213 4 8 -1 33.027 66.054 0.305 4.68 4 1.8 0.0
214 5 6 -1 33.049 66.099 0.305 4.67 4 39.1 3.6
215 6 1 -1 33.08 66.161 0.305 4.66 4 27.3 1.8
216 3 8 1 33.111 66.222 0.305 4.65 4 15.3 0.5
217 4 6 1 33.157 66.314 0.306 4.64 4 225.5 119.3
218 2 10 -1 33.165 66.33 0.306 4.64 4 52.1 6.4
219 1 10 1 33.201 66.402 0.306 4.62 4 81.6 15.6
220 5 1 1 33.211 66.423 0.306 4.62 4 34.7 2.8
221 3 4 2 33.213 66.427 0.306 4.62 4 24.1 1.4
222 4 8 0 33.309 66.618 0.307 4.59 4 139.2 45.0
223 0 11 0 33.397 66.794 0.308 4.57 2 95.8 10.6
224 3 3 -3 33.529 67.059 0.309 4.53 4 33.8 2.6
225 6 2 -1 33.549 67.098 0.309 4.52 4 21.9 1.1
226 2 4 -3 33.557 67.113 0.309 4.52 4 44.6 4.5
227 1 4 -3 33.592 67.184 0.309 4.51 4 43.2 4.3
228 0 3 3 33.636 67.272 0.31 4.5 4 4.2 0.0
229 5 2 1 33.679 67.359 0.31 4.49 4 17.7 0.7
230 5 6 0 33.892 67.784 0.312 4.43 4 51.7 6.0
231 1 11 0 33.945 67.891 0.312 4.41 4 212.5 100.8
232 3 8 -2 33.954 67.909 0.312 4.41 4 56.2 7.1
233 1 8 2 34.048 68.097 0.313 4.39 4 43.1 4.1
234 4 0 -3 34.286 68.571 0.315 4.32 2 48.4 2.6
235 6 3 -1 34.324 68.647 0.315 4.31 4 35.0 2.7
236 6 0 0 34.324 68.649 0.315 4.31 2 223.3 54.4
237 4 7 -2 34.338 68.676 0.315 4.31 4 58.4 7.4
238 5 5 -2 34.421 68.841 0.316 4.29 4 16.2 0.6
239 4 1 -3 34.44 68.879 0.316 4.28 4 11.8 0.3
240 1 9 -2 34.447 68.895 0.316 4.28 4 40.9 3.6
241 5 3 1 34.452 68.905 0.316 4.28 4 69.0 10.3
242 6 1 0 34.478 68.956 0.316 4.27 4 34.6 2.6
243 2 7 2 34.478 68.957 0.316 4.27 4 76.1 12.5
244 3 5 2 34.608 69.216 0.317 4.24 4 59.8 7.7
245 3 4 -3 34.612 69.223 0.318 4.24 4 81.2 14.1
246 1 1 3 34.615 69.23 0.318 4.24 4 20.3 0.9
247 0 4 3 34.717 69.433 0.318 4.21 4 58.2 7.2
248 4 2 -3 34.9 69.799 0.32 4.17 4 34.5 2.5
249 6 2 0 34.938 69.876 0.32 4.16 4 11.7 0.3
250 2 5 -3 34.944 69.889 0.32 4.16 4 61.1 7.9
251 2 9 -2 34.965 69.929 0.32 4.15 4 47.8 4.8
252 1 5 -3 34.979 69.959 0.32 4.15 4 195.7 80.4
253 0 9 2 35.011 70.022 0.321 4.14 4 12.9 0.4
254 3 10 0 35.055 70.109 0.321 4.13 4 41.3 3.6
255 5 7 -1 35.06 70.12 0.321 4.13 4 42.2 3.7
256 1 2 3 35.074 70.148 0.321 4.13 4 25.4 1.3
257 4 7 1 35.164 70.329 0.322 4.11 4 68.7 9.8
258 1 11 -1 35.328 70.656 0.323 4.07 4 30.9 2.0
259 3 10 -1 35.33 70.659 0.323 4.07 4 75.4 11.7
260 0 11 1 35.339 70.679 0.323 4.07 4 28.5 1.7
261 2 10 1 35.387 70.775 0.324 4.05 4 22.8 1.1
262 6 4 -1 35.394 70.788 0.324 4.05 4 21.4 0.9
263 6 0 -2 35.428 70.857 0.324 4.04 2 285.0 83.1
264 5 4 1 35.521 71.043 0.325 4.02 4 52.5 5.6
265 2 11 0 35.566 71.132 0.325 4.01 4 42.8 3.7
266 6 1 -2 35.58 71.16 0.325 4.01 4 21.9 1.0
267 4 9 -1 35.646 71.293 0.326 4.0 4 80.3 13.0
268 4 0 2 35.659 71.318 0.326 3.99 2 257.0 66.7
269 4 3 -3 35.66 71.321 0.326 3.99 4 9.7 0.2
270 6 3 0 35.698 71.397 0.326 3.98 4 54.5 6.0
271 3 9 1 35.727 71.454 0.326 3.98 4 4.8 0.0
272 4 1 2 35.811 71.621 0.327 3.96 4 37.4 2.8
273 1 3 3 35.833 71.666 0.327 3.96 4 67.5 9.1
274 5 7 0 35.88 71.76 0.328 3.95 4 24.3 1.2
275 4 9 0 35.918 71.837 0.328 3.94 4 41.5 3.4
276 3 5 -3 35.981 71.961 0.328 3.92 4 73.7 10.8
277 6 2 -2 36.034 72.067 0.329 3.91 4 24.1 1.1
278 0 5 3 36.084 72.168 0.329 3.9 4 40.8 3.3
279 5 6 -2 36.095 72.19 0.329 3.9 4 46.8 4.3
280 4 2 2 36.263 72.526 0.331 3.86 4 1.0 0.0
281 3 6 2 36.278 72.557 0.331 3.86 4 44.7 3.9
282 2 11 -1 36.382 72.765 0.332 3.84 4 34.8 2.4
283 1 11 1 36.417 72.833 0.332 3.83 4 68.4 9.1
284 3 9 -2 36.543 73.085 0.333 3.81 4 38.1 2.8
285 2 6 -3 36.608 73.217 0.333 3.8 4 257.3 127.0
286 4 8 -2 36.615 73.23 0.333 3.79 4 55.9 6.0
287 1 9 2 36.634 73.268 0.334 3.79 4 87.6 14.7
288 1 6 -3 36.642 73.285 0.334 3.79 4 24.6 1.2
289 4 4 -3 36.714 73.428 0.334 3.77 4 45.7 4.0
290 6 5 -1 36.751 73.502 0.334 3.77 4 60.7 7.0
291 6 4 0 36.752 73.503 0.334 3.77 4 29.7 1.7
292 2 8 2 36.752 73.504 0.334 3.77 4 32.6 2.0
293 6 3 -2 36.785 73.569 0.335 3.76 4 18.7 0.7
294 5 5 1 36.876 73.752 0.335 3.74 4 106.0 21.3
295 1 4 3 36.885 73.77 0.336 3.74 4 71.5 9.7
296 0 12 0 36.904 73.808 0.336 3.74 2 160.3 24.3
297 4 3 2 37.012 74.024 0.337 3.72 4 44.6 3.7
298 5 8 -1 37.318 74.637 0.339 3.66 4 16.6 0.5
299 1 10 -2 37.319 74.637 0.339 3.66 4 51.3 4.9
300 4 8 1 37.42 74.841 0.34 3.64 4 40.1 3.0
301 1 12 0 37.43 74.859 0.34 3.64 4 7.9 0.1
302 5 1 -3 37.599 75.197 0.341 3.61 4 36.3 2.4
303 3 6 -3 37.626 75.252 0.341 3.61 4 36.0 2.4
304 2 0 3 37.687 75.375 0.342 3.6 2 62.7 3.6
305 0 6 3 37.728 75.455 0.342 3.59 4 81.0 11.9
306 2 10 -2 37.819 75.639 0.343 3.57 4 46.5 3.9
307 6 4 -2 37.826 75.652 0.343 3.57 4 42.8 3.3
308 2 1 3 37.836 75.671 0.343 3.57 4 25.4 1.2
309 0 10 2 37.865 75.729 0.343 3.57 4 33.8 2.1
310 5 7 -2 38.034 76.069 0.344 3.54 4 12.4 0.3
311 5 2 -3 38.043 76.086 0.344 3.54 4 3.5 0.0
312 4 4 2 38.051 76.103 0.345 3.54 4 97.8 17.1
313 4 5 -3 38.052 76.105 0.345 3.54 4 41.0 3.0
314 6 5 0 38.09 76.179 0.345 3.53 4 39.5 2.8
315 5 8 0 38.119 76.238 0.345 3.52 4 62.3 6.9
316 3 11 0 38.202 76.405 0.346 3.51 4 150.1 40.0
317 3 7 2 38.214 76.428 0.346 3.51 4 29.0 1.5
318 1 5 3 38.221 76.442 0.346 3.51 4 70.1 8.7
319 2 2 3 38.279 76.558 0.346 3.5 4 14.0 0.3
320 6 6 -1 38.384 76.768 0.347 3.48 4 287.8 145.9
321 3 11 -1 38.469 76.937 0.348 3.47 4 23.5 1.0
322 4 10 -1 38.481 76.963 0.348 3.47 4 18.2 0.6
323 5 6 1 38.507 77.015 0.348 3.46 4 32.6 1.9
324 2 11 1 38.525 77.049 0.348 3.46 4 37.7 2.5
325 2 7 -3 38.538 77.076 0.348 3.46 4 75.6 10.0
326 3 10 1 38.56 77.12 0.348 3.45 4 47.7 4.0
327 1 7 -3 38.572 77.144 0.349 3.45 4 73.6 9.5
328 4 10 0 38.746 77.492 0.35 3.43 4 42.1 3.1
329 1 12 -1 38.761 77.522 0.35 3.42 4 11.0 0.2
330 0 12 1 38.772 77.545 0.35 3.42 4 17.0 0.5
331 5 3 -3 38.78 77.559 0.35 3.42 4 121.8 25.7
332 2 12 0 38.992 77.983 0.352 3.39 4 55.9 5.4
333 2 3 3 39.014 78.029 0.352 3.39 4 35.4 2.1
334 4 9 -2 39.132 78.265 0.353 3.37 4 12.6 0.3
335 6 5 -2 39.152 78.303 0.353 3.37 4 27.9 1.3
336 2 9 2 39.266 78.532 0.354 3.35 4 37.7 2.4
337 3 10 -2 39.354 78.709 0.354 3.34 4 40.1 2.7
338 4 5 2 39.374 78.749 0.355 3.34 4 33.6 1.9
339 1 10 2 39.443 78.887 0.355 3.33 4 34.2 2.0
340 6 0 1 39.447 78.893 0.355 3.33 2 25.5 0.5
341 7 1 -1 39.448 78.896 0.355 3.33 4 34.9 2.1
342 3 7 -3 39.539 79.078 0.356 3.31 4 18.7 0.6
343 6 1 1 39.593 79.186 0.356 3.31 4 5.6 0.1
344 0 7 3 39.639 79.278 0.357 3.3 4 69.5 8.1
345 4 6 -3 39.668 79.336 0.357 3.3 4 70.7 8.3
346 6 6 0 39.704 79.409 0.357 3.29 4 47.2 3.7
347 2 12 -1 39.783 79.565 0.358 3.28 4 14.8 0.4
348 5 4 -3 39.804 79.608 0.358 3.28 4 42.3 3.0
349 1 12 1 39.816 79.632 0.358 3.28 4 0.4 0.0
350 5 9 -1 39.821 79.642 0.358 3.28 4 45.9 3.5
351 1 6 3 39.834 79.669 0.358 3.28 4 30.9 1.6
352 7 2 -1 39.886 79.772 0.358 3.27 4 12.0 0.2
353 4 9 1 39.921 79.842 0.359 3.26 4 37.2 2.3
354 6 2 1 40.03 80.061 0.36 3.25 4 86.0 12.2
355 2 4 3 40.037 80.074 0.36 3.25 4 29.1 1.4
356 5 8 -2 40.233 80.466 0.361 3.23 4 52.4 4.5
357 6 7 -1 40.286 80.573 0.361 3.22 4 66.4 7.2
358 1 11 -2 40.403 80.807 0.362 3.21 4 66.8 7.2
359 5 7 1 40.408 80.816 0.362 3.21 4 32.9 1.7
360 3 8 2 40.41 80.82 0.362 3.2 4 64.4 6.7
361 0 13 0 40.581 81.161 0.364 3.18 2 46.9 1.8
362 5 9 0 40.607 81.214 0.364 3.18 4 22.6 0.8
363 7 3 -1 40.613 81.227 0.364 3.18 4 87.5 12.3
364 2 8 -3 40.729 81.458 0.365 3.17 4 38.2 2.3
365 6 6 -2 40.755 81.509 0.365 3.17 4 48.5 3.8
366 6 3 1 40.757 81.514 0.365 3.16 4 5.2 0.0
367 1 8 -3 40.762 81.524 0.365 3.16 4 44.2 3.1
368 2 11 -2 40.893 81.786 0.366 3.15 4 79.4 10.0
369 0 11 2 40.937 81.875 0.366 3.14 4 27.1 1.2
370 4 6 2 40.975 81.951 0.367 3.14 4 51.5 4.2
371 1 13 0 41.092 82.184 0.367 3.13 4 71.7 8.1
372 5 5 -3 41.112 82.224 0.368 3.13 4 110.6 19.4
373 7 1 0 41.281 82.563 0.369 3.11 4 39.7 2.5
374 7 1 -2 41.283 82.566 0.369 3.11 4 29.0 1.3
375 2 5 3 41.343 82.687 0.369 3.1 4 54.7 4.7
376 4 11 -1 41.542 83.084 0.371 3.08 4 31.9 1.6
377 6 0 -3 41.544 83.089 0.371 3.08 2 36.9 1.1
378 5 1 2 41.547 83.095 0.371 3.08 4 133.0 27.6
379 4 7 -3 41.555 83.111 0.371 3.08 4 69.0 7.4
380 3 12 0 41.557 83.115 0.371 3.08 4 9.8 0.1
381 6 7 0 41.592 83.183 0.371 3.08 4 67.6 7.1
382 3 11 1 41.619 83.238 0.371 3.07 4 22.0 0.8
383 7 4 -1 41.627 83.254 0.371 3.07 4 42.1 2.8
384 6 1 -3 41.689 83.378 0.372 3.07 4 21.6 0.7
385 7 2 0 41.715 83.43 0.372 3.07 4 23.8 0.9
386 7 2 -2 41.717 83.434 0.372 3.06 4 13.9 0.3
387 3 8 -3 41.717 83.434 0.372 3.06 4 9.7 0.1
388 1 7 3 41.72 83.44 0.372 3.06 4 11.7 0.2
389 6 4 1 41.77 83.54 0.372 3.06 4 59.1 5.4
390 4 11 0 41.802 83.603 0.373 3.06 4 60.2 5.6
391 0 8 3 41.816 83.632 0.373 3.06 4 0.4 0.0
392 3 12 -1 41.818 83.636 0.373 3.06 4 4.7 0.0
393 2 12 1 41.873 83.746 0.373 3.05 4 12.9 0.3
394 4 10 -2 41.893 83.786 0.373 3.05 4 55.0 4.7
395 5 2 2 41.98 83.961 0.374 3.04 4 23.2 0.8
396 3 1 3 41.986 83.971 0.374 3.04 4 36.9 2.1
397 2 10 2 42.025 84.05 0.374 3.04 4 40.5 2.5
398 6 2 -3 42.122 84.244 0.375 3.03 4 69.9 7.5
399 1 13 -1 42.393 84.787 0.377 3.0 4 69.4 7.3
400 3 11 -2 42.4 84.8 0.377 3.0 4 177.2 47.7
401 0 13 1 42.404 84.809 0.377 3.0 4 34.3 1.8
402 3 2 3 42.418 84.836 0.377 3.0 4 18.1 0.5
403 7 3 0 42.436 84.872 0.377 3.0 4 87.8 11.7
404 7 3 -2 42.438 84.876 0.377 3.0 4 6.1 0.1
405 6 8 -1 42.456 84.913 0.377 3.0 4 50.1 3.8
406 1 11 2 42.488 84.975 0.378 3.0 4 173.8 45.8
407 5 10 -1 42.572 85.144 0.378 2.99 4 36.2 2.0
408 5 8 1 42.577 85.154 0.378 2.99 4 30.7 1.4
409 2 13 0 42.619 85.239 0.379 2.98 4 50.4 3.8
410 6 7 -2 42.633 85.265 0.379 2.98 4 73.7 8.2
411 4 10 1 42.671 85.341 0.379 2.98 4 56.5 4.8
412 5 9 -2 42.691 85.382 0.379 2.98 4 59.5 5.3
413 5 6 -3 42.7 85.399 0.379 2.98 4 24.6 0.9
414 5 3 2 42.701 85.402 0.379 2.98 4 132.1 26.3
415 6 3 -3 42.842 85.684 0.38 2.97 4 16.8 0.4
416 4 7 2 42.852 85.703 0.38 2.97 4 67.0 6.7
417 3 9 2 42.866 85.733 0.38 2.96 4 17.0 0.4
418 7 5 -1 42.924 85.848 0.381 2.96 4 166.5 41.5
419 2 6 3 42.93 85.859 0.381 2.96 4 141.0 29.8
420 6 5 1 43.067 86.133 0.382 2.95 4 26.0 1.0
421 3 3 3 43.138 86.275 0.382 2.94 4 33.9 1.7
422 2 9 -3 43.183 86.365 0.383 2.94 4 38.6 2.2
423 2 0 -4 43.197 86.393 0.383 2.94 2 88.7 5.9
424 1 9 -3 43.215 86.431 0.383 2.94 4 49.6 3.7
425 2 1 -4 43.34 86.681 0.384 2.93 4 42.2 2.6
426 5 10 0 43.349 86.698 0.384 2.93 4 58.1 5.0
427 2 13 -1 43.397 86.795 0.384 2.92 4 30.3 1.4
428 1 13 1 43.43 86.86 0.384 2.92 4 3.6 0.0
429 7 4 0 43.443 86.886 0.384 2.92 4 54.4 4.4
430 7 4 -2 43.445 86.89 0.384 2.92 4 21.1 0.7
431 5 4 2 43.707 87.414 0.386 2.9 4 52.5 4.1
432 4 8 -3 43.715 87.43 0.386 2.9 4 0.5 0.0
433 1 12 -2 43.722 87.445 0.386 2.9 4 23.6 0.8
434 6 8 0 43.751 87.502 0.387 2.9 4 24.8 0.9
435 2 2 -4 43.771 87.543 0.387 2.9 4 25.1 0.9
436 3 1 -4 43.803 87.607 0.387 2.9 4 88.4 11.5
437 6 4 -3 43.848 87.696 0.387 2.89 4 42.5 2.6
438 1 8 3 43.879 87.758 0.387 2.89 4 14.4 0.3
439 1 1 -4 43.891 87.781 0.388 2.89 4 94.0 12.9
440 3 4 3 44.143 88.286 0.389 2.88 4 47.7 3.3
441 3 9 -3 44.163 88.326 0.389 2.87 4 57.0 4.7
442 2 12 -2 44.207 88.414 0.39 2.87 4 140.0 28.5
443 3 2 -4 44.234 88.468 0.39 2.87 4 6.2 0.1
444 0 12 2 44.251 88.501 0.39 2.87 4 126.3 23.1
445 0 9 3 44.261 88.523 0.39 2.87 4 79.1 9.1
446 1 2 -4 44.321 88.643 0.391 2.86 4 20.2 0.6
447 0 14 0 44.472 88.943 0.392 2.86 2 83.3 5.0
448 2 3 -4 44.489 88.978 0.392 2.86 4 54.2 4.2
449 7 6 -1 44.504 89.008 0.392 2.85 4 18.6 0.5
450 5 7 -3 44.567 89.134 0.392 2.85 4 22.7 0.7
451 6 6 1 44.646 89.292 0.393 2.85 4 30.2 1.3
452 7 5 0 44.735 89.47 0.393 2.84 4 9.6 0.1
453 7 5 -2 44.737 89.474 0.393 2.84 4 64.0 5.9
454 6 8 -2 44.787 89.575 0.394 2.84 4 87.4 11.0
455 2 7 3 44.796 89.593 0.394 2.84 4 52.6 4.0
456 4 12 -1 44.85 89.7 0.394 2.84 4 5.8 0.0
457 6 9 -1 44.899 89.797 0.395 2.83 4 34.8 1.7
458 4 11 -2 44.912 89.824 0.395 2.83 4 44.4 2.8
459 3 12 1 44.927 89.853 0.395 2.83 4 3.9 0.0
460 3 3 -4 44.951 89.903 0.395 2.83 4 38.2 2.1
461 1 14 0 44.978 89.955 0.395 2.83 4 22.5 0.7
462 5 5 2 44.999 89.998 0.395 2.83 4 57.4 4.7
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 1 0 2.868 5.737 17.875 212.4 35.2 35.8 5.5
2 1 1 0 6.112 12.224 8.40096 42.2 7.0 7.1 5.6
3 0 3 0 8.634 17.268 5.95833 15.9 2.6 2.7 5.6
4 1 3 0 10.201 20.403 5.05031 58.6 9.7 9.8 5.6
5 0 0 1 10.237 20.475 5.03273 101.7 16.8 17.0 5.6
6 1 1 -1 10.61 21.22 4.85798 16.3 2.7 2.7 5.6
7 0 1 1 10.64 21.28 4.84438 38.7 6.4 6.4 5.6
8 2 0 0 10.834 21.667 4.7588 243.5 40.3 40.6 5.6
9 2 1 0 11.216 22.432 4.59863 103.1 17.1 17.2 5.6
10 0 4 0 11.546 23.092 4.46875 26.3 4.4 4.4 5.6
11 1 2 -1 11.742 23.484 4.39536 102.1 16.9 17.0 5.6
12 2 2 0 12.295 24.59 4.20048 33.5 5.6 5.6 5.6
13 1 4 0 12.775 25.55 4.04506 101.3 16.8 16.8 5.6
14 2 1 -1 13.1 26.201 3.94627 12.7 2.1 2.1 5.6
15 1 1 1 13.174 26.349 3.92449 80.0 13.3 13.3 5.6
16 0 3 1 13.453 26.906 3.84476 20.4 3.4 3.4 5.6
17 2 3 0 13.919 27.838 3.71839 155.5 25.8 25.8 5.6
18 2 2 -1 14.044 28.088 3.68598 53.5 8.9 8.9 5.6
19 0 5 0 14.489 28.979 3.575 11.3 1.9 1.9 5.6
20 0 4 1 15.526 31.052 3.34156 241.3 40.0 40.0 5.6
21 1 3 1 15.562 31.125 3.33396 603.9 100.0 100.0 5.6
22 2 4 0 15.937 31.874 3.2576 218.3 36.1 36.1 5.6
23 3 1 0 16.639 33.278 3.12372 144.3 23.9 23.8 5.6
24 3 1 -1 17.105 34.211 3.04104 38.9 6.4 6.4 5.7
25 2 4 -1 17.351 34.701 2.99935 20.2 3.3 3.3 5.7
26 1 4 1 17.408 34.816 2.98975 33.7 5.6 5.6 5.7
27 0 6 0 17.472 34.944 2.97917 28.7 4.7 4.7 5.7
28 0 5 1 17.872 35.745 2.91451 42.5 7.0 7.0 5.7
29 2 2 1 17.95 35.9 2.90236 295.2 48.9 48.7 5.7
30 2 5 0 18.236 36.472 2.8583 38.4 6.4 6.3 5.7
31 1 6 0 18.337 36.674 2.84314 37.0 6.1 6.1 5.7
32 3 3 0 18.627 37.255 2.80032 160.9 26.6 26.5 5.7
33 3 3 -1 19.051 38.102 2.74029 336.5 55.7 55.4 5.7
34 2 5 -1 19.504 39.008 2.67906 25.9 4.3 4.3 5.7
35 1 5 1 19.556 39.112 2.67221 384.1 63.6 63.1 5.7
36 3 4 0 20.228 40.457 2.58691 29.3 4.9 4.8 5.7
37 0 6 1 20.42 40.84 2.56366 311.3 51.5 51.1 5.7
38 0 7 0 20.504 41.009 2.55357 40.5 6.7 6.7 5.7
39 3 4 -1 20.624 41.249 2.53936 21.4 3.5 3.5 5.7
40 2 4 1 20.707 41.414 2.52966 29.9 4.9 4.9 5.7
41 2 0 -2 20.756 41.511 2.52399 426.6 70.6 70.0 5.7
42 0 1 2 21.036 42.073 2.4918 14.2 2.3 2.3 5.7
43 0 2 2 21.671 43.342 2.42219 9.7 1.6 1.6 5.7
44 1 3 -2 21.946 43.891 2.39335 19.7 3.3 3.2 5.7
45 3 1 1 22.026 44.053 2.38502 8.4 1.4 1.4 5.7
46 4 0 0 22.081 44.162 2.3794 44.2 7.3 7.2 5.7
47 3 5 0 22.145 44.289 2.37291 40.1 6.6 6.6 5.7
48 3 5 -1 22.513 45.026 2.33605 247.5 41.0 40.4 5.7
49 2 5 1 22.59 45.18 2.3285 18.3 3.0 3.0 5.7
50 3 2 1 22.639 45.277 2.32378 12.5 2.1 2.0 5.7
51 0 3 2 22.697 45.394 2.31811 32.8 5.4 5.4 5.7
52 4 2 0 22.893 45.786 2.29931 7.3 1.2 1.2 5.7
53 0 7 1 23.128 46.256 2.27721 104.3 17.3 17.0 5.7
54 2 7 0 23.423 46.847 2.25009 28.5 4.7 4.7 5.7
55 3 3 1 23.631 47.263 2.23141 54.1 9.0 8.8 5.7
56 4 3 0 23.878 47.755 2.20972 6.8 1.1 1.1 5.7
57 2 4 -2 24.017 48.033 2.19768 67.9 11.2 11.1 5.7
58 0 4 2 24.075 48.151 2.19264 12.1 2.0 2.0 5.7
59 1 8 0 24.28 48.561 2.17524 29.0 4.8 4.7 5.7
60 3 6 0 24.322 48.644 2.17173 15.0 2.5 2.4 5.7
61 2 7 -1 24.469 48.938 2.15947 27.0 4.5 4.4 5.7
62 1 7 1 24.513 49.025 2.15588 8.5 1.4 1.4 5.7
63 3 3 -2 24.672 49.343 2.14284 66.1 10.9 10.8 5.7
64 2 6 1 24.737 49.474 2.13753 231.5 38.3 37.6 5.7
65 1 3 2 24.787 49.573 2.13352 7.0 1.2 1.1 5.7
66 4 4 -1 24.87 49.74 2.12681 14.5 2.4 2.4 5.7
67 3 4 1 24.97 49.94 2.11883 35.6 5.9 5.8 5.7
68 1 5 -2 25.084 50.169 2.10981 42.5 7.0 6.9 5.7
69 4 4 0 25.207 50.413 2.10024 9.5 1.6 1.5 5.8
70 0 5 2 25.765 51.53 2.05773 12.9 2.1 2.1 5.8
71 3 4 -2 25.971 51.941 2.04256 14.1 2.3 2.3 5.8
72 1 4 2 26.081 52.163 2.03449 16.4 2.7 2.7 5.8
73 4 0 -2 26.24 52.48 2.02305 176.4 29.2 28.6 5.8
74 2 0 2 26.405 52.81 2.01132 165.5 27.4 26.8 5.8
75 4 5 -1 26.523 53.046 2.00303 11.6 1.9 1.9 5.8
76 3 5 1 26.618 53.237 1.99636 99.9 16.5 16.2 5.8
77 3 7 0 26.721 53.442 1.98924 30.5 5.0 4.9 5.8
78 3 7 -1 27.042 54.084 1.96738 6.7 1.1 1.1 5.8
79 2 7 1 27.11 54.219 1.96286 49.6 8.2 8.0 5.8
80 4 0 1 27.204 54.408 1.95657 8.3 1.4 1.3 5.8
81 1 8 1 27.253 54.507 1.95328 17.1 2.8 2.8 5.8
82 1 9 0 27.391 54.782 1.94423 11.6 1.9 1.9 5.8
83 3 5 -2 27.576 55.152 1.93218 21.0 3.5 3.4 5.8
84 2 6 -2 27.676 55.352 1.92577 15.9 2.6 2.6 5.8
85 4 3 -2 27.835 55.67 1.91564 21.2 3.5 3.4 5.8
86 5 1 0 28.2 56.4 1.89282 47.5 7.9 7.7 5.8
87 4 6 -1 28.45 56.901 1.87755 40.4 6.7 6.5 5.8
88 5 3 -1 28.645 57.291 1.86584 18.8 3.1 3.0 5.8
89 4 6 0 28.757 57.515 1.8592 13.5 2.2 2.2 5.8
90 1 9 -1 28.944 57.889 1.84821 48.5 8.0 7.8 5.8
91 4 4 -2 29.034 58.068 1.84299 12.5 2.1 2.0 5.8
92 1 7 -2 29.323 58.645 1.82645 25.4 4.2 4.1 5.8
93 3 6 -2 29.458 58.915 1.81883 6.9 1.1 1.1 5.8
94 1 6 2 29.559 59.119 1.81312 9.9 1.6 1.6 5.8
95 3 8 -1 29.619 59.238 1.80981 9.4 1.6 1.5 5.8
96 5 4 -1 29.824 59.648 1.79851 19.5 3.2 3.1 5.8
97 2 7 -2 29.886 59.772 1.7951 22.6 3.7 3.6 5.8
98 0 7 2 29.937 59.873 1.79235 22.4 3.7 3.6 5.8
99 0 10 0 30.026 60.053 1.7875 8.4 1.4 1.4 5.8
100 2 9 -1 30.112 60.224 1.7829 18.4 3.1 3.0 5.8
101 4 5 -2 30.532 61.064 1.76069 8.1 1.3 1.3 5.8
102 4 7 -1 30.625 61.25 1.75585 30.1 5.0 4.8 5.8
103 3 1 2 30.819 61.638 1.74587 8.0 1.3 1.3 5.8
104 4 7 0 30.918 61.837 1.74081 18.8 3.1 3.0 5.8
105 1 1 -3 31.213 62.426 1.72601 7.6 1.3 1.2 5.8
106 5 5 -1 31.298 62.597 1.72178 12.7 2.1 2.0 5.8
107 4 5 1 31.409 62.818 1.71634 12.1 2.0 1.9 5.9
108 1 8 -2 31.781 63.563 1.6983 12.3 2.0 2.0 5.9
109 0 10 1 32.075 64.149 1.68441 33.1 5.5 5.3 5.9
110 5 5 0 32.165 64.33 1.68019 7.9 1.3 1.3 5.9
111 2 8 -2 32.32 64.639 1.67301 46.6 7.7 7.4 5.9
112 2 9 1 32.443 64.885 1.66736 25.6 4.2 4.1 5.9
113 1 3 -3 32.493 64.987 1.66503 66.5 11.0 10.6 5.9
114 0 2 3 32.854 65.708 1.64878 49.9 8.3 7.9 5.9
115 5 4 -2 33.022 66.045 1.64131 8.6 1.4 1.4 5.9
116 4 6 1 33.157 66.314 1.63541 125.7 20.8 19.9 5.9
117 1 10 1 33.201 66.402 1.63349 19.7 3.3 3.1 5.9
118 4 8 0 33.309 66.618 1.6288 45.0 7.4 7.1 5.9
119 0 11 0 33.397 66.794 1.625 10.6 1.8 1.7 5.9
120 2 4 -3 33.557 67.113 1.61817 8.3 1.4 1.3 5.9
121 1 11 0 33.945 67.891 1.60182 107.8 17.9 17.1 5.9
122 4 7 -2 34.338 68.676 1.58572 64.5 10.7 10.2 5.9
123 2 7 2 34.478 68.957 1.58005 29.0 4.8 4.6 5.9
124 3 4 -3 34.612 69.223 1.57473 22.7 3.8 3.6 5.9
125 0 4 3 34.717 69.433 1.57056 7.2 1.2 1.1 5.9
126 2 5 -3 34.944 69.889 1.56161 12.7 2.1 2.0 5.9
127 1 5 -3 34.979 69.959 1.56025 80.4 13.3 12.7 5.9
128 5 7 -1 35.06 70.12 1.55712 8.6 1.4 1.4 5.9
129 4 7 1 35.164 70.329 1.55309 9.8 1.6 1.5 5.9
130 3 10 -1 35.33 70.659 1.54676 15.3 2.5 2.4 5.9
131 6 0 -2 35.428 70.857 1.54301 83.1 13.8 13.1 5.9
132 4 0 2 35.659 71.318 1.53433 79.9 13.2 12.6 5.9
133 1 3 3 35.833 71.666 1.52788 11.9 2.0 1.9 5.9
134 3 5 -3 35.981 71.961 1.52245 10.8 1.8 1.7 5.9
135 5 6 -2 36.095 72.19 1.51828 7.6 1.3 1.2 5.9
136 1 11 1 36.417 72.833 1.50671 9.1 1.5 1.4 6.0
137 2 6 -3 36.608 73.217 1.49991 147.8 24.5 23.2 6.0
138 6 5 -1 36.751 73.502 1.49491 10.7 1.8 1.7 6.0
139 0 12 0 36.904 73.808 1.48958 55.2 9.1 8.6 6.0
140 0 6 3 37.728 75.455 1.46176 11.9 2.0 1.9 6.0
141 2 10 -2 37.819 75.639 1.45873 8.4 1.4 1.3 6.0
142 4 4 2 38.051 76.103 1.45118 20.1 3.3 3.1 6.0
143 5 8 0 38.119 76.238 1.44899 9.7 1.6 1.5 6.0
144 3 11 0 38.202 76.405 1.44631 50.2 8.3 7.8 6.0
145 6 6 -1 38.384 76.768 1.44052 145.9 24.2 22.7 6.0
146 2 7 -3 38.538 77.076 1.43565 18.3 3.0 2.9 6.0
147 1 7 -3 38.572 77.144 1.43459 9.5 1.6 1.5 6.0
148 5 3 -3 38.78 77.559 1.4281 25.7 4.3 4.0 6.0
149 2 12 0 38.992 77.983 1.42157 7.5 1.2 1.2 6.0
150 4 6 -3 39.668 79.336 1.40124 16.4 2.7 2.5 6.0
151 5 9 -1 39.821 79.642 1.39674 8.0 1.3 1.2 6.0
152 6 2 1 40.03 80.061 1.39066 13.6 2.2 2.1 6.0
153 6 7 -1 40.286 80.573 1.38331 7.2 1.2 1.1 6.1
154 1 11 -2 40.403 80.807 1.37999 15.7 2.6 2.4 6.1
155 7 3 -1 40.613 81.227 1.37408 12.3 2.0 1.9 6.1
156 6 6 -2 40.755 81.509 1.37014 9.3 1.5 1.4 6.1
157 2 11 -2 40.893 81.786 1.36632 10.0 1.7 1.5 6.1
158 5 5 -3 41.112 82.224 1.36033 27.5 4.6 4.2 6.1
159 4 7 -3 41.555 83.111 1.34841 37.8 6.3 5.8 6.1
160 6 7 0 41.592 83.183 1.34745 7.9 1.3 1.2 6.1
161 6 2 -3 42.122 84.244 1.3336 7.5 1.2 1.1 6.1
162 3 11 -2 42.4 84.8 1.3265 57.3 9.5 8.8 6.1
163 7 3 0 42.436 84.872 1.32558 15.5 2.6 2.4 6.1
164 1 11 2 42.488 84.975 1.32428 45.8 7.6 7.0 6.1
165 6 7 -2 42.633 85.265 1.32064 12.0 2.0 1.8 6.1
166 5 3 2 42.701 85.402 1.31893 37.3 6.2 5.7 6.1
167 4 7 2 42.852 85.703 1.31518 7.2 1.2 1.1 6.1
168 7 5 -1 42.924 85.848 1.31339 71.3 11.8 10.9 6.1
169 2 0 -4 43.197 86.393 1.30673 11.7 1.9 1.8 6.1
170 5 10 0 43.349 86.698 1.30304 7.6 1.3 1.2 6.1
171 3 1 -4 43.803 87.607 1.29223 11.5 1.9 1.7 6.2
172 1 1 -4 43.891 87.781 1.29018 12.9 2.1 2.0 6.2
173 3 9 -3 44.163 88.326 1.28385 8.0 1.3 1.2 6.2
174 2 12 -2 44.207 88.414 1.28284 28.5 4.7 4.3 6.2
175 0 12 2 44.251 88.501 1.28183 32.2 5.3 4.9 6.2
176 0 14 0 44.472 88.943 1.27679 9.3 1.5 1.4 6.2
177 6 8 -2 44.787 89.575 1.26968 14.9 2.5 2.3 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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