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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MUNAKATAITE
1
Pb(2)Cu(2)[Se++++O(3)][SO(4)](OH)(4)
Monoclinic P 2(1)/m Z = 2
P2(1)/m
8 .4 .11
Ref.Str.:
Kampf A.R. Mills S.J., Housley R.M. (2010)
* Mineral. Mag., 74, 991-998
R: from Otto Mountain, San Bernardino County, California, USA.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.802 alpha = 90.0
b = 5.675 beta = 102.44
c = 9.281 gamma = 90.0
Unit cell volume (cub. angs.) = 504.14
Molar volume ( cub.cm/mol.) = 151.83
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3169 0.25 0.4185 0.0 Pb = 0.98, Pb = 0.0
2 0.3358 0.25 0.9755 0.0 Pb = 0.96, Pb = 0.0
3 0.9886 0.9998 0.2442 0.0 Cu = 0.95, Cu = 0.0
4 0.3597 0.75 0.2215 0.0 Se = 0.85, S = 0.15
5 0.3349 0.75 0.6883 0.0 S = 1.00
6 0.376 0.75 0.0476 0.0 O = 1.00
7 0.2514 0.5148 0.2152 0.0 O = 1.00
8 0.4828 0.75 0.7514 0.0 O = 1.00
9 0.3154 0.75 0.5248 0.0 O = 1.00
10 0.269 0.963 0.7326 0.0 O = 1.00
11 0.026 0.75 0.3883 0.0 OH = 1.00
12 0.119 0.75 0.4 0.0 H = 1.00
13 0.0775 0.25 0.378 0.0 OH = 1.00
14 0.06 0.25 0.47 0.0 H = 1.00
15 0.0529 0.75 0.8975 0.0 OH = 1.00
16 0.141 0.75 0.95 0.0 H = 1.00
17 0.0881 0.25 0.8924 0.0 OH = 1.00
18 0.07 0.25 0.984 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3169 0.25 0.4185
2 2 0.3358 0.25 0.9755
3 3 0.9886 0.9998 0.2442
4 4 0.3597 0.75 0.2215
5 5 0.3349 0.75 0.6883
6 6 0.376 0.75 0.0476
7 7 0.2514 0.5148 0.2152
8 8 0.4828 0.75 0.7514
9 9 0.3154 0.75 0.5248
10 10 0.269 0.963 0.7326
11 11 0.026 0.75 0.3883
12 12 0.119 0.75 0.4
13 13 0.0775 0.25 0.378
14 14 0.06 0.25 0.47
15 15 0.0529 0.75 0.8975
16 16 0.141 0.75 0.95
17 17 0.0881 0.25 0.8924
18 18 0.07 0.25 0.984
19 1 0.6831 0.75 0.5815
20 2 0.6642 0.75 0.0245
21 3 0.0114 0.4998 0.7558
22 4 0.6403 0.25 0.7785
23 5 0.6651 0.25 0.3117
24 6 0.624 0.25 0.9524
25 7 0.7486 0.0148 0.7848
26 8 0.5172 0.25 0.2486
27 9 0.6846 0.25 0.4752
28 10 0.731 0.463 0.2674
29 11 0.974 0.25 0.6117
30 12 0.881 0.25 0.6
31 13 0.9225 0.75 0.622
32 14 0.94 0.75 0.53
33 15 0.9471 0.25 0.1025
34 16 0.859 0.25 0.05
35 17 0.9119 0.75 0.1076
36 18 0.93 0.75 0.016
37 3 0.9886 0.5002 0.2442
38 7 0.2514 0.9852 0.2152
39 10 0.269 0.537 0.7326
40 3 0.0114 0.0002 0.7558
41 7 0.7486 0.4852 0.7848
42 10 0.731 0.037 0.2674
X-ray density (g/cm cub.) = 5.33
MU (1/cm) = 729.842 Mass attenuation coefficient (cm**2/g) = 136.972
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Pb 3.192 6
2.3896 7
3.0051 9
3.0051 9
2.2955 13
2.7704 8
2.3896 7
2 Pb ,Pb 3.192 9
2.9225 6
2.9225 6
2.947 7
2.7435 10
2.3838 17
2.8788 6
2.7649 8
2.947 7
2.7435 10
3 Cu ,Cu 2.856 6
1.929 11
1.9624 13
1.9185 15
1.9421 17
2.6484 7
2.5886 10
4 Se ,S 2.508 3
1.6558 6
1.6986 7
1.6986 7
5 S 2.028 4
1.4418 8
1.488 9
1.4703 10
1.4703 10
6 O 3.312 6
2.5518 7
3.1454 8
3.1284 10
3.1732 15
2.5518 7
3.1284 10
7 O 3.312 8
2.5518 6
3.1072 9
3.2823 11
2.9252 13
2.9655 8
3.3022 15
2.6695 7
3.0055 7
8 O 3.312 6
3.1454 6
2.3724 9
2.3929 10
2.9655 7
2.3929 10
2.9655 7
9 O 3.312 6
3.1072 7
2.3724 8
2.4011 10
2.8466 11
3.1072 7
2.4011 10
10 O 3.312 8
3.1284 6
2.3929 8
2.4011 9
3.1124 15
3.0216 17
3.2977 11
3.2575 10
2.4176 10
11 OH 3.36 9
3.2823 7
2.8466 9
2.8872 13
2.8872 13
3.2977 10
2.5849 13
2.6043 17
3.2823 7
3.2977 10
12 H 1.68 1
0.8945 11
13 OH 3.36 6
2.9252 7
2.8872 11
2.8872 11
2.5849 11
2.6006 15
2.9252 7
14 H 1.68 1
0.9064 13
15 OH 3.36 9
3.1732 6
3.1124 10
2.86 17
2.86 17
3.3022 7
2.6006 13
2.6218 17
3.1124 10
3.3022 7
16 H 1.68 1
0.8954 15
17 OH 3.36 6
3.0216 10
2.86 15
2.86 15
2.6043 11
2.6218 15
3.0216 10
18 H 1.68 1
0.9051 17
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 0 4.616 9.232 0.052 305.85 2 62.3 933.3
2 0 0 1 4.876 9.751 0.055 273.89 2 21.7 101.3
3 1 0 -1 5.952 11.904 0.067 183.04 2 35.8 184.3
4 1 0 1 7.413 14.826 0.084 117.19 2 78.1 562.3
5 1 1 0 9.079 18.158 0.102 77.39 4 152.7 2840.9
6 0 1 1 9.215 18.431 0.104 75.05 4 35.9 152.4
7 2 0 0 9.262 18.524 0.104 74.28 2 99.8 582.7
8 2 0 -1 9.499 18.997 0.107 70.52 2 44.0 107.3
9 0 0 2 9.787 19.574 0.11 66.3 2 9.0 4.2
10 1 1 -1 9.835 19.67 0.111 65.63 4 18.1 33.7
11 1 0 -2 9.886 19.772 0.111 64.93 2 241.5 2980.0
12 1 1 1 10.794 21.587 0.122 54.13 4 0.2 0.0
13 2 0 1 11.393 22.787 0.128 48.36 2 98.0 365.5
14 1 0 2 11.721 23.441 0.132 45.58 2 23.7 20.2
15 2 0 -2 11.969 23.938 0.135 43.62 2 108.5 404.0
16 2 1 0 12.154 24.308 0.137 42.24 4 106.8 758.9
17 2 1 -1 12.338 24.675 0.139 40.93 4 2.7 0.5
18 0 1 2 12.564 25.128 0.141 39.4 4 206.2 2635.9
19 1 1 -2 12.642 25.284 0.142 38.89 4 119.0 866.1
20 3 0 -1 13.771 27.543 0.155 32.45 2 10.0 2.6
21 2 1 1 13.868 27.735 0.156 31.98 4 54.4 148.9
22 3 0 0 13.971 27.941 0.157 31.48 2 454.3 5112.4
23 1 1 2 14.141 28.282 0.159 30.68 4 310.0 4638.9
24 2 1 -2 14.351 28.701 0.161 29.73 4 327.2 5008.3
25 1 0 -3 14.495 28.99 0.162 29.1 2 3.1 0.2
26 0 0 3 14.772 29.544 0.166 27.95 2 93.4 192.0
27 2 0 2 14.954 29.909 0.168 27.22 2 181.0 702.2
28 3 0 -2 15.285 30.57 0.171 25.98 2 49.9 50.9
29 2 0 -3 15.701 31.402 0.176 24.52 2 67.0 86.6
30 0 2 0 15.751 31.503 0.176 24.35 2 286.1 1567.9
31 3 0 1 15.823 31.647 0.177 24.11 2 30.1 17.2
32 3 1 -1 15.904 31.808 0.178 23.85 4 12.3 5.6
33 3 1 0 16.079 32.158 0.18 23.29 4 49.9 91.3
34 1 2 0 16.448 32.896 0.184 22.18 4 225.3 1771.0
35 1 0 3 16.465 32.93 0.184 22.13 2 111.6 216.7
36 0 2 1 16.526 33.053 0.185 21.95 4 7.4 1.9
37 1 1 -3 16.543 33.085 0.185 21.9 4 127.7 562.5
38 0 1 3 16.789 33.579 0.187 21.21 4 85.0 240.9
39 1 2 -1 16.894 33.787 0.189 20.92 4 36.4 43.6
40 2 1 2 16.952 33.904 0.189 20.77 4 85.9 241.4
41 3 1 -2 17.248 34.496 0.192 20.0 4 168.8 897.2
42 1 2 1 17.492 34.983 0.195 19.4 4 87.3 232.5
43 2 1 -3 17.623 35.245 0.197 19.08 4 24.9 18.7
44 3 1 1 17.733 35.467 0.198 18.82 4 30.1 26.9
45 3 0 -3 18.124 36.249 0.202 17.94 2 60.3 51.3
46 1 1 3 18.316 36.631 0.204 17.54 4 67.0 123.8
47 4 0 -1 18.344 36.688 0.204 17.48 2 56.2 43.4
48 2 2 0 18.396 36.793 0.205 17.37 4 172.2 810.2
49 2 2 -1 18.523 37.046 0.206 17.11 4 26.2 18.5
50 0 2 2 18.681 37.361 0.208 16.79 4 268.0 1898.6
51 1 2 -2 18.735 37.471 0.208 16.68 4 81.7 175.1
52 4 0 0 18.778 37.555 0.209 16.6 2 14.9 2.9
53 3 0 2 18.895 37.789 0.21 16.37 2 70.0 63.1
54 2 0 3 19.241 38.483 0.214 15.73 2 29.1 10.5
55 4 0 -2 19.272 38.544 0.214 15.67 2 313.1 1209.0
56 1 0 -4 19.394 38.788 0.216 15.46 2 241.7 710.3
57 2 2 1 19.617 39.234 0.218 15.07 4 70.8 119.0
58 1 2 2 19.819 39.639 0.22 14.73 4 167.7 652.0
59 3 1 -3 19.84 39.681 0.22 14.7 4 84.1 163.5
60 0 0 4 19.875 39.75 0.221 14.64 2 181.1 377.8
61 2 2 -2 19.975 39.951 0.222 14.48 4 1.8 0.1
62 4 1 -1 20.044 40.088 0.222 14.36 4 43.0 41.7
63 2 0 -4 20.082 40.165 0.223 14.3 2 184.9 384.8
64 4 1 0 20.447 40.894 0.227 13.74 4 181.7 713.8
65 4 0 1 20.499 40.998 0.227 13.66 2 80.7 70.0
66 3 1 2 20.556 41.112 0.228 13.58 4 157.7 531.4
67 2 1 3 20.88 41.759 0.231 13.11 4 165.2 563.2
68 4 1 -2 20.908 41.816 0.232 13.07 4 97.4 195.3
69 1 1 -4 21.022 42.044 0.233 12.92 4 78.3 124.8
70 3 2 -1 21.165 42.33 0.234 12.72 4 27.1 14.7
71 3 2 0 21.302 42.604 0.236 12.54 4 225.0 998.8
72 4 0 -3 21.411 42.821 0.237 12.4 2 22.1 4.8
73 1 0 4 21.46 42.919 0.237 12.33 2 198.6 382.7
74 0 1 4 21.473 42.946 0.238 12.32 4 132.9 342.3
75 2 1 -4 21.668 43.335 0.24 12.07 4 96.0 174.9
76 1 2 -3 21.669 43.338 0.24 12.07 4 0.3 0.0
77 3 0 -4 21.848 43.696 0.242 11.85 2 183.1 312.4
78 0 2 3 21.866 43.731 0.242 11.82 4 114.6 244.4
79 2 2 2 21.996 43.992 0.243 11.67 4 86.3 136.6
80 4 1 1 22.06 44.119 0.244 11.59 4 49.4 44.6
81 3 2 -2 22.235 44.469 0.246 11.39 4 254.2 1157.8
82 2 2 -3 22.539 45.077 0.249 11.04 4 71.0 87.7
83 3 2 1 22.629 45.258 0.25 10.94 4 14.3 3.5
84 3 0 3 22.772 45.545 0.251 10.79 2 126.0 134.7
85 4 1 -3 22.921 45.843 0.253 10.63 4 106.7 190.6
86 1 1 4 22.968 45.936 0.253 10.58 4 47.1 37.0
87 1 2 3 23.108 46.215 0.255 10.44 4 67.2 74.1
88 5 0 -1 23.137 46.273 0.255 10.41 2 12.6 1.3
89 4 0 2 23.271 46.542 0.256 10.27 2 13.9 1.6
90 3 1 -4 23.336 46.673 0.257 10.21 4 128.2 263.9
91 5 0 -2 23.681 47.363 0.261 9.87 2 133.9 139.3
92 5 0 0 23.726 47.453 0.261 9.83 2 101.6 79.9
93 2 0 4 23.971 47.942 0.264 9.61 2 142.9 154.3
94 3 1 3 24.216 48.432 0.266 9.39 4 101.7 152.8
95 3 2 -3 24.385 48.771 0.268 9.24 4 36.0 18.9
96 4 0 -4 24.505 49.01 0.269 9.14 2 157.6 178.5
97 1 3 0 24.524 49.048 0.269 9.12 4 158.0 358.1
98 1 0 -5 24.527 49.054 0.269 9.12 2 75.1 40.5
99 4 2 -1 24.559 49.117 0.27 9.09 4 1.4 0.0
100 5 1 -1 24.564 49.128 0.27 9.09 4 28.2 11.4
101 0 3 1 24.581 49.161 0.27 9.07 4 16.9 4.1
102 4 1 2 24.693 49.385 0.271 8.98 4 238.4 802.9
103 1 3 -1 24.847 49.693 0.273 8.85 4 8.8 1.1
104 2 0 -5 24.881 49.762 0.273 8.83 2 111.2 85.8
105 4 2 0 24.903 49.806 0.273 8.81 4 238.2 786.6
106 3 2 2 24.996 49.993 0.274 8.73 4 204.8 576.7
107 5 1 -2 25.085 50.17 0.275 8.66 4 279.7 1066.7
108 5 1 0 25.128 50.257 0.276 8.63 4 105.2 150.2
109 0 0 5 25.148 50.296 0.276 8.61 2 206.2 288.3
110 2 2 3 25.275 50.55 0.277 8.52 4 7.2 0.7
111 1 3 1 25.287 50.574 0.277 8.51 4 3.3 0.1
112 4 2 -2 25.299 50.599 0.277 8.5 4 65.8 57.8
113 5 0 -3 25.305 50.61 0.277 8.49 2 8.5 0.5
114 2 1 4 25.363 50.726 0.278 8.45 4 83.2 92.0
115 5 0 1 25.391 50.782 0.278 8.43 2 121.6 98.1
116 1 2 -4 25.398 50.796 0.278 8.42 4 330.1 1444.1
117 0 2 4 25.789 51.577 0.282 8.13 4 46.7 27.9
118 4 1 -4 25.875 51.751 0.283 8.07 4 20.8 5.5
119 1 1 -5 25.897 51.794 0.284 8.06 4 122.1 189.2
120 2 2 -4 25.958 51.916 0.284 8.01 4 64.7 52.7
121 2 3 0 25.967 51.934 0.284 8.01 4 104.2 136.8
122 2 3 -1 26.063 52.127 0.285 7.94 4 5.2 0.3
123 3 0 -5 26.181 52.362 0.286 7.86 2 169.9 178.5
124 0 3 2 26.184 52.368 0.286 7.86 4 161.0 320.3
125 1 3 -2 26.226 52.452 0.287 7.83 4 81.2 81.2
126 2 1 -5 26.237 52.475 0.287 7.82 4 133.6 219.7
127 4 2 1 26.301 52.602 0.288 7.78 4 143.1 250.8
128 0 1 5 26.494 52.989 0.29 7.65 4 39.4 18.7
129 5 1 -3 26.646 53.291 0.291 7.55 4 25.7 7.9
130 1 0 5 26.694 53.388 0.292 7.52 2 75.9 34.1
131 5 1 1 26.728 53.457 0.292 7.5 4 126.1 187.6
132 4 0 3 26.85 53.701 0.293 7.42 2 142.8 119.0
133 2 3 1 26.91 53.819 0.294 7.38 4 37.1 16.0
134 4 2 -3 27.06 54.12 0.295 7.29 4 7.8 0.7
135 1 3 2 27.068 54.137 0.295 7.28 4 236.4 640.6
136 1 2 4 27.101 54.202 0.296 7.26 4 3.5 0.1
137 2 3 -2 27.192 54.383 0.297 7.21 4 262.9 784.5
138 3 0 4 27.221 54.441 0.297 7.19 2 111.5 70.4
139 3 2 -4 27.428 54.856 0.299 7.07 4 37.0 15.2
140 3 1 -5 27.491 54.982 0.3 7.03 4 11.8 1.6
141 5 0 -4 27.87 55.741 0.303 6.82 2 195.9 205.8
142 1 1 5 27.988 55.976 0.305 6.75 4 175.4 326.9
143 5 0 2 27.991 55.982 0.305 6.75 2 195.0 202.0
144 4 1 3 28.139 56.279 0.306 6.67 4 61.1 39.2
145 3 3 -1 28.143 56.286 0.306 6.67 4 16.2 2.7
146 6 0 -1 28.157 56.314 0.306 6.66 2 0.7 0.0
147 3 2 3 28.215 56.429 0.307 6.63 4 162.4 275.2
148 3 3 0 28.254 56.509 0.307 6.61 4 62.5 40.6
149 4 0 -5 28.334 56.668 0.308 6.57 2 68.5 24.3
150 6 0 -2 28.431 56.861 0.309 6.52 2 115.7 68.7
151 3 1 4 28.498 56.997 0.31 6.48 4 116.5 138.5
152 5 2 -1 28.527 57.055 0.31 6.47 4 29.3 8.7
153 1 3 -3 28.553 57.106 0.31 6.45 4 114.3 132.6
154 4 2 2 28.644 57.287 0.311 6.41 4 193.7 378.2
155 0 3 3 28.714 57.428 0.312 6.37 4 83.6 70.1
156 2 3 2 28.821 57.642 0.313 6.32 4 78.5 61.2
157 6 0 0 28.871 57.743 0.313 6.29 2 276.5 378.5
158 5 2 -2 28.998 57.997 0.315 6.23 4 11.5 1.3
159 3 3 -2 29.018 58.036 0.315 6.22 4 160.7 252.8
160 5 2 0 29.037 58.075 0.315 6.21 4 218.8 468.0
161 2 0 5 29.063 58.125 0.315 6.2 2 59.0 17.0
162 5 1 -4 29.129 58.258 0.316 6.17 4 134.4 175.3
163 5 1 2 29.246 58.492 0.317 6.11 4 40.3 15.6
164 2 2 4 29.25 58.501 0.317 6.11 4 229.6 507.0
165 2 3 -3 29.27 58.539 0.317 6.1 4 16.8 2.7
166 3 3 1 29.345 58.689 0.318 6.07 4 25.8 6.4
167 6 1 -1 29.408 58.815 0.319 6.04 4 20.0 3.8
168 4 1 -5 29.58 59.16 0.32 5.96 4 86.0 69.4
169 6 1 -2 29.674 59.348 0.321 5.92 4 109.4 111.5
170 6 0 -3 29.675 59.349 0.321 5.92 2 23.8 2.6
171 4 2 -4 29.717 59.433 0.322 5.9 4 337.6 1058.0
172 1 2 -5 29.736 59.472 0.322 5.89 4 77.6 55.8
173 1 3 3 29.744 59.488 0.322 5.89 4 54.3 27.3
174 1 0 -6 29.923 59.847 0.324 5.81 2 61.6 17.4
175 2 0 -6 30.039 60.077 0.325 5.76 2 6.3 0.2
176 2 2 -5 30.047 60.094 0.325 5.75 4 102.6 95.3
177 6 1 0 30.103 60.207 0.326 5.73 4 93.9 79.4
178 0 2 5 30.283 60.565 0.327 5.65 4 153.5 209.7
179 2 1 5 30.29 60.579 0.327 5.65 4 116.8 121.4
180 5 2 -3 30.421 60.843 0.329 5.6 4 40.8 14.7
181 5 2 1 30.497 60.995 0.329 5.57 4 58.4 29.9
182 6 0 1 30.53 61.059 0.33 5.55 2 26.9 3.2
183 0 0 6 30.661 61.321 0.331 5.5 2 159.3 109.8
184 3 3 -3 30.825 61.651 0.333 5.43 4 75.2 48.4
185 6 1 -3 30.887 61.774 0.333 5.41 4 25.4 5.5
186 4 3 -1 30.974 61.948 0.334 5.38 4 31.3 8.3
187 3 0 -6 31.001 62.002 0.334 5.37 2 102.6 44.5
188 4 0 4 31.071 62.141 0.335 5.34 2 201.6 170.8
189 1 1 -6 31.13 62.259 0.336 5.32 4 119.1 118.7
190 3 2 -5 31.2 62.401 0.336 5.29 4 159.6 212.3
191 5 0 -5 31.229 62.459 0.337 5.28 2 95.8 38.2
192 2 1 -6 31.242 62.485 0.337 5.28 4 44.5 16.4
193 4 3 0 31.269 62.539 0.337 5.27 4 165.3 226.3
194 3 3 2 31.35 62.7 0.338 5.24 4 118.7 116.1
195 5 0 3 31.379 62.758 0.338 5.23 2 89.7 33.1
196 2 3 3 31.59 63.181 0.34 5.15 4 151.1 185.1
197 4 3 -2 31.612 63.223 0.34 5.14 4 79.0 50.5
198 1 2 5 31.66 63.32 0.341 5.12 4 121.4 118.8
199 1 3 -4 31.697 63.394 0.341 5.11 4 48.9 19.2
200 6 1 1 31.722 63.445 0.341 5.1 4 65.4 34.4
201 4 2 3 31.801 63.601 0.342 5.07 4 54.9 24.1
202 6 0 -4 31.819 63.638 0.342 5.07 2 166.1 110.0
203 0 1 6 31.851 63.701 0.343 5.06 4 151.3 182.3
204 0 3 4 32.036 64.073 0.344 4.99 4 125.4 123.7
205 3 2 4 32.134 64.269 0.345 4.96 4 10.7 0.9
206 3 0 5 32.145 64.289 0.345 4.96 2 195.6 149.3
207 3 1 -6 32.184 64.368 0.346 4.94 4 198.4 306.3
208 2 3 -4 32.184 64.369 0.346 4.94 4 97.4 73.9
209 1 0 6 32.216 64.432 0.346 4.93 2 61.0 14.4
210 4 1 4 32.252 64.504 0.346 4.92 4 29.6 6.8
211 5 1 -5 32.408 64.815 0.348 4.87 4 58.3 26.1
212 4 3 1 32.484 64.968 0.349 4.85 4 33.6 8.6
213 5 1 3 32.554 65.109 0.349 4.82 4 141.8 152.6
214 5 2 -4 32.723 65.446 0.351 4.77 4 87.5 57.4
215 4 0 -6 32.767 65.535 0.351 4.76 2 128.5 61.8
216 5 2 2 32.832 65.665 0.352 4.74 4 50.1 18.7
217 0 4 0 32.883 65.766 0.352 4.72 2 408.2 619.0
218 6 2 -1 32.984 65.967 0.353 4.69 4 43.5 13.9
219 6 1 -4 32.986 65.971 0.353 4.69 4 133.6 131.7
220 6 0 2 33.048 66.097 0.354 4.67 2 15.0 0.8
221 4 2 -5 33.145 66.291 0.355 4.64 4 51.5 19.4
222 4 3 -3 33.153 66.305 0.355 4.64 4 86.9 55.1
223 1 3 4 33.189 66.378 0.355 4.63 4 58.0 24.5
224 6 2 -2 33.233 66.467 0.356 4.61 4 206.6 310.0
225 1 4 0 33.289 66.578 0.356 4.6 4 42.4 13.0
226 3 1 5 33.305 66.61 0.356 4.59 4 86.2 53.8
227 0 4 1 33.336 66.671 0.357 4.58 4 15.5 1.7
228 1 1 6 33.375 66.751 0.357 4.57 4 42.0 12.7
229 7 0 -1 33.456 66.911 0.358 4.55 2 114.5 46.9
230 3 3 -4 33.479 66.959 0.358 4.54 4 101.2 73.2
231 7 0 -2 33.52 67.04 0.358 4.53 2 197.6 139.2
232 1 4 -1 33.555 67.111 0.359 4.52 4 31.3 7.0
233 6 2 0 33.637 67.273 0.36 4.5 4 176.1 219.4
234 2 2 5 33.812 67.624 0.361 4.45 4 86.7 52.6
235 4 1 -6 33.917 67.834 0.362 4.42 4 132.0 121.2
236 1 4 1 33.921 67.842 0.362 4.42 4 60.3 25.3
237 3 3 3 34.181 68.362 0.365 4.35 4 92.0 58.0
238 6 1 2 34.193 68.386 0.365 4.35 4 108.2 80.1
239 7 0 0 34.286 68.571 0.366 4.32 2 32.4 3.6
240 6 2 -3 34.376 68.751 0.367 4.3 4 18.4 2.3
241 5 3 -1 34.462 68.924 0.367 4.28 4 15.7 1.7
242 7 0 -3 34.477 68.954 0.367 4.27 2 60.1 12.2
243 2 4 0 34.491 68.983 0.368 4.27 4 58.1 22.7
244 2 0 6 34.531 69.062 0.368 4.26 2 69.6 16.3
245 4 3 2 34.567 69.133 0.368 4.25 4 207.1 286.9
246 2 4 -1 34.573 69.146 0.368 4.25 4 36.5 8.9
247 7 1 -1 34.594 69.187 0.369 4.24 4 31.4 6.6
248 1 2 -6 34.605 69.211 0.369 4.24 4 38.9 10.1
249 7 1 -2 34.657 69.315 0.369 4.23 4 99.1 65.3
250 0 4 2 34.675 69.349 0.369 4.22 4 21.1 3.0
251 1 4 -2 34.71 69.421 0.37 4.22 4 191.6 243.6
252 2 2 -6 34.712 69.424 0.37 4.21 4 116.8 90.6
253 6 0 -5 34.775 69.55 0.37 4.2 2 119.4 47.1
254 5 3 -2 34.887 69.773 0.371 4.17 4 258.9 440.1
255 5 3 0 34.922 69.844 0.372 4.16 4 79.3 41.2
256 2 3 4 35.115 70.229 0.373 4.12 4 77.8 39.2
257 6 2 1 35.168 70.335 0.374 4.11 4 18.4 2.2
258 5 0 -6 35.276 70.552 0.375 4.08 2 48.9 7.7
259 0 2 6 35.289 70.578 0.375 4.08 4 18.8 2.3
260 2 4 1 35.292 70.585 0.375 4.08 4 73.0 34.1
261 7 1 0 35.411 70.823 0.376 4.05 4 150.0 143.4
262 1 4 2 35.429 70.857 0.376 4.04 4 23.2 3.4
263 5 0 4 35.452 70.905 0.377 4.04 2 41.4 5.4
264 2 4 -2 35.534 71.068 0.377 4.02 4 82.8 43.4
265 4 3 -4 35.538 71.076 0.377 4.02 4 3.4 0.1
266 1 3 -5 35.556 71.112 0.377 4.02 4 104.1 68.5
267 2 0 -7 35.584 71.167 0.378 4.01 2 45.3 6.5
268 7 1 -3 35.6 71.2 0.378 4.01 4 42.7 11.5
269 3 2 -6 35.606 71.213 0.378 4.0 4 92.3 53.7
270 2 1 6 35.653 71.306 0.378 3.99 4 72.9 33.4
271 1 0 -7 35.656 71.313 0.378 3.99 2 184.5 106.9
272 4 2 4 35.671 71.343 0.379 3.99 4 16.5 1.7
273 5 2 -5 35.82 71.639 0.38 3.96 4 66.3 27.4
274 2 3 -5 35.839 71.679 0.38 3.95 4 123.9 95.5
275 4 0 5 35.859 71.718 0.38 3.95 2 25.3 2.0
276 6 1 -5 35.894 71.788 0.381 3.94 4 35.6 7.9
277 5 2 3 35.96 71.919 0.381 3.93 4 18.3 2.1
278 7 0 1 35.982 71.963 0.381 3.92 2 63.0 12.2
279 0 3 5 36.055 72.109 0.382 3.91 4 43.0 11.4
280 5 3 -3 36.182 72.364 0.383 3.88 4 17.0 1.8
281 5 3 1 36.252 72.503 0.384 3.87 4 103.1 64.7
282 3 0 -7 36.292 72.584 0.384 3.86 2 108.2 35.6
283 7 0 -4 36.294 72.588 0.384 3.86 2 135.4 55.7
284 6 0 3 36.344 72.687 0.385 3.85 2 145.4 64.0
285 3 4 -1 36.358 72.715 0.385 3.85 4 8.6 0.4
286 6 2 -4 36.372 72.743 0.385 3.84 4 45.6 12.6
287 5 1 -6 36.388 72.777 0.385 3.84 4 21.4 2.8
288 3 4 0 36.455 72.909 0.386 3.83 4 326.5 641.7
289 0 0 7 36.509 73.017 0.386 3.81 2 74.3 16.6
290 5 1 4 36.562 73.124 0.387 3.8 4 81.8 40.1
291 3 2 5 36.677 73.355 0.388 3.78 4 142.6 121.0
292 2 1 -7 36.692 73.384 0.388 3.78 4 194.4 224.7
293 1 4 -3 36.716 73.431 0.388 3.77 4 7.4 0.3
294 1 2 6 36.745 73.489 0.388 3.77 4 116.9 81.1
295 1 1 -7 36.764 73.528 0.389 3.76 4 88.7 46.6
296 0 4 3 36.857 73.714 0.389 3.75 4 68.9 28.0
297 3 3 -5 36.898 73.796 0.39 3.74 4 14.0 1.1
298 2 4 2 36.951 73.902 0.39 3.73 4 167.3 164.2
299 4 1 5 36.964 73.928 0.39 3.73 4 220.9 286.2
300 7 1 1 37.085 74.17 0.391 3.7 4 45.7 12.2
301 3 4 -2 37.124 74.248 0.392 3.7 4 49.7 14.4
302 4 2 -6 37.264 74.529 0.393 3.67 4 33.0 6.3
303 1 3 5 37.323 74.646 0.394 3.66 4 156.2 140.5
304 2 4 -3 37.346 74.693 0.394 3.66 4 48.8 13.7
305 3 1 -7 37.392 74.784 0.394 3.65 4 84.4 40.9
306 7 1 -4 37.394 74.788 0.394 3.65 4 42.6 10.4
307 3 4 1 37.413 74.826 0.394 3.64 4 30.2 5.2
308 6 1 3 37.443 74.886 0.395 3.64 4 60.6 21.0
309 4 3 3 37.454 74.907 0.395 3.64 4 60.8 21.2
310 6 2 2 37.53 75.06 0.395 3.62 4 91.6 47.8
311 3 0 6 37.547 75.095 0.396 3.62 2 115.8 38.2
312 0 1 7 37.606 75.212 0.396 3.61 4 106.7 64.7
313 3 3 4 37.764 75.527 0.398 3.58 4 117.0 77.3
314 4 0 -7 37.764 75.528 0.398 3.58 2 137.3 53.2
315 1 4 3 37.767 75.535 0.398 3.58 4 81.6 37.5
316 7 2 -1 37.916 75.832 0.399 3.56 4 35.1 6.9
317 7 2 -2 37.977 75.954 0.399 3.55 4 27.8 4.3
318 1 0 7 38.12 76.239 0.401 3.52 2 56.7 8.9
319 5 3 -4 38.313 76.625 0.402 3.49 4 112.4 69.5
320 5 3 2 38.415 76.83 0.403 3.48 4 53.5 15.7
321 6 0 -6 38.474 76.948 0.404 3.47 2 45.0 5.5
322 7 0 2 38.498 76.996 0.404 3.46 2 37.0 3.7
323 6 3 -1 38.557 77.113 0.405 3.46 4 16.6 1.5
324 3 1 6 38.634 77.269 0.405 3.44 4 95.2 49.1
325 7 2 0 38.705 77.411 0.406 3.43 4 169.2 154.6
326 4 3 -5 38.708 77.416 0.406 3.43 4 81.6 36.0
327 3 4 -3 38.736 77.472 0.406 3.43 4 48.5 12.7
328 6 3 -2 38.791 77.581 0.407 3.42 4 111.4 66.8
329 4 1 -7 38.849 77.698 0.407 3.41 4 100.4 54.1
330 4 4 -1 38.87 77.74 0.407 3.41 4 35.6 6.8
331 7 2 -3 38.888 77.777 0.408 3.41 4 4.6 0.1
332 7 0 -5 38.925 77.849 0.408 3.4 2 75.3 15.2
333 2 2 6 38.94 77.88 0.408 3.4 4 35.2 6.6
334 8 0 -2 39.009 78.019 0.409 3.39 2 157.4 66.1
335 8 0 -1 39.121 78.242 0.41 3.37 2 18.7 0.9
336 4 4 0 39.137 78.275 0.41 3.37 4 22.8 2.7
337 6 3 0 39.17 78.34 0.41 3.37 4 90.5 43.4
338 6 2 -5 39.173 78.346 0.41 3.36 4 145.9 112.7
339 1 1 7 39.202 78.403 0.41 3.36 4 195.7 202.5
340 3 4 2 39.21 78.42 0.41 3.36 4 39.7 8.3
341 2 3 5 39.335 78.671 0.411 3.34 4 96.8 49.3
342 2 4 3 39.429 78.857 0.412 3.33 4 29.4 4.5
343 4 4 -2 39.448 78.896 0.412 3.33 4 220.1 253.7
344 1 4 -4 39.526 79.051 0.413 3.32 4 164.7 141.5
345 6 1 -6 39.553 79.106 0.413 3.31 4 200.3 209.2
346 7 1 2 39.577 79.154 0.414 3.31 4 153.7 123.0
347 5 2 -6 39.653 79.306 0.414 3.3 4 135.3 95.1
348 8 0 -3 39.742 79.484 0.415 3.29 2 27.3 1.9
349 5 2 4 39.822 79.644 0.416 3.28 4 172.8 154.1
350 0 4 4 39.835 79.671 0.416 3.28 4 131.1 88.6
351 6 3 -3 39.868 79.736 0.416 3.27 4 20.6 2.2
352 2 2 -7 39.948 79.897 0.417 3.26 4 53.7 14.8
353 2 4 -4 39.971 79.942 0.417 3.26 4 165.0 139.5
354 5 0 -7 39.972 79.944 0.417 3.26 2 27.0 1.9
355 7 1 -5 40.0 80.001 0.417 3.25 4 74.4 28.4
356 1 2 -7 40.018 80.037 0.417 3.25 4 164.6 138.6
357 8 0 0 40.075 80.151 0.418 3.25 2 42.6 4.6
358 8 1 -2 40.085 80.169 0.418 3.24 4 218.8 244.5
359 1 3 -6 40.086 80.171 0.418 3.24 4 115.0 67.6
360 5 0 5 40.175 80.349 0.419 3.23 2 31.7 2.6
361 2 3 -6 40.187 80.374 0.419 3.23 4 27.6 3.9
362 8 1 -1 40.195 80.391 0.419 3.23 4 6.7 0.2
363 4 2 5 40.214 80.427 0.419 3.23 4 104.4 55.4
364 4 4 1 40.246 80.491 0.419 3.22 4 63.3 20.3
365 7 2 1 40.331 80.663 0.42 3.21 4 135.0 92.3
366 6 0 4 40.365 80.73 0.42 3.21 2 86.5 18.9
367 2 0 7 40.462 80.924 0.421 3.2 2 224.0 126.3
368 6 3 1 40.62 81.241 0.423 3.18 4 65.1 21.2
369 3 2 -7 40.631 81.261 0.423 3.18 4 117.7 69.3
370 7 2 -4 40.633 81.265 0.423 3.18 4 295.2 436.1
371 6 2 3 40.681 81.361 0.423 3.17 4 185.9 172.6
372 0 3 6 40.736 81.473 0.424 3.17 4 124.2 76.8
373 8 1 -3 40.812 81.624 0.424 3.16 4 7.5 0.3
374 0 2 7 40.84 81.68 0.424 3.16 4 113.2 63.7
375 4 4 -3 40.862 81.724 0.425 3.15 4 17.7 1.5
376 1 4 4 40.896 81.792 0.425 3.15 4 160.0 127.0
377 3 3 -6 41.039 82.078 0.426 3.13 4 182.1 163.5
378 5 1 -7 41.041 82.082 0.426 3.13 4 178.7 157.4
379 4 3 4 41.101 82.202 0.427 3.13 4 23.2 2.7
380 8 1 0 41.143 82.287 0.427 3.12 4 83.1 33.9
381 3 4 -4 41.165 82.33 0.427 3.12 4 137.7 93.1
382 4 0 6 41.231 82.462 0.428 3.11 2 60.9 9.1
383 5 1 5 41.242 82.484 0.428 3.11 4 118.1 68.3
384 5 3 -5 41.243 82.486 0.428 3.11 4 60.3 17.8
385 8 0 -4 41.307 82.615 0.428 3.11 2 205.7 103.4
386 5 3 3 41.377 82.754 0.429 3.1 4 133.3 86.6
387 6 1 4 41.432 82.863 0.43 3.09 4 69.7 23.6
388 2 1 7 41.528 83.056 0.43 3.08 4 83.7 34.0
389 2 0 -8 41.615 83.23 0.431 3.07 2 160.2 62.1
390 6 3 -4 41.772 83.545 0.432 3.06 4 106.6 54.7
391 7 0 3 41.798 83.597 0.433 3.06 2 148.2 52.8
392 3 4 3 41.819 83.638 0.433 3.06 4 96.6 44.8
393 3 2 6 41.847 83.694 0.433 3.05 4 17.8 1.5
394 1 0 -8 41.854 83.709 0.433 3.05 2 47.8 5.5
395 8 0 1 41.858 83.716 0.433 3.05 2 106.5 27.3
396 4 2 -7 42.058 84.115 0.435 3.03 4 133.1 84.6
397 3 3 5 42.067 84.134 0.435 3.03 4 78.5 29.4
398 5 4 -1 42.082 84.164 0.435 3.03 4 8.1 0.3
399 3 0 -8 42.122 84.244 0.435 3.03 2 21.7 1.1
400 1 3 6 42.132 84.263 0.435 3.03 4 27.5 3.6
401 4 4 2 42.18 84.36 0.436 3.02 4 0.5 0.0
402 4 1 6 42.293 84.587 0.437 3.01 4 17.3 1.4
403 7 0 -6 42.337 84.674 0.437 3.01 2 172.3 70.3
404 8 1 -4 42.369 84.739 0.437 3.01 4 132.2 82.7
405 1 2 7 42.404 84.808 0.438 3.0 4 112.2 59.5
406 5 4 -2 42.481 84.962 0.438 3.0 4 107.8 54.8
407 5 4 0 42.514 85.029 0.439 2.99 4 72.0 24.5
408 4 3 -6 42.633 85.266 0.44 2.98 4 132.7 82.7
409 2 1 -8 42.676 85.351 0.44 2.98 4 29.6 4.1
410 2 4 4 42.696 85.392 0.44 2.98 4 104.2 50.9
411 6 2 -6 42.75 85.5 0.441 2.97 4 75.5 26.7
412 7 2 2 42.774 85.547 0.441 2.97 4 148.8 103.6
413 0 0 8 42.838 85.677 0.441 2.97 2 51.6 6.2
414 7 1 3 42.859 85.717 0.442 2.97 4 72.6 24.6
415 6 3 2 42.89 85.781 0.442 2.96 4 95.8 42.8
416 6 0 -7 42.896 85.791 0.442 2.96 2 121.8 34.6
417 1 1 -8 42.914 85.829 0.442 2.96 4 3.2 0.0
418 8 1 1 42.918 85.836 0.442 2.96 4 139.8 91.0
419 4 4 -4 43.097 86.194 0.443 2.95 4 133.3 82.4
420 1 5 0 43.111 86.222 0.444 2.95 4 101.5 47.7
421 1 4 -5 43.114 86.227 0.444 2.95 4 55.6 14.3
422 0 5 1 43.154 86.308 0.444 2.94 4 22.5 2.3
423 3 1 -8 43.181 86.363 0.444 2.94 4 20.5 2.0
424 7 2 -5 43.191 86.382 0.444 2.94 4 25.5 3.0
425 7 3 -1 43.265 86.529 0.445 2.93 4 23.2 2.5
426 8 2 -2 43.274 86.549 0.445 2.93 4 8.5 0.3
427 7 3 -2 43.324 86.648 0.445 2.93 4 99.9 46.0
428 1 5 -1 43.357 86.713 0.446 2.93 4 8.7 0.3
429 4 0 -8 43.372 86.745 0.446 2.93 2 72.7 12.2
430 2 4 -5 43.383 86.766 0.446 2.93 4 90.0 37.3
431 8 2 -1 43.384 86.768 0.446 2.93 4 95.8 42.3
432 7 1 -6 43.395 86.791 0.446 2.92 4 121.7 68.2
433 3 0 7 43.518 87.035 0.447 2.92 2 62.7 9.0
434 0 4 5 43.588 87.175 0.448 2.91 4 166.1 126.4
435 8 0 -5 43.691 87.382 0.448 2.9 2 60.1 8.3
436 1 5 1 43.695 87.39 0.448 2.9 4 0.9 0.0
437 5 4 -3 43.709 87.418 0.449 2.9 4 11.8 0.6
438 5 4 1 43.775 87.551 0.449 2.9 4 91.4 38.1
439 0 1 8 43.896 87.792 0.45 2.89 4 13.3 0.8
440 6 1 -7 43.953 87.905 0.451 2.89 4 71.1 23.0
441 8 2 -3 43.993 87.987 0.451 2.88 4 37.6 6.4
442 7 3 0 44.034 88.067 0.451 2.88 4 127.4 73.6
443 7 3 -3 44.212 88.425 0.453 2.87 4 32.0 4.6
444 5 2 -7 44.22 88.44 0.453 2.87 4 7.9 0.3
445 2 5 0 44.226 88.451 0.453 2.87 4 84.5 32.2
446 2 3 6 44.263 88.525 0.453 2.87 4 58.8 15.6
447 2 5 -1 44.302 88.603 0.453 2.87 4 6.9 0.2
448 8 2 0 44.322 88.644 0.454 2.86 4 181.8 149.0
449 3 4 -5 44.395 88.789 0.454 2.86 4 133.8 80.6
450 0 5 2 44.397 88.794 0.454 2.86 4 136.1 83.4
451 5 2 5 44.42 88.839 0.454 2.86 4 106.7 51.2
452 4 1 -8 44.429 88.858 0.454 2.86 4 21.4 2.1
453 1 5 -2 44.43 88.86 0.454 2.86 4 94.0 39.7
454 8 0 2 44.457 88.914 0.455 2.86 2 197.0 87.2
455 6 3 -5 44.491 88.982 0.455 2.86 4 32.6 4.8
456 1 0 8 44.563 89.125 0.455 2.85 2 117.7 31.1
457 3 1 7 44.574 89.148 0.456 2.85 4 94.6 40.2
458 6 2 4 44.607 89.215 0.456 2.85 4 9.0 0.4
459 2 2 7 44.703 89.406 0.457 2.84 4 176.0 138.6
460 8 1 -5 44.747 89.494 0.457 2.84 4 32.0 4.6
461 1 4 5 44.804 89.607 0.457 2.84 4 66.8 20.0
462 4 4 3 44.93 89.859 0.458 2.83 4 113.4 57.3
463 5 3 -6 44.962 89.924 0.459 2.83 4 25.0 2.8
464 2 5 1 44.977 89.955 0.459 2.83 4 42.4 8.0
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 0 4.616 9.232 9.57176 933.3 18.3 18.5 5.6
2 0 0 1 4.876 9.751 9.063 101.3 2.0 2.0 5.6
3 1 0 -1 5.952 11.904 7.42846 184.3 3.6 3.6 5.6
4 1 0 1 7.413 14.826 5.97006 562.3 11.0 11.1 5.6
5 1 1 0 9.079 18.158 4.88152 2840.9 55.6 56.0 5.6
6 0 1 1 9.215 18.431 4.80985 152.4 3.0 3.0 5.6
7 2 0 0 9.262 18.524 4.78588 582.7 11.4 11.5 5.6
8 2 0 -1 9.499 18.997 4.66767 107.3 2.1 2.1 5.6
9 1 0 -2 9.886 19.772 4.4866 2980.0 58.3 58.6 5.6
10 2 0 1 11.393 22.787 3.89932 365.5 7.1 7.2 5.6
11 2 0 -2 11.969 23.938 3.71423 404.0 7.9 7.9 5.6
12 2 1 0 12.154 24.308 3.65857 758.9 14.8 14.9 5.6
13 0 1 2 12.564 25.128 3.54109 2635.9 51.6 51.7 5.6
14 1 1 -2 12.642 25.284 3.51954 866.1 16.9 17.0 5.6
15 2 1 1 13.868 27.735 3.2138 148.9 2.9 2.9 5.6
16 3 0 0 13.971 27.941 3.19059 5112.4 100.0 100.0 5.6
17 1 1 2 14.141 28.282 3.15285 4638.9 90.7 90.7 5.6
18 2 1 -2 14.351 28.701 3.10778 5008.3 98.0 97.9 5.6
19 0 0 3 14.772 29.544 3.021 192.0 3.8 3.8 5.6
20 2 0 2 14.954 29.909 2.98503 702.2 13.7 13.7 5.6
21 2 0 -3 15.701 31.402 2.84641 86.6 1.7 1.7 5.6
22 0 2 0 15.751 31.503 2.8375 1567.9 30.7 30.6 5.6
23 3 1 0 16.079 32.158 2.78117 91.3 1.8 1.8 5.6
24 1 2 0 16.448 32.896 2.72048 1987.7 38.9 38.7 5.6
25 1 1 -3 16.543 33.085 2.70533 564.4 11.0 11.0 5.6
26 0 1 3 16.789 33.579 2.66669 240.9 4.7 4.7 5.7
27 2 1 2 16.952 33.904 2.64185 241.4 4.7 4.7 5.7
28 3 1 -2 17.248 34.496 2.59783 897.2 17.6 17.5 5.7
29 1 2 1 17.492 34.983 2.56276 232.5 4.5 4.5 5.7
30 3 0 -3 18.124 36.249 2.47615 51.3 1.0 1.0 5.7
31 1 1 3 18.316 36.631 2.45116 123.8 2.4 2.4 5.7
32 2 2 0 18.396 36.793 2.44076 810.2 15.8 15.7 5.7
33 0 2 2 18.681 37.361 2.40493 1898.6 37.1 36.8 5.7
34 1 2 -2 18.735 37.471 2.39814 175.1 3.4 3.4 5.7
35 3 0 2 18.895 37.789 2.37868 63.1 1.2 1.2 5.7
36 4 0 -2 19.272 38.544 2.33383 1209.0 23.6 23.4 5.7
37 1 0 -4 19.394 38.788 2.3197 710.3 13.9 13.8 5.7
38 2 2 1 19.617 39.234 2.29433 119.0 2.3 2.3 5.7
39 1 2 2 19.819 39.639 2.27184 815.5 16.0 15.8 5.7
40 0 0 4 19.875 39.75 2.26575 377.8 7.4 7.3 5.7
41 2 0 -4 20.082 40.165 2.2433 384.8 7.5 7.4 5.7
42 4 1 0 20.447 40.894 2.20494 713.8 14.0 13.8 5.7
43 4 0 1 20.499 40.998 2.19962 70.0 1.4 1.4 5.7
44 3 1 2 20.556 41.112 2.19376 531.4 10.4 10.3 5.7
45 2 1 3 20.88 41.759 2.16125 758.6 14.8 14.7 5.7
46 1 1 -4 21.022 42.044 2.14724 124.8 2.4 2.4 5.7
47 3 2 0 21.302 42.604 2.1203 998.8 19.5 19.3 5.7
48 1 0 4 21.46 42.919 2.10547 725.0 14.2 14.0 5.7
49 2 1 -4 21.668 43.335 2.08622 174.9 3.4 3.4 5.7
50 3 0 -4 21.848 43.696 2.06983 556.8 10.9 10.7 5.7
51 2 2 2 21.996 43.992 2.05659 136.6 2.7 2.6 5.7
52 3 2 -2 22.235 44.469 2.03562 1157.8 22.6 22.3 5.7
53 2 2 -3 22.539 45.077 2.00956 87.7 1.7 1.7 5.7
54 3 0 3 22.772 45.545 1.99002 134.7 2.6 2.6 5.7
55 4 1 -3 22.921 45.843 1.97778 190.6 3.7 3.7 5.7
56 1 2 3 23.108 46.215 1.9627 74.1 1.4 1.4 5.7
57 3 1 -4 23.336 46.673 1.94453 263.9 5.2 5.1 5.7
58 5 0 -2 23.681 47.363 1.91779 139.3 2.7 2.7 5.7
59 5 0 0 23.726 47.453 1.91435 79.9 1.6 1.5 5.7
60 2 0 4 23.971 47.942 1.89594 154.3 3.0 3.0 5.7
61 3 1 3 24.216 48.432 1.87791 152.8 3.0 2.9 5.7
62 1 3 0 24.524 49.048 1.85577 577.2 11.3 11.1 5.7
63 4 1 2 24.693 49.385 1.84388 802.9 15.7 15.4 5.7
64 4 2 0 24.903 49.806 1.82929 872.4 17.1 16.7 5.7
65 3 2 2 24.996 49.993 1.82289 576.7 11.3 11.0 5.7
66 5 1 -2 25.085 50.17 1.81685 1066.7 20.9 20.4 5.7
67 0 0 5 25.148 50.296 1.8126 438.5 8.6 8.4 5.8
68 4 2 -2 25.299 50.599 1.80247 58.3 1.1 1.1 5.8
69 1 2 -4 25.398 50.796 1.79594 1634.2 32.0 31.2 5.8
70 1 1 -5 25.897 51.794 1.76366 194.7 3.8 3.7 5.8
71 2 3 0 25.967 51.934 1.75923 189.5 3.7 3.6 5.8
72 0 3 2 26.184 52.368 1.74567 498.9 9.8 9.5 5.8
73 2 1 -5 26.237 52.475 1.74236 300.9 5.9 5.7 5.8
74 4 2 1 26.301 52.602 1.73845 250.8 4.9 4.8 5.8
75 5 1 1 26.728 53.457 1.71264 187.6 3.7 3.6 5.8
76 4 0 3 26.85 53.701 1.70543 119.0 2.3 2.3 5.8
77 1 3 2 27.068 54.137 1.69272 640.6 12.5 12.2 5.8
78 2 3 -2 27.192 54.383 1.68564 784.5 15.3 14.9 5.8
79 3 0 4 27.221 54.441 1.68397 70.4 1.4 1.3 5.8
80 5 0 -4 27.87 55.741 1.64775 205.8 4.0 3.9 5.8
81 1 1 5 27.988 55.976 1.6414 528.8 10.3 10.0 5.8
82 3 2 3 28.215 56.429 1.62927 275.2 5.4 5.2 5.8
83 6 0 -2 28.431 56.861 1.61792 68.7 1.3 1.3 5.8
84 3 1 4 28.498 56.997 1.6144 138.5 2.7 2.6 5.8
85 1 3 -3 28.553 57.106 1.61157 141.3 2.8 2.7 5.8
86 4 2 2 28.644 57.287 1.6069 378.2 7.4 7.2 5.8
87 0 3 3 28.714 57.428 1.60328 70.1 1.4 1.3 5.8
88 2 3 2 28.821 57.642 1.59784 61.2 1.2 1.2 5.8
89 6 0 0 28.871 57.743 1.59529 378.5 7.4 7.2 5.8
90 5 2 0 29.037 58.075 1.58696 739.0 14.5 14.0 5.8
91 5 1 -4 29.129 58.258 1.5824 175.3 3.4 3.3 5.8
92 2 2 4 29.25 58.501 1.57642 525.3 10.3 9.9 5.8
93 4 1 -5 29.58 59.16 1.5604 69.4 1.4 1.3 5.8
94 6 1 -2 29.674 59.348 1.55592 114.2 2.2 2.2 5.8
95 4 2 -4 29.717 59.433 1.55389 1141.1 22.3 21.6 5.8
96 2 2 -5 30.047 60.094 1.53837 95.3 1.9 1.8 5.8
97 6 1 0 30.103 60.207 1.53577 79.4 1.6 1.5 5.8
98 0 2 5 30.283 60.565 1.52753 331.1 6.5 6.2 5.8
99 0 0 6 30.661 61.321 1.5105 109.8 2.1 2.1 5.8
100 3 0 -6 31.001 62.002 1.49553 52.7 1.0 1.0 5.8
101 4 0 4 31.071 62.141 1.49251 170.8 3.3 3.2 5.8
102 1 1 -6 31.13 62.259 1.48997 118.7 2.3 2.2 5.8
103 3 2 -5 31.2 62.401 1.48694 250.4 4.9 4.7 5.8
104 4 3 0 31.269 62.539 1.48398 242.8 4.7 4.6 5.8
105 3 3 2 31.35 62.7 1.48056 116.1 2.3 2.2 5.8
106 2 3 3 31.59 63.181 1.47044 235.6 4.6 4.4 5.9
107 1 2 5 31.66 63.32 1.46754 118.8 2.3 2.2 5.9
108 6 1 1 31.722 63.445 1.46495 53.6 1.0 1.0 5.9
109 6 0 -4 31.819 63.638 1.46098 134.0 2.6 2.5 5.9
110 0 1 6 31.851 63.701 1.45968 182.3 3.6 3.4 5.9
111 0 3 4 32.036 64.073 1.4521 123.7 2.4 2.3 5.9
112 3 0 5 32.145 64.289 1.44773 149.3 2.9 2.8 5.9
113 3 1 -6 32.184 64.368 1.44616 380.2 7.4 7.1 5.9
114 5 1 3 32.554 65.109 1.43149 152.6 3.0 2.9 5.9
115 5 2 -4 32.723 65.446 1.42492 57.4 1.1 1.1 5.9
116 4 0 -6 32.767 65.535 1.42321 61.8 1.2 1.2 5.9
117 0 4 0 32.883 65.766 1.41875 619.0 12.1 11.6 5.9
118 6 1 -4 32.986 65.971 1.41484 145.6 2.8 2.7 5.9
119 4 3 -3 33.153 66.305 1.40852 74.5 1.5 1.4 5.9
120 6 2 -2 33.233 66.467 1.4055 310.0 6.1 5.8 5.9
121 3 1 5 33.305 66.61 1.40281 66.8 1.3 1.2 5.9
122 3 3 -4 33.479 66.959 1.39636 120.1 2.3 2.2 5.9
123 7 0 -2 33.52 67.04 1.39485 139.2 2.7 2.6 5.9
124 6 2 0 33.637 67.273 1.39059 219.4 4.3 4.1 5.9
125 2 2 5 33.812 67.624 1.38422 52.6 1.0 1.0 5.9
126 4 1 -6 33.917 67.834 1.38046 146.5 2.9 2.7 5.9
127 6 1 2 34.193 68.386 1.37064 138.1 2.7 2.6 5.9
128 4 3 2 34.567 69.133 1.35765 302.4 5.9 5.6 5.9
129 7 1 -2 34.657 69.315 1.35454 68.3 1.3 1.3 5.9
130 1 4 -2 34.71 69.421 1.35273 334.2 6.5 6.2 5.9
131 5 3 -2 34.887 69.773 1.34675 440.1 8.6 8.2 5.9
132 7 1 0 35.411 70.823 1.32935 146.8 2.9 2.7 5.9
133 1 3 -5 35.556 71.112 1.32465 111.9 2.2 2.1 5.9
134 3 2 -6 35.606 71.213 1.32302 71.7 1.4 1.3 5.9
135 1 0 -7 35.656 71.313 1.32141 142.0 2.8 2.6 5.9
136 2 3 -5 35.839 71.679 1.31556 124.9 2.4 2.3 5.9
137 5 3 1 36.252 72.503 1.30262 64.7 1.3 1.2 5.9
138 7 0 -4 36.294 72.588 1.30131 91.2 1.8 1.7 6.0
139 6 0 3 36.344 72.687 1.29977 77.0 1.5 1.4 6.0
140 3 4 0 36.455 72.909 1.29636 641.7 12.6 11.9 6.0
141 2 1 -7 36.692 73.384 1.28915 345.7 6.8 6.4 6.0
142 1 2 6 36.745 73.489 1.28756 127.7 2.5 2.4 6.0
143 4 1 5 36.964 73.928 1.28099 450.4 8.8 8.3 6.0
144 1 3 5 37.323 74.646 1.27044 154.2 3.0 2.8 6.0
145 3 1 -7 37.392 74.784 1.26845 56.6 1.1 1.0 6.0
146 6 2 2 37.53 75.06 1.26446 86.0 1.7 1.6 6.0
147 0 1 7 37.606 75.212 1.26228 64.7 1.3 1.2 6.0
148 3 3 4 37.764 75.527 1.25779 168.0 3.3 3.1 6.0
149 5 3 -4 38.313 76.625 1.24248 69.5 1.4 1.3 6.0
150 7 2 0 38.705 77.411 1.23182 190.6 3.7 3.5 6.0
151 6 3 -2 38.791 77.581 1.22954 66.8 1.3 1.2 6.0
152 4 1 -7 38.849 77.698 1.22799 60.9 1.2 1.1 6.0
153 8 0 -2 39.009 78.019 1.22374 66.1 1.3 1.2 6.0
154 1 1 7 39.202 78.403 1.2187 367.0 7.2 6.7 6.0
155 4 4 -2 39.448 78.896 1.21232 258.2 5.1 4.7 6.0
156 6 1 -6 39.553 79.106 1.20963 473.7 9.3 8.6 6.0
157 5 2 -6 39.653 79.306 1.20707 95.1 1.9 1.7 6.0
158 5 2 4 39.822 79.644 1.2028 242.7 4.7 4.4 6.0
159 2 4 -4 39.971 79.942 1.19907 156.2 3.1 2.8 6.0
160 1 2 -7 40.018 80.037 1.19788 167.0 3.3 3.0 6.0
161 1 3 -6 40.086 80.171 1.19621 316.7 6.2 5.8 6.0
162 4 2 5 40.214 80.427 1.19305 62.1 1.2 1.1 6.0
163 7 2 1 40.331 80.663 1.19016 92.3 1.8 1.7 6.1
164 2 0 7 40.462 80.924 1.18698 126.3 2.5 2.3 6.1
165 7 2 -4 40.633 81.265 1.18285 526.7 10.3 9.6 6.1
166 6 2 3 40.681 81.361 1.1817 172.6 3.4 3.1 6.1
167 0 3 6 40.736 81.473 1.18036 76.8 1.5 1.4 6.1
168 0 2 7 40.84 81.68 1.17789 65.2 1.3 1.2 6.1
169 1 4 4 40.896 81.792 1.17656 127.0 2.5 2.3 6.1
170 3 3 -6 41.039 82.078 1.17318 320.9 6.3 5.8 6.1
171 3 4 -4 41.165 82.33 1.17023 127.0 2.5 2.3 6.1
172 5 3 -5 41.243 82.486 1.16841 95.2 1.9 1.7 6.1
173 8 0 -4 41.307 82.615 1.16692 103.4 2.0 1.9 6.1
174 5 3 3 41.377 82.754 1.16531 86.6 1.7 1.6 6.1
175 2 0 -8 41.615 83.23 1.15985 62.1 1.2 1.1 6.1
176 6 3 -4 41.772 83.545 1.15628 107.5 2.1 1.9 6.1
177 4 2 -7 42.058 84.115 1.14988 114.3 2.2 2.1 6.1
178 7 0 -6 42.337 84.674 1.14372 70.3 1.4 1.3 6.1
179 8 1 -4 42.369 84.739 1.143 82.7 1.6 1.5 6.1
180 1 2 7 42.404 84.808 1.14224 59.5 1.2 1.1 6.1
181 5 4 -2 42.481 84.962 1.14057 54.8 1.1 1.0 6.1
182 4 3 -6 42.633 85.266 1.13728 82.7 1.6 1.5 6.1
183 2 4 4 42.696 85.392 1.13592 55.0 1.1 1.0 6.1
184 7 2 2 42.774 85.547 1.13426 130.3 2.5 2.3 6.1
185 8 1 1 42.918 85.836 1.13118 168.4 3.3 3.0 6.1
186 4 4 -4 43.097 86.194 1.1274 144.5 2.8 2.6 6.1
187 7 1 -6 43.395 86.791 1.12118 160.0 3.1 2.9 6.1
188 0 4 5 43.588 87.175 1.11721 126.4 2.5 2.3 6.2
189 7 3 0 44.034 88.067 1.10819 73.6 1.4 1.3 6.2
190 8 2 0 44.322 88.644 1.10247 149.0 2.9 2.7 6.2
191 0 5 2 44.397 88.794 1.10099 215.2 4.2 3.8 6.2
192 8 0 2 44.457 88.914 1.09981 129.0 2.5 2.3 6.2
193 3 1 7 44.574 89.148 1.09754 71.2 1.4 1.3 6.2
194 2 2 7 44.703 89.406 1.09503 138.6 2.7 2.5 6.2
195 4 4 3 44.93 89.859 1.09068 57.3 1.1 1.0 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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