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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SCHMIEDERITE
1
Pb(2)Cu(2)(OH)(4)[SeO(3)][SeO(4)]
Monoclinic P 2(1)/m Z = 2
R =0.058
11 .4 .1990
Ref.Str.:
Effenberger (1987)
* Mineralogy and Petrology, 36, 3-12
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.922 alpha = 90.0
b = 5.712 beta = 101.96
c = 9.396 gamma = 90.0
Unit cell volume (cub. angs.) = 520.95
Molar volume ( cub.cm/mol.) = 156.89
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.312 0.25 0.411 0.0 Pb = 1.00
2 0.328 0.25 0.9668 0.0 Pb = 1.00
3 0.99 0.993 0.2438 0.0 Cu = 1.00
4 0.35 0.75 0.2093 0.0 Se = 1.00
5 0.3347 0.75 0.689 0.0 Se = 1.00
6 0.365 0.75 0.034 0.0 O = 1.00
7 0.246 0.514 0.21 0.0 O = 1.00
8 0.5 0.75 0.755 0.0 O = 1.00
9 0.316 0.75 0.506 0.0 O = 1.00
10 0.264 0.989 0.732 0.0 O = 1.00
11 0.034 0.75 0.388 0.0 OH = 1.00
12 0.077 0.25 0.378 0.0 OH = 1.00
13 0.052 0.75 0.899 0.0 OH = 1.00
14 0.089 0.25 0.893 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.312 0.25 0.411
2 2 0.328 0.25 0.9668
3 3 0.99 0.993 0.2438
4 4 0.35 0.75 0.2093
5 5 0.3347 0.75 0.689
6 6 0.365 0.75 0.034
7 7 0.246 0.514 0.21
8 8 0.5 0.75 0.755
9 9 0.316 0.75 0.506
10 10 0.264 0.989 0.732
11 11 0.034 0.75 0.388
12 12 0.077 0.25 0.378
13 13 0.052 0.75 0.899
14 14 0.089 0.25 0.893
15 1 0.688 0.75 0.589
16 2 0.672 0.75 0.0332
17 3 0.01 0.493 0.7562
18 4 0.65 0.25 0.7907
19 5 0.6653 0.25 0.311
20 6 0.635 0.25 0.966
21 7 0.754 0.014 0.79
22 8 0.5 0.25 0.245
23 9 0.684 0.25 0.494
24 10 0.736 0.489 0.268
25 11 0.966 0.25 0.612
26 12 0.923 0.75 0.622
27 13 0.948 0.25 0.101
28 14 0.911 0.75 0.107
29 3 0.99 0.507 0.2438
30 7 0.246 0.986 0.21
31 10 0.264 0.511 0.732
32 3 0.01 0.007 0.7562
33 7 0.754 0.486 0.79
34 10 0.736 0.011 0.268
X-ray density (g/cm cub.) = 5.6
MU (1/cm) = 760.724 Mass attenuation coefficient (cm**2/g) = 135.733
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.192 6
2.3994 7
2.99 9
2.99 9
2.2876 12
2.668 8
2.3994 7
2 Pb 3.192 9
2.9316 6
2.9316 6
2.988 7
2.6291 10
2.3287 14
3.0476 6
2.81 8
2.988 7
2.6291 10
3 Cu 2.856 6
1.9256 11
2.0097 12
1.9741 13
1.9431 14
2.6246 7
2.579 10
4 Se 2.508 3
1.6843 6
1.6985 7
1.6985 7
5 Se 2.508 4
1.6288 8
1.6908 9
1.6237 10
1.6237 10
6 O 3.312 6
2.5991 7
3.1815 8
3.1211 10
3.1018 13
2.5991 7
3.1211 10
7 O 3.312 8
2.5991 6
3.0388 9
3.2399 11
2.9452 12
2.8965 8
3.2879 13
2.6961 7
3.0159 7
8 O 3.312 6
3.1815 6
2.6526 9
2.6802 10
2.8965 7
2.6802 10
2.8965 7
9 O 3.312 6
3.0388 7
2.6526 8
2.6633 10
2.7879 11
3.0388 7
2.6633 10
10 O 3.312 8
3.1211 6
2.6802 8
2.6633 9
3.1809 13
2.9351 14
3.2946 11
2.9817 10
2.7303 10
11 OH 3.36 9
3.2399 7
2.7879 9
2.8921 12
2.8921 12
3.2946 10
2.6553 12
2.6693 14
3.2399 7
3.2946 10
12 OH 3.36 6
2.9452 7
2.8921 11
2.8921 11
2.6553 11
2.6517 13
2.9452 7
13 OH 3.36 9
3.1018 6
3.1809 10
2.8815 14
2.8815 14
3.2879 7
2.6517 12
2.6287 14
3.1809 10
3.2879 7
14 OH 3.36 6
2.9351 10
2.8815 13
2.8815 13
2.6693 11
2.6287 13
2.9351 10
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 4.552 9.103 0.052 314.61 2 71.0 1169.6
2 0 0 1 4.807 9.614 0.054 281.83 2 22.1 101.9
3 1 0 -1 5.899 11.798 0.067 186.36 2 21.8 65.1
4 1 0 1 7.284 14.568 0.082 121.46 2 55.4 274.5
5 1 1 0 9.002 18.004 0.102 78.76 4 139.3 2252.5
6 2 0 0 9.132 18.264 0.103 76.47 2 146.7 1212.2
7 0 1 1 9.135 18.271 0.103 76.41 4 51.8 302.3
8 2 0 -1 9.404 18.809 0.106 71.98 2 24.5 31.8
9 0 0 2 9.648 19.296 0.109 68.28 2 32.1 51.9
10 1 1 -1 9.762 19.524 0.11 66.65 4 46.5 212.6
11 1 0 -2 9.783 19.567 0.11 66.35 2 230.9 2606.6
12 1 1 1 10.667 21.334 0.12 55.47 4 5.5 2.5
13 2 0 1 11.2 22.399 0.126 50.12 2 65.7 159.5
14 1 0 2 11.522 23.044 0.13 47.24 2 15.1 8.0
15 2 0 -2 11.862 23.724 0.133 44.45 2 115.7 438.5
16 2 1 0 12.021 24.042 0.135 43.23 4 75.5 362.9
17 2 1 -1 12.231 24.463 0.138 41.68 4 2.6 0.4
18 0 1 2 12.422 24.844 0.14 40.35 4 258.1 3963.1
19 1 1 -2 12.529 25.058 0.141 39.63 4 111.4 724.4
20 3 0 -1 13.617 27.235 0.153 33.24 2 12.3 3.7
21 2 1 1 13.677 27.354 0.153 32.93 4 67.8 222.9
22 3 0 0 13.773 27.545 0.155 32.45 2 500.2 5983.7
23 1 1 2 13.946 27.892 0.156 31.6 4 336.3 5266.3
24 2 1 -2 14.232 28.463 0.16 30.26 4 363.4 5889.1
25 1 0 -3 14.326 28.653 0.161 29.84 2 13.5 4.0
26 0 0 3 14.56 29.12 0.163 28.82 2 118.0 295.8
27 2 0 2 14.689 29.379 0.165 28.28 2 173.2 625.2
28 3 0 -2 15.142 30.283 0.17 26.51 2 34.1 22.7
29 2 0 -3 15.548 31.097 0.174 25.04 2 89.5 147.8
30 3 0 1 15.561 31.122 0.174 24.99 2 41.9 32.3
31 0 2 0 15.647 31.294 0.175 24.7 2 317.8 1838.3
32 3 1 -1 15.743 31.486 0.176 24.38 4 4.7 0.8
33 3 1 0 15.879 31.758 0.178 23.93 4 75.2 199.6
34 1 0 3 16.192 32.385 0.181 22.94 2 119.6 242.0
35 1 2 0 16.328 32.656 0.182 22.53 4 245.2 1996.5
36 1 1 -3 16.368 32.736 0.183 22.41 4 106.3 373.0
37 0 2 1 16.405 32.81 0.183 22.3 4 5.3 0.9
38 0 1 3 16.576 33.151 0.185 21.81 4 56.3 101.8
39 2 1 2 16.691 33.382 0.186 21.48 4 49.0 76.0
40 1 2 -1 16.776 33.551 0.187 21.25 4 24.1 18.2
41 3 1 -2 17.095 34.191 0.191 20.39 4 186.8 1048.5
42 1 2 1 17.339 34.678 0.193 19.77 4 69.2 139.5
43 2 1 -3 17.461 34.923 0.195 19.47 4 29.3 24.7
44 3 1 1 17.473 34.946 0.195 19.44 4 35.5 36.1
45 3 0 -3 17.959 35.918 0.2 18.31 2 83.4 93.8
46 1 1 3 18.045 36.089 0.201 18.12 4 93.1 231.7
47 4 0 -1 18.123 36.246 0.202 17.95 2 57.8 44.2
48 2 2 0 18.236 36.473 0.203 17.7 4 220.0 1263.2
49 2 2 -1 18.381 36.763 0.205 17.4 4 10.3 2.7
50 4 0 0 18.507 37.014 0.206 17.14 2 15.3 3.0
51 0 2 2 18.514 37.028 0.206 17.12 4 242.3 1482.0
52 3 0 2 18.559 37.118 0.207 17.03 2 19.1 4.6
53 1 2 -2 18.589 37.177 0.207 16.97 4 62.2 96.9
54 2 0 3 18.9 37.801 0.21 16.36 2 58.9 41.8
55 4 0 -2 19.075 38.149 0.212 16.03 2 290.8 999.5
56 1 0 -4 19.152 38.303 0.213 15.89 2 274.3 881.0
57 2 2 1 19.412 38.825 0.216 15.42 4 44.2 44.5
58 0 0 4 19.584 39.169 0.218 15.13 2 145.5 236.1
59 1 2 2 19.61 39.22 0.218 15.08 4 192.3 822.0
60 3 1 -3 19.666 39.332 0.218 14.99 4 79.2 138.5
61 4 1 -1 19.818 39.636 0.22 14.73 4 11.4 2.8
62 2 2 -2 19.823 39.645 0.22 14.72 4 1.1 0.0
63 2 0 -4 19.868 39.735 0.221 14.65 2 250.6 678.1
64 4 0 1 20.162 40.325 0.224 14.18 2 56.7 33.6
65 4 1 0 20.175 40.349 0.224 14.16 4 157.2 515.7
66 3 1 2 20.223 40.445 0.224 14.08 4 229.4 1092.8
67 2 1 3 20.541 41.081 0.228 13.6 4 139.7 391.3
68 4 1 -2 20.703 41.407 0.229 13.37 4 122.2 294.0
69 1 1 -4 20.775 41.55 0.23 13.26 4 83.8 137.2
70 3 2 -1 20.978 41.956 0.232 12.98 4 18.1 6.2
71 3 2 0 21.085 42.169 0.234 12.83 4 264.2 1319.5
72 1 0 4 21.107 42.214 0.234 12.8 2 280.0 739.3
73 0 1 4 21.18 42.361 0.235 12.7 4 101.6 193.2
74 4 0 -3 21.21 42.419 0.235 12.66 2 23.3 5.1
75 2 1 -4 21.446 42.892 0.237 12.35 4 69.7 88.3
76 1 2 -3 21.47 42.941 0.238 12.32 4 10.1 1.9
77 0 2 3 21.636 43.271 0.239 12.11 4 142.4 361.9
78 3 0 -4 21.637 43.274 0.239 12.11 2 174.6 272.1
79 4 1 1 21.723 43.446 0.24 12.0 4 51.7 47.2
80 2 2 2 21.728 43.455 0.24 11.99 4 67.7 80.9
81 3 2 -2 22.053 44.105 0.244 11.6 4 245.6 1031.1
82 2 2 -3 22.349 44.699 0.247 11.26 4 89.6 133.2
83 3 0 3 22.357 44.713 0.247 11.25 2 155.0 199.1
84 3 2 1 22.359 44.718 0.247 11.25 4 1.7 0.0
85 1 1 4 22.615 45.229 0.25 10.96 4 1.8 0.0
86 4 1 -3 22.712 45.424 0.251 10.85 4 85.3 116.5
87 1 2 3 22.827 45.654 0.252 10.73 4 68.0 73.2
88 5 0 -1 22.841 45.681 0.252 10.72 2 2.7 0.1
89 4 0 2 22.858 45.717 0.252 10.7 2 16.5 2.1
90 3 1 -4 23.117 46.234 0.255 10.43 4 98.8 149.9
91 5 0 0 23.377 46.754 0.258 10.17 2 158.3 187.9
92 5 0 -2 23.419 46.837 0.258 10.13 2 172.2 221.4
93 2 0 4 23.546 47.093 0.259 10.0 2 168.5 209.2
94 3 1 3 23.801 47.603 0.262 9.76 4 50.3 36.4
95 3 2 -3 24.183 48.366 0.266 9.42 4 66.0 60.5
96 1 0 -5 24.203 48.405 0.266 9.4 2 100.8 70.3
97 5 1 -1 24.263 48.526 0.267 9.34 4 24.5 8.2
98 4 0 -4 24.275 48.55 0.267 9.33 2 184.7 234.6
99 4 1 2 24.28 48.56 0.267 9.33 4 264.8 963.9
100 4 2 -1 24.312 48.623 0.267 9.3 4 3.6 0.2
101 1 3 0 24.347 48.695 0.268 9.27 4 133.0 241.6
102 0 3 1 24.403 48.805 0.268 9.22 4 56.5 43.5
103 2 0 -5 24.592 49.184 0.27 9.06 2 77.0 39.6
104 4 2 0 24.616 49.232 0.27 9.04 4 225.6 678.5
105 3 2 2 24.657 49.314 0.271 9.01 4 158.0 331.4
106 1 3 -1 24.671 49.342 0.271 9.0 4 20.8 5.7
107 0 0 5 24.771 49.542 0.272 8.91 2 190.1 237.5
108 5 1 0 24.776 49.552 0.272 8.91 4 43.4 24.7
109 5 1 -2 24.816 49.631 0.272 8.88 4 324.0 1373.5
110 2 2 3 24.93 49.859 0.274 8.79 4 36.1 16.8
111 2 1 4 24.938 49.876 0.274 8.78 4 100.1 129.7
112 5 0 1 24.972 49.945 0.274 8.75 2 74.2 35.5
113 5 0 -3 25.051 50.103 0.275 8.69 2 41.1 10.8
114 4 2 -2 25.07 50.139 0.275 8.68 4 29.1 10.8
115 1 3 1 25.085 50.17 0.275 8.66 4 13.3 2.3
116 1 2 -4 25.132 50.263 0.276 8.63 4 365.6 1699.7
117 0 2 4 25.482 50.964 0.279 8.36 4 86.5 92.2
118 1 1 -5 25.568 51.135 0.28 8.3 4 119.3 174.0
119 4 1 -4 25.637 51.274 0.281 8.24 4 14.8 2.7
120 2 2 -4 25.713 51.426 0.282 8.19 4 116.9 165.0
121 2 3 0 25.758 51.517 0.282 8.16 4 75.3 68.1
122 2 3 -1 25.869 51.738 0.283 8.08 4 9.2 1.0
123 3 0 -5 25.907 51.814 0.284 8.05 2 159.5 150.9
124 2 1 -5 25.942 51.884 0.284 8.03 4 168.2 334.8
125 4 2 1 25.955 51.909 0.284 8.02 4 121.0 173.0
126 0 3 2 25.97 51.94 0.284 8.01 4 206.2 501.8
127 1 3 -2 26.027 52.054 0.285 7.97 4 85.5 85.8
128 0 1 5 26.114 52.228 0.286 7.9 4 91.0 96.4
129 1 0 5 26.251 52.502 0.287 7.81 2 17.0 1.7
130 5 1 1 26.308 52.616 0.288 7.77 4 132.4 200.9
131 4 0 3 26.352 52.704 0.288 7.74 2 126.8 91.7
132 5 1 -3 26.384 52.768 0.288 7.72 4 20.3 4.7
133 2 3 1 26.665 53.329 0.291 7.54 4 45.8 23.3
134 3 0 4 26.716 53.431 0.292 7.51 2 66.6 24.5
135 1 2 4 26.738 53.476 0.292 7.49 4 57.3 36.2
136 1 3 2 26.82 53.639 0.293 7.44 4 273.9 822.8
137 4 2 -3 26.824 53.648 0.293 7.44 4 1.3 0.0
138 2 3 -2 26.987 53.974 0.295 7.33 4 299.4 969.0
139 3 2 -4 27.183 54.366 0.297 7.21 4 54.6 31.7
140 3 1 -5 27.21 54.419 0.297 7.2 4 41.4 18.2
141 5 0 2 27.491 54.982 0.3 7.03 2 175.7 159.9
142 1 1 5 27.542 55.085 0.3 7.0 4 193.8 387.6
143 5 0 -4 27.602 55.203 0.301 6.97 2 231.0 274.1
144 4 1 3 27.64 55.28 0.301 6.95 4 99.2 100.7
145 6 0 -1 27.777 55.555 0.303 6.87 2 3.7 0.1
146 3 2 3 27.793 55.587 0.303 6.86 4 182.6 337.2
147 3 3 -1 27.91 55.819 0.304 6.8 4 17.9 3.2
148 3 1 4 27.992 55.984 0.305 6.75 4 75.1 56.1
149 3 3 0 27.996 55.992 0.305 6.75 4 77.6 59.9
150 4 0 -5 28.054 56.109 0.305 6.72 2 68.7 23.3
151 6 0 -2 28.091 56.182 0.306 6.7 2 102.9 52.2
152 5 2 -1 28.208 56.416 0.307 6.63 4 42.0 17.2
153 4 2 2 28.223 56.446 0.307 6.63 4 232.2 526.3
154 1 3 -3 28.309 56.619 0.308 6.58 4 105.0 107.0
155 6 0 0 28.433 56.867 0.309 6.51 2 316.8 481.8
156 0 3 3 28.444 56.889 0.309 6.51 4 36.6 12.9
157 2 3 2 28.52 57.04 0.31 6.47 4 46.1 20.3
158 2 0 5 28.543 57.085 0.31 6.46 2 95.7 43.6
159 5 2 0 28.67 57.34 0.311 6.39 4 291.4 800.4
160 5 2 -2 28.706 57.412 0.312 6.38 4 31.3 9.2
161 5 1 2 28.745 57.489 0.312 6.36 4 3.2 0.1
162 3 3 -2 28.787 57.574 0.313 6.34 4 171.4 274.4
163 2 2 4 28.817 57.634 0.313 6.32 4 265.3 655.5
164 5 1 -4 28.852 57.704 0.313 6.3 4 113.7 120.1
165 6 1 -1 29.023 58.046 0.315 6.22 4 0.4 0.0
166 2 3 -3 29.032 58.065 0.315 6.21 4 13.9 1.8
167 3 3 1 29.04 58.08 0.315 6.21 4 46.3 19.6
168 4 1 -5 29.292 58.584 0.318 6.09 4 107.1 103.0
169 6 1 -2 29.328 58.655 0.318 6.07 4 108.9 106.3
170 6 0 -3 29.354 58.707 0.318 6.06 2 48.8 10.6
171 1 2 -5 29.388 58.777 0.319 6.05 4 100.7 90.3
172 1 3 3 29.43 58.86 0.319 6.03 4 60.4 32.4
173 4 2 -4 29.452 58.903 0.319 6.02 4 376.5 1256.9
174 1 0 -6 29.505 59.011 0.32 5.99 2 45.3 9.1
175 6 1 0 29.661 59.322 0.321 5.92 4 145.1 183.9
176 2 0 -6 29.662 59.325 0.321 5.92 2 38.7 6.5
177 2 2 -5 29.73 59.459 0.322 5.89 4 74.5 48.3
178 2 1 5 29.767 59.535 0.322 5.88 4 76.4 50.5
179 0 2 5 29.887 59.774 0.323 5.82 4 133.8 153.7
180 6 0 1 30.018 60.035 0.325 5.77 2 57.2 13.9
181 5 2 1 30.065 60.129 0.325 5.75 4 12.3 1.3
182 5 2 -3 30.134 60.269 0.326 5.72 4 67.9 38.9
183 0 0 6 30.185 60.37 0.326 5.69 2 150.6 95.2
184 4 0 4 30.475 60.95 0.329 5.57 2 276.9 314.9
185 6 1 -3 30.558 61.116 0.33 5.54 4 31.7 8.2
186 3 3 -3 30.575 61.15 0.33 5.53 4 51.4 21.5
187 3 0 -6 30.649 61.297 0.331 5.5 2 94.3 36.1
188 4 3 -1 30.685 61.37 0.331 5.49 4 24.1 4.7
189 1 1 -6 30.706 61.412 0.331 5.48 4 185.4 277.7
190 5 0 3 30.786 61.572 0.332 5.45 2 134.2 72.3
191 2 1 -6 30.859 61.719 0.333 5.42 4 5.4 0.2
192 3 2 -5 30.894 61.788 0.333 5.41 4 139.6 155.3
193 5 0 -5 30.924 61.847 0.334 5.4 2 85.9 29.4
194 4 3 0 30.946 61.891 0.334 5.39 4 137.4 150.0
195 3 3 2 30.981 61.962 0.334 5.37 4 187.0 276.9
196 1 2 5 31.201 62.403 0.336 5.29 4 74.7 43.5
197 6 1 1 31.206 62.413 0.336 5.29 4 50.5 19.9
198 2 3 3 31.216 62.431 0.336 5.29 4 134.4 140.7
199 4 2 3 31.292 62.584 0.337 5.26 4 38.0 11.2
200 4 3 -2 31.337 62.673 0.338 5.24 4 110.3 94.0
201 0 1 6 31.37 62.74 0.338 5.23 4 162.4 203.1
202 1 3 -4 31.39 62.78 0.338 5.22 4 60.5 28.2
203 6 0 -4 31.494 62.988 0.339 5.18 2 185.8 131.9
204 3 0 5 31.537 63.073 0.34 5.17 2 165.1 103.8
205 3 2 4 31.618 63.237 0.34 5.14 4 54.6 22.6
206 4 1 4 31.654 63.307 0.341 5.13 4 33.7 8.6
207 1 0 6 31.669 63.338 0.341 5.12 2 106.4 42.7
208 0 3 4 31.694 63.388 0.341 5.11 4 97.6 71.7
209 3 1 -6 31.824 63.647 0.342 5.07 4 208.2 323.7
210 2 3 -4 31.895 63.789 0.343 5.04 4 68.3 34.7
211 5 1 3 31.958 63.917 0.344 5.02 4 107.7 85.9
212 5 1 -5 32.093 64.186 0.345 4.97 4 92.5 62.7
213 4 3 1 32.106 64.211 0.345 4.97 4 56.6 23.4
214 5 2 2 32.319 64.637 0.347 4.9 4 11.4 0.9
215 5 2 -4 32.419 64.838 0.348 4.87 4 109.1 85.3
216 4 0 -6 32.419 64.838 0.348 4.87 2 123.2 54.4
217 6 0 2 32.448 64.896 0.348 4.86 2 59.3 12.6
218 6 2 -1 32.578 65.157 0.35 4.82 4 34.0 8.2
219 0 4 0 32.644 65.287 0.35 4.79 2 451.1 718.9
220 6 1 -4 32.652 65.304 0.35 4.79 4 100.6 71.4
221 3 1 5 32.694 65.387 0.351 4.78 4 155.7 170.8
222 1 3 4 32.794 65.587 0.352 4.75 4 7.2 0.4
223 1 1 6 32.823 65.647 0.352 4.74 4 14.0 1.4
224 4 2 -5 32.83 65.661 0.352 4.74 4 59.2 24.5
225 6 2 -2 32.864 65.728 0.352 4.73 4 198.8 275.4
226 4 3 -3 32.869 65.739 0.352 4.72 4 87.3 53.1
227 7 0 -1 32.979 65.959 0.353 4.69 2 99.6 34.3
228 1 4 0 33.04 66.079 0.354 4.67 4 49.0 16.5
229 0 4 1 33.085 66.17 0.354 4.66 4 14.4 1.4
230 7 0 -2 33.091 66.181 0.354 4.66 2 150.3 77.5
231 6 2 0 33.176 66.353 0.355 4.63 4 206.8 292.0
232 3 3 -4 33.188 66.375 0.355 4.63 4 82.4 46.4
233 2 2 5 33.276 66.553 0.356 4.6 4 123.7 103.8
234 1 4 -1 33.306 66.613 0.356 4.59 4 15.6 1.6
235 4 1 -6 33.56 67.12 0.359 4.52 4 181.8 220.1
236 6 1 2 33.588 67.177 0.359 4.51 4 176.9 208.1
237 1 4 1 33.65 67.299 0.36 4.5 4 38.2 9.7
238 3 3 3 33.731 67.462 0.36 4.47 4 34.4 7.8
239 7 0 0 33.745 67.489 0.361 4.47 2 1.2 0.0
240 2 0 6 33.899 67.798 0.362 4.43 2 48.3 7.6
241 6 2 -3 34.021 68.042 0.363 4.39 4 11.7 0.9
242 7 0 -3 34.074 68.148 0.364 4.38 2 51.4 8.5
243 5 3 -1 34.102 68.204 0.364 4.37 4 5.0 0.2
244 7 1 -1 34.111 68.221 0.364 4.37 4 1.0 0.0
245 4 3 2 34.115 68.231 0.364 4.37 4 238.0 364.8
246 1 2 -6 34.161 68.322 0.364 4.36 4 60.6 23.6
247 2 4 0 34.213 68.427 0.365 4.34 4 96.2 59.2
248 7 1 -2 34.22 68.44 0.365 4.34 4 139.8 125.0
249 2 2 -6 34.306 68.612 0.366 4.32 4 96.0 58.6
250 2 4 -1 34.306 68.613 0.366 4.32 4 19.2 2.3
251 0 4 2 34.392 68.784 0.367 4.3 4 11.7 0.9
252 6 0 -5 34.424 68.848 0.367 4.29 2 104.7 34.7
253 1 4 -2 34.44 68.88 0.367 4.28 4 179.1 202.4
254 5 3 0 34.518 69.035 0.368 4.26 4 35.8 8.0
255 5 3 -2 34.55 69.1 0.368 4.26 4 288.6 522.6
256 6 2 1 34.634 69.269 0.369 4.23 4 15.3 1.5
257 2 3 4 34.65 69.3 0.369 4.23 4 88.7 49.0
258 5 0 4 34.751 69.502 0.37 4.21 2 56.0 9.7
259 0 2 6 34.789 69.579 0.37 4.2 4 30.1 5.6
260 7 1 0 34.864 69.728 0.371 4.18 4 129.7 103.6
261 5 0 -6 34.912 69.824 0.372 4.17 2 24.7 1.9
262 2 4 1 34.982 69.963 0.372 4.15 4 48.1 14.2
263 2 1 6 35.016 70.031 0.372 4.14 4 140.4 120.4
264 4 2 4 35.059 70.117 0.373 4.13 4 81.8 40.7
265 2 0 -7 35.104 70.207 0.373 4.12 2 90.6 24.9
266 1 4 2 35.114 70.228 0.373 4.12 4 13.5 1.1
267 1 0 -7 35.128 70.256 0.374 4.11 2 204.6 126.9
268 4 0 5 35.149 70.298 0.374 4.11 2 49.6 7.4
269 1 3 -5 35.167 70.335 0.374 4.11 4 93.6 53.0
270 7 1 -3 35.188 70.376 0.374 4.1 4 27.1 4.4
271 3 2 -6 35.22 70.441 0.374 4.09 4 108.7 71.3
272 4 3 -4 35.225 70.45 0.374 4.09 4 5.2 0.2
273 2 4 -2 35.257 70.515 0.375 4.08 4 84.0 42.4
274 5 2 3 35.348 70.697 0.376 4.06 4 54.7 17.9
275 7 0 1 35.359 70.718 0.376 4.06 2 53.8 8.7
276 5 2 -5 35.477 70.953 0.377 4.03 4 60.4 21.7
277 2 3 -5 35.478 70.956 0.377 4.03 4 162.0 156.0
278 6 1 -5 35.533 71.066 0.377 4.02 4 24.5 3.6
279 0 3 5 35.622 71.243 0.378 4.0 4 69.4 28.4
280 6 0 3 35.639 71.279 0.378 4.0 2 148.7 65.1
281 5 3 1 35.784 71.567 0.38 3.97 4 100.4 59.0
282 3 0 -7 35.843 71.686 0.38 3.95 2 85.8 21.4
283 5 3 -3 35.847 71.695 0.38 3.95 4 5.2 0.2
284 5 1 4 35.856 71.711 0.38 3.95 4 112.3 73.4
285 7 0 -4 35.895 71.791 0.381 3.94 2 162.6 76.8
286 0 0 7 35.915 71.831 0.381 3.94 2 25.5 1.9
287 6 2 -4 36.01 72.02 0.382 3.92 4 59.8 20.6
288 5 1 -6 36.015 72.03 0.382 3.92 4 4.2 0.1
289 3 2 5 36.05 72.099 0.382 3.91 4 119.4 82.2
290 3 4 -1 36.054 72.109 0.382 3.91 4 7.7 0.3
291 3 4 0 36.129 72.259 0.383 3.89 4 362.7 754.6
292 1 2 6 36.174 72.347 0.383 3.88 4 85.9 42.2
293 2 1 -7 36.204 72.408 0.383 3.88 4 179.1 183.2
294 1 1 -7 36.228 72.456 0.384 3.87 4 22.6 2.9
295 4 1 5 36.248 72.497 0.384 3.87 4 222.0 281.0
296 1 4 -3 36.403 72.806 0.385 3.84 4 12.0 0.8
297 7 1 1 36.456 72.911 0.386 3.83 4 65.5 24.2
298 0 4 3 36.521 73.042 0.386 3.81 4 90.4 45.9
299 3 3 -5 36.545 73.089 0.387 3.81 4 21.1 2.5
300 2 4 2 36.587 73.174 0.387 3.8 4 152.8 130.7
301 6 1 3 36.733 73.465 0.388 3.77 4 6.4 0.2
302 3 0 6 36.815 73.631 0.389 3.75 2 110.9 34.0
303 3 4 -2 36.822 73.644 0.389 3.75 4 34.2 6.5
304 1 3 5 36.828 73.656 0.389 3.75 4 188.0 195.4
305 4 2 -6 36.879 73.758 0.39 3.74 4 48.4 12.9
306 6 2 2 36.906 73.813 0.39 3.74 4 31.6 5.5
307 4 3 3 36.912 73.823 0.39 3.74 4 76.6 32.3
308 3 1 -7 36.934 73.868 0.39 3.73 4 110.0 66.5
309 7 1 -4 36.986 73.971 0.391 3.72 4 72.3 28.7
310 0 1 7 37.005 74.011 0.391 3.72 4 151.8 126.4
311 2 4 -3 37.038 74.076 0.391 3.71 4 69.0 26.1
312 3 4 1 37.045 74.089 0.391 3.71 4 34.3 6.5
313 3 3 4 37.214 74.428 0.393 3.68 4 77.0 32.2
314 4 0 -7 37.327 74.654 0.394 3.66 2 172.2 80.0
315 1 4 3 37.39 74.779 0.394 3.65 4 90.9 44.4
316 7 2 -1 37.408 74.816 0.394 3.65 4 29.9 4.8
317 1 0 7 37.446 74.892 0.395 3.64 2 114.1 34.9
318 7 2 -2 37.513 75.027 0.395 3.63 4 22.4 2.7
319 7 0 2 37.776 75.552 0.398 3.58 2 77.2 15.7
320 5 3 2 37.865 75.73 0.398 3.57 4 7.3 0.3
321 3 1 6 37.896 75.791 0.399 3.56 4 119.9 75.5
322 5 3 -4 37.958 75.917 0.399 3.55 4 100.4 52.7
323 6 0 -6 38.074 76.147 0.4 3.53 2 31.2 2.5
324 6 3 -1 38.107 76.215 0.401 3.53 4 7.8 0.3
325 7 2 0 38.134 76.269 0.401 3.52 4 141.6 104.0
326 2 2 6 38.281 76.562 0.402 3.5 4 69.9 25.2
327 4 3 -5 38.343 76.686 0.403 3.49 4 84.6 36.8
328 6 3 -2 38.374 76.749 0.403 3.48 4 106.8 58.6
329 4 1 -7 38.402 76.804 0.403 3.48 4 66.0 22.3
330 3 4 -3 38.412 76.825 0.403 3.48 4 63.9 20.9
331 7 2 -3 38.448 76.895 0.404 3.47 4 3.6 0.1
332 8 0 -2 38.471 76.941 0.404 3.47 2 217.4 120.8
333 7 0 -5 38.508 77.016 0.404 3.46 2 53.6 7.3
334 4 4 -1 38.512 77.023 0.404 3.46 4 39.2 7.8
335 1 1 7 38.52 77.04 0.404 3.46 4 169.8 147.1
336 8 0 -1 38.528 77.057 0.404 3.46 2 8.5 0.2
337 6 3 0 38.667 77.335 0.406 3.44 4 133.7 90.5
338 4 4 0 38.747 77.493 0.406 3.43 4 2.3 0.0
339 2 3 5 38.761 77.523 0.406 3.42 4 55.2 15.4
340 3 4 2 38.779 77.557 0.407 3.42 4 1.3 0.0
341 6 2 -5 38.782 77.563 0.407 3.42 4 125.6 79.5
342 7 1 2 38.847 77.694 0.407 3.41 4 166.6 139.5
343 2 4 3 38.991 77.982 0.408 3.39 4 52.7 13.9
344 5 2 4 39.094 78.189 0.409 3.38 4 204.6 208.2
345 4 4 -2 39.101 78.201 0.409 3.38 4 204.9 208.8
346 6 1 -6 39.142 78.284 0.41 3.37 4 219.9 240.2
347 1 4 -4 39.149 78.298 0.41 3.37 4 191.1 181.2
348 8 0 -3 39.237 78.473 0.411 3.36 2 6.5 0.1
349 5 2 -6 39.249 78.497 0.411 3.35 4 121.0 72.4
350 5 0 5 39.342 78.684 0.412 3.34 2 69.3 11.8
351 8 0 0 39.409 78.818 0.412 3.33 2 96.8 23.0
352 0 4 4 39.426 78.851 0.412 3.33 4 106.6 55.8
353 2 2 -7 39.432 78.864 0.412 3.33 4 103.4 52.4
354 1 2 -7 39.456 78.911 0.412 3.33 4 184.1 166.1
355 6 3 -3 39.463 78.926 0.413 3.32 4 18.0 1.6
356 4 2 5 39.476 78.951 0.413 3.32 4 33.6 5.5
357 5 0 -7 39.527 79.054 0.413 3.32 2 53.9 7.1
358 6 0 4 39.536 79.072 0.413 3.31 2 60.1 8.8
359 8 1 -2 39.536 79.072 0.413 3.31 4 240.2 282.0
360 7 1 -5 39.573 79.146 0.414 3.31 4 105.1 53.9
361 8 1 -1 39.593 79.186 0.414 3.31 4 3.2 0.0
362 1 3 -6 39.595 79.191 0.414 3.31 4 169.5 140.1
363 2 4 -4 39.609 79.218 0.414 3.31 4 210.2 215.2
364 7 2 1 39.677 79.354 0.414 3.3 4 117.3 66.9
365 2 0 7 39.691 79.381 0.415 3.29 2 227.2 125.3
366 2 3 -6 39.733 79.465 0.415 3.29 4 9.5 0.4
367 4 4 1 39.802 79.603 0.416 3.28 4 44.6 9.6
368 6 2 3 39.947 79.893 0.417 3.26 4 186.3 166.8
369 6 3 1 40.044 80.088 0.418 3.25 4 57.2 15.7
370 3 2 -7 40.143 80.285 0.418 3.24 4 108.1 55.8
371 0 3 6 40.191 80.383 0.419 3.23 4 135.8 87.8
372 7 2 -4 40.193 80.386 0.419 3.23 4 329.6 517.2
373 0 2 7 40.212 80.425 0.419 3.23 4 69.9 23.3
374 8 1 -3 40.296 80.592 0.42 3.22 4 3.1 0.0
375 4 0 6 40.379 80.759 0.421 3.21 2 106.5 26.8
376 5 1 5 40.401 80.802 0.421 3.21 4 46.2 10.1
377 1 4 4 40.434 80.868 0.421 3.2 4 223.5 235.7
378 4 3 4 40.448 80.895 0.421 3.2 4 38.7 7.1
379 8 1 0 40.467 80.935 0.421 3.2 4 9.3 0.4
380 4 4 -3 40.504 81.008 0.422 3.19 4 19.8 1.9
381 5 1 -7 40.585 81.17 0.422 3.18 4 172.9 140.2
382 6 1 4 40.593 81.187 0.422 3.18 4 32.3 4.9
383 3 3 -6 40.602 81.203 0.422 3.18 4 187.0 164.1
384 5 3 3 40.724 81.448 0.423 3.17 4 112.8 59.4
385 2 1 7 40.747 81.495 0.424 3.17 4 3.4 0.1
386 3 4 -4 40.798 81.596 0.424 3.16 4 132.3 81.5
387 8 0 -4 40.814 81.627 0.424 3.16 2 221.5 114.2
388 5 3 -5 40.846 81.692 0.425 3.15 4 95.8 42.7
389 7 0 3 40.956 81.912 0.425 3.14 2 90.8 19.1
390 2 0 -8 41.006 82.012 0.426 3.14 2 176.2 71.8
391 3 2 6 41.082 82.164 0.427 3.13 4 9.4 0.4
392 8 0 1 41.098 82.196 0.427 3.13 2 66.2 10.1
393 1 0 -8 41.188 82.377 0.427 3.12 2 80.9 15.0
394 3 4 3 41.303 82.605 0.428 3.11 4 120.9 67.0
395 6 3 -4 41.357 82.713 0.429 3.1 4 82.0 30.7
396 3 3 5 41.395 82.789 0.429 3.1 4 130.6 77.8
397 4 1 6 41.432 82.864 0.43 3.09 4 14.7 1.0
398 1 3 6 41.514 83.027 0.43 3.08 4 11.7 0.6
399 3 0 -8 41.551 83.102 0.431 3.08 2 12.7 0.4
400 4 2 -7 41.578 83.156 0.431 3.08 4 159.3 115.2
401 5 4 -1 41.649 83.297 0.431 3.07 4 0.1 0.0
402 4 4 2 41.661 83.323 0.431 3.07 4 20.3 1.9
403 1 2 7 41.694 83.387 0.432 3.07 4 177.4 142.2
404 8 1 -4 41.864 83.728 0.433 3.05 4 122.6 67.6
405 7 0 -6 41.878 83.756 0.433 3.05 2 168.9 64.1
406 7 1 3 42.006 84.012 0.434 3.04 4 113.4 57.5
407 7 2 2 42.015 84.029 0.434 3.04 4 188.5 159.1
408 5 4 0 42.038 84.077 0.435 3.03 4 120.7 65.2
409 2 1 -8 42.055 84.111 0.435 3.03 4 13.2 0.8
410 5 4 -2 42.069 84.137 0.435 3.03 4 133.5 79.7
411 0 0 8 42.097 84.194 0.435 3.03 2 7.5 0.1
412 8 1 1 42.147 84.294 0.436 3.02 4 135.1 81.4
413 2 4 4 42.163 84.325 0.436 3.02 4 126.9 71.8
414 4 3 -6 42.193 84.385 0.436 3.02 4 170.3 129.1
415 6 3 2 42.219 84.438 0.436 3.02 4 156.8 109.4
416 1 1 -8 42.237 84.474 0.436 3.02 4 23.3 2.4
417 6 2 -6 42.305 84.609 0.437 3.01 4 93.4 38.7
418 6 0 -7 42.42 84.841 0.438 3.0 2 124.2 34.1
419 3 1 -8 42.599 85.197 0.439 2.99 4 8.0 0.3
420 3 0 7 42.628 85.255 0.44 2.98 2 11.5 0.3
421 1 4 -5 42.65 85.301 0.44 2.98 4 79.4 27.7
422 8 2 -2 42.692 85.385 0.44 2.98 4 46.4 9.5
423 7 3 -1 42.704 85.408 0.44 2.98 4 10.1 0.4
424 4 4 -4 42.705 85.409 0.44 2.98 4 152.7 102.4
425 7 2 -5 42.729 85.458 0.44 2.98 4 15.5 1.1
426 8 2 -1 42.749 85.497 0.441 2.97 4 84.3 31.2
427 1 5 0 42.759 85.518 0.441 2.97 4 96.6 40.9
428 0 5 1 42.801 85.602 0.441 2.97 4 18.1 1.4
429 7 3 -2 42.806 85.612 0.441 2.97 4 138.6 84.1
430 4 0 -8 42.82 85.639 0.441 2.97 2 107.3 25.2
431 7 1 -6 42.924 85.848 0.442 2.96 4 154.6 104.2
432 2 4 -5 42.944 85.888 0.442 2.96 4 59.5 15.5
433 1 5 -1 43.004 86.009 0.443 2.95 4 38.3 6.4
434 0 4 5 43.08 86.161 0.443 2.95 4 151.4 99.5
435 0 1 8 43.143 86.285 0.444 2.94 4 23.8 2.4
436 8 0 -5 43.185 86.37 0.444 2.94 2 73.9 11.8
437 5 4 1 43.234 86.469 0.445 2.94 4 57.6 14.4
438 5 4 -3 43.295 86.59 0.445 2.93 4 34.6 5.2
439 1 5 1 43.321 86.642 0.445 2.93 4 14.2 0.9
440 7 3 0 43.409 86.817 0.446 2.92 4 109.0 51.2
441 8 2 -3 43.442 86.885 0.446 2.92 4 53.1 12.2
442 6 1 -7 43.465 86.93 0.447 2.92 4 79.5 27.2
443 5 2 5 43.546 87.092 0.447 2.91 4 151.5 98.6
444 2 3 6 43.552 87.103 0.447 2.91 4 125.3 67.4
445 8 0 2 43.58 87.159 0.447 2.91 2 168.7 61.0
446 8 2 0 43.611 87.223 0.448 2.91 4 249.9 267.7
447 3 1 7 43.672 87.344 0.448 2.91 4 144.4 89.3
448 7 3 -3 43.714 87.428 0.449 2.9 4 35.5 5.4
449 1 0 8 43.726 87.452 0.449 2.9 2 144.4 44.6
450 5 2 -7 43.728 87.455 0.449 2.9 4 36.9 5.8
451 6 2 4 43.736 87.472 0.449 2.9 4 30.4 4.0
452 2 5 0 43.844 87.687 0.45 2.89 4 62.8 16.8
453 4 1 -8 43.863 87.727 0.45 2.89 4 1.3 0.0
454 2 2 7 43.888 87.777 0.45 2.89 4 173.0 127.5
455 2 5 -1 43.93 87.86 0.45 2.89 4 15.8 1.1
456 3 4 -5 43.96 87.92 0.451 2.89 4 128.2 70.0
457 0 5 2 44.01 88.02 0.451 2.88 4 172.0 125.7
458 6 3 -5 44.04 88.08 0.451 2.88 4 32.6 4.5
459 1 5 -2 44.055 88.11 0.451 2.88 4 85.6 31.1
460 6 0 5 44.137 88.275 0.452 2.88 2 127.9 34.6
461 8 1 -5 44.228 88.456 0.453 2.87 4 55.5 13.0
462 1 4 5 44.232 88.464 0.453 2.87 4 15.2 1.0
463 4 4 3 44.312 88.624 0.453 2.87 4 98.4 40.9
464 9 0 -2 44.345 88.69 0.454 2.86 2 122.0 31.4
465 5 3 4 44.346 88.691 0.454 2.86 4 100.1 42.3
466 5 3 -6 44.497 88.994 0.455 2.85 4 0.4 0.0
467 9 0 -1 44.559 89.118 0.455 2.85 2 5.5 0.1
468 2 5 1 44.562 89.124 0.455 2.85 4 60.8 15.5
469 4 2 6 44.567 89.134 0.456 2.85 4 38.3 6.2
470 5 0 6 44.594 89.188 0.456 2.85 2 19.7 0.8
471 3 4 4 44.603 89.206 0.456 2.85 4 54.9 12.7
472 8 1 2 44.622 89.244 0.456 2.85 4 1.7 0.0
473 2 3 -7 44.677 89.354 0.456 2.85 4 149.2 93.4
474 1 5 2 44.687 89.373 0.456 2.84 4 232.3 226.2
475 1 3 -7 44.7 89.4 0.457 2.84 4 30.9 4.0
476 4 3 5 44.719 89.439 0.457 2.84 4 208.8 182.7
477 1 1 8 44.768 89.536 0.457 2.84 4 6.2 0.2
478 5 0 -8 44.806 89.612 0.457 2.84 2 151.2 47.8
479 2 5 -2 44.822 89.643 0.458 2.84 4 249.6 260.6
480 7 0 4 44.891 89.782 0.458 2.83 2 166.7 58.1
481 7 3 1 44.917 89.834 0.458 2.83 4 67.1 18.8
482 9 0 -3 44.935 89.871 0.458 2.83 2 31.0 2.0
483 8 2 -4 44.996 89.992 0.459 2.83 4 61.9 15.9
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 4.552 9.103 9.70662 1169.6 19.5 19.8 5.6
2 0 0 1 4.807 9.614 9.19204 101.9 1.7 1.7 5.6
3 1 0 -1 5.899 11.798 7.49454 65.1 1.1 1.1 5.6
4 1 0 1 7.284 14.568 6.07524 274.5 4.6 4.6 5.6
5 1 1 0 9.002 18.004 4.92287 2252.5 37.6 37.9 5.6
6 2 0 0 9.132 18.264 4.85331 1514.4 25.3 25.5 5.6
7 1 0 -2 9.783 19.567 4.5331 2819.2 47.1 47.4 5.6
8 2 0 1 11.2 22.399 3.96588 159.5 2.7 2.7 5.6
9 2 0 -2 11.862 23.724 3.74727 438.5 7.3 7.4 5.6
10 2 1 0 12.021 24.042 3.69853 362.9 6.1 6.1 5.6
11 0 1 2 12.422 24.844 3.58079 3963.1 66.2 66.4 5.6
12 1 1 -2 12.529 25.058 3.5508 724.4 12.1 12.1 5.6
13 2 1 1 13.677 27.354 3.25766 222.9 3.7 3.7 5.6
14 3 0 0 13.773 27.545 3.23554 5983.7 100.0 100.0 5.6
15 1 1 2 13.946 27.892 3.19611 5266.3 88.0 88.0 5.6
16 2 1 -2 14.232 28.463 3.13321 5889.1 98.4 98.3 5.6
17 0 0 3 14.56 29.12 3.06401 295.8 4.9 4.9 5.6
18 2 0 2 14.689 29.379 3.03762 625.2 10.4 10.4 5.6
19 2 0 -3 15.548 31.097 2.8736 180.1 3.0 3.0 5.6
20 0 2 0 15.647 31.294 2.856 1838.3 30.7 30.6 5.6
21 3 1 0 15.879 31.758 2.81526 199.6 3.3 3.3 5.6
22 1 0 3 16.192 32.385 2.7622 242.0 4.0 4.0 5.6
23 1 2 0 16.328 32.656 2.73986 1996.5 33.4 33.2 5.6
24 1 1 -3 16.368 32.736 2.73338 373.0 6.2 6.2 5.6
25 0 1 3 16.576 33.151 2.70008 101.8 1.7 1.7 5.6
26 2 1 2 16.691 33.382 2.68196 76.0 1.3 1.3 5.7
27 3 1 -2 17.095 34.191 2.62033 1048.5 17.5 17.4 5.7
28 1 2 1 17.339 34.678 2.58464 139.5 2.3 2.3 5.7
29 3 1 1 17.473 34.946 2.56543 60.8 1.0 1.0 5.7
30 3 0 -3 17.959 35.918 2.49818 93.8 1.6 1.6 5.7
31 1 1 3 18.045 36.089 2.4867 231.7 3.9 3.8 5.7
32 2 2 0 18.236 36.473 2.46144 1263.2 21.1 20.9 5.7
33 0 2 2 18.514 37.028 2.42579 1485.0 24.8 24.6 5.7
34 1 2 -2 18.589 37.177 2.4164 96.9 1.6 1.6 5.7
35 4 0 -2 19.075 38.149 2.35704 999.5 16.7 16.5 5.7
36 1 0 -4 19.152 38.303 2.34793 881.0 14.7 14.6 5.7
37 1 2 2 19.61 39.22 2.29511 1058.1 17.7 17.5 5.7
38 3 1 -3 19.666 39.332 2.28885 138.5 2.3 2.3 5.7
39 2 0 -4 19.868 39.735 2.26655 678.1 11.3 11.2 5.7
40 4 1 0 20.175 40.349 2.23346 549.3 9.2 9.1 5.7
41 3 1 2 20.223 40.445 2.22837 1092.8 18.3 18.1 5.7
42 2 1 3 20.541 41.081 2.19533 391.3 6.5 6.5 5.7
43 4 1 -2 20.703 41.407 2.17882 294.0 4.9 4.9 5.7
44 1 1 -4 20.775 41.55 2.17163 137.2 2.3 2.3 5.7
45 3 2 0 21.085 42.169 2.14117 2058.8 34.4 34.0 5.7
46 0 1 4 21.18 42.361 2.13194 193.2 3.2 3.2 5.7
47 2 1 -4 21.446 42.892 2.10675 90.2 1.5 1.5 5.7
48 0 2 3 21.636 43.271 2.08917 634.0 10.6 10.4 5.7
49 2 2 2 21.728 43.455 2.08074 128.1 2.1 2.1 5.7
50 3 2 -2 22.053 44.105 2.05156 1031.1 17.2 17.0 5.7
51 3 0 3 22.357 44.713 2.02508 332.4 5.6 5.5 5.7
52 4 1 -3 22.712 45.424 1.99505 116.5 1.9 1.9 5.7
53 1 2 3 22.827 45.654 1.9855 73.3 1.2 1.2 5.7
54 3 1 -4 23.117 46.234 1.96194 149.9 2.5 2.5 5.7
55 5 0 0 23.377 46.754 1.94132 187.9 3.1 3.1 5.7
56 5 0 -2 23.419 46.837 1.93808 221.4 3.7 3.6 5.7
57 2 0 4 23.546 47.093 1.92815 209.2 3.5 3.4 5.7
58 1 0 -5 24.203 48.405 1.87889 130.9 2.2 2.1 5.7
59 4 1 2 24.28 48.56 1.87327 1206.8 20.2 19.8 5.7
60 1 3 0 24.347 48.695 1.86839 241.6 4.0 4.0 5.7
61 4 2 0 24.616 49.232 1.84927 718.1 12.0 11.7 5.7
62 3 2 2 24.657 49.314 1.84637 337.2 5.6 5.5 5.7
63 0 0 5 24.771 49.542 1.83841 262.2 4.4 4.3 5.7
64 5 1 -2 24.816 49.631 1.83531 1373.5 23.0 22.5 5.7
65 2 1 4 24.938 49.876 1.82687 146.5 2.4 2.4 5.7
66 1 2 -4 25.132 50.263 1.81371 1699.7 28.4 27.8 5.8
67 0 2 4 25.482 50.964 1.7904 92.2 1.5 1.5 5.8
68 1 1 -5 25.568 51.135 1.78481 174.0 2.9 2.8 5.8
69 2 2 -4 25.713 51.426 1.7754 165.0 2.8 2.7 5.8
70 2 3 0 25.758 51.517 1.77248 68.1 1.1 1.1 5.8
71 3 0 -5 25.907 51.814 1.76302 150.9 2.5 2.5 5.8
72 0 3 2 25.97 51.94 1.75903 1009.5 16.9 16.5 5.8
73 1 3 -2 26.027 52.054 1.75544 85.8 1.4 1.4 5.8
74 0 1 5 26.114 52.228 1.75 96.4 1.6 1.6 5.8
75 5 1 1 26.308 52.616 1.73801 200.9 3.4 3.3 5.8
76 4 0 3 26.352 52.704 1.73532 91.7 1.5 1.5 5.8
77 1 2 4 26.738 53.476 1.71208 60.8 1.0 1.0 5.8
78 1 3 2 26.82 53.639 1.70724 822.8 13.8 13.4 5.8
79 2 3 -2 26.987 53.974 1.69745 969.0 16.2 15.8 5.8
80 5 0 2 27.491 54.982 1.66868 159.9 2.7 2.6 5.8
81 1 1 5 27.542 55.085 1.66581 387.6 6.5 6.3 5.8
82 5 0 -4 27.602 55.203 1.66251 274.1 4.6 4.5 5.8
83 4 1 3 27.64 55.28 1.66039 100.7 1.7 1.6 5.8
84 3 2 3 27.793 55.587 1.65195 337.2 5.6 5.5 5.8
85 3 3 0 27.996 55.992 1.64096 115.9 1.9 1.9 5.8
86 4 2 2 28.223 56.446 1.62883 543.6 9.1 8.8 5.8
87 1 3 -3 28.309 56.619 1.62427 107.0 1.8 1.7 5.8
88 6 0 0 28.433 56.867 1.61777 494.7 8.3 8.0 5.8
89 2 0 5 28.543 57.085 1.61209 63.9 1.1 1.0 5.8
90 5 2 0 28.67 57.34 1.60553 800.4 13.4 13.0 5.8
91 3 3 -2 28.787 57.574 1.59956 274.4 4.6 4.4 5.8
92 2 2 4 28.817 57.634 1.59805 655.5 11.0 10.6 5.8
93 5 1 -4 28.852 57.704 1.59627 120.1 2.0 1.9 5.8
94 4 1 -5 29.292 58.584 1.57437 103.0 1.7 1.7 5.8
95 6 1 -2 29.328 58.655 1.57263 116.9 2.0 1.9 5.8
96 1 2 -5 29.388 58.777 1.56967 90.3 1.5 1.5 5.8
97 4 2 -4 29.452 58.903 1.5666 1289.4 21.5 20.8 5.8
98 6 1 0 29.661 59.322 1.55654 190.4 3.2 3.1 5.8
99 0 2 5 29.887 59.774 1.54584 153.7 2.6 2.5 5.8
100 0 0 6 30.185 60.37 1.53201 95.2 1.6 1.5 5.8
101 4 0 4 30.475 60.95 1.51881 314.9 5.3 5.1 5.8
102 1 1 -6 30.706 61.412 1.50848 282.4 4.7 4.5 5.8
103 5 0 3 30.786 61.572 1.50493 72.3 1.2 1.2 5.8
104 3 2 -5 30.894 61.788 1.5002 155.3 2.6 2.5 5.8
105 4 3 0 30.946 61.891 1.49795 179.4 3.0 2.9 5.8
106 3 3 2 30.981 61.962 1.49641 276.9 4.6 4.5 5.8
107 2 3 3 31.216 62.431 1.48628 204.0 3.4 3.3 5.8
108 4 3 -2 31.337 62.673 1.48113 94.0 1.6 1.5 5.8
109 0 1 6 31.37 62.74 1.47971 231.3 3.9 3.7 5.9
110 6 0 -4 31.494 62.988 1.47447 131.9 2.2 2.1 5.9
111 3 0 5 31.537 63.073 1.47269 103.8 1.7 1.7 5.9
112 0 3 4 31.694 63.388 1.46614 123.0 2.1 2.0 5.9
113 3 1 -6 31.824 63.647 1.46078 323.7 5.4 5.2 5.9
114 5 1 3 31.958 63.917 1.45527 85.9 1.4 1.4 5.9
115 5 1 -5 32.093 64.186 1.44982 86.1 1.4 1.4 5.9
116 5 2 -4 32.419 64.838 1.43681 152.3 2.5 2.4 5.9
117 0 4 0 32.644 65.287 1.428 790.4 13.2 12.6 5.9
118 3 1 5 32.694 65.387 1.42606 170.8 2.9 2.7 5.9
119 6 2 -2 32.864 65.728 1.41949 328.4 5.5 5.3 5.9
120 7 0 -2 33.091 66.181 1.41086 78.9 1.3 1.3 5.9
121 6 2 0 33.176 66.353 1.40763 338.4 5.7 5.4 5.9
122 2 2 5 33.276 66.553 1.40388 103.8 1.7 1.7 5.9
123 4 1 -6 33.56 67.12 1.3934 428.2 7.2 6.8 5.9
124 4 3 2 34.115 68.231 1.37339 364.8 6.1 5.8 5.9
125 7 1 -2 34.22 68.44 1.3697 184.3 3.1 2.9 5.9
126 2 2 -6 34.306 68.612 1.36669 61.0 1.0 1.0 5.9
127 1 4 -2 34.44 68.88 1.36202 237.1 4.0 3.8 5.9
128 5 3 -2 34.55 69.1 1.35822 522.6 8.7 8.3 5.9
129 7 1 0 34.864 69.728 1.34752 103.6 1.7 1.6 5.9
130 2 1 6 35.016 70.031 1.34242 120.4 2.0 1.9 5.9
131 1 0 -7 35.128 70.256 1.33867 152.9 2.6 2.4 5.9
132 1 3 -5 35.167 70.335 1.33736 64.9 1.1 1.0 5.9
133 3 2 -6 35.22 70.441 1.33562 71.5 1.2 1.1 5.9
134 2 3 -5 35.478 70.956 1.32718 177.7 3.0 2.8 5.9
135 6 0 3 35.639 71.279 1.32196 93.5 1.6 1.5 5.9
136 5 1 4 35.856 71.711 1.31504 94.9 1.6 1.5 5.9
137 7 0 -4 35.895 71.791 1.31378 78.7 1.3 1.2 5.9
138 3 2 5 36.05 72.099 1.30892 82.5 1.4 1.3 5.9
139 3 4 0 36.129 72.259 1.30642 754.6 12.6 11.9 5.9
140 2 1 -7 36.204 72.408 1.3041 186.1 3.1 2.9 5.9
141 4 1 5 36.248 72.497 1.30272 281.0 4.7 4.4 5.9
142 2 4 2 36.587 73.174 1.29232 130.7 2.2 2.1 6.0
143 1 3 5 36.828 73.656 1.28505 236.0 3.9 3.7 6.0
144 3 1 -7 36.934 73.868 1.28189 98.9 1.7 1.6 6.0
145 0 1 7 37.005 74.011 1.27977 155.1 2.6 2.4 6.0
146 4 0 -7 37.327 74.654 1.27033 80.0 1.3 1.3 6.0
147 3 1 6 37.896 75.791 1.25407 75.5 1.3 1.2 6.0
148 7 2 0 38.134 76.269 1.2474 104.0 1.7 1.6 6.0
149 6 3 -2 38.374 76.749 1.24079 80.9 1.4 1.3 6.0
150 8 0 -2 38.471 76.941 1.23817 120.8 2.0 1.9 6.0
151 1 1 7 38.52 77.04 1.23683 162.5 2.7 2.5 6.0
152 6 3 0 38.667 77.335 1.23284 90.5 1.5 1.4 6.0
153 6 2 -5 38.782 77.563 1.22978 94.9 1.6 1.5 6.0
154 7 1 2 38.847 77.694 1.22804 139.5 2.3 2.2 6.0
155 4 4 -2 39.101 78.201 1.22134 417.0 7.0 6.5 6.0
156 6 1 -6 39.142 78.284 1.22025 421.4 7.0 6.6 6.0
157 5 2 -6 39.249 78.497 1.21747 72.4 1.2 1.1 6.0
158 1 2 -7 39.456 78.911 1.21212 304.4 5.1 4.7 6.0
159 8 1 -2 39.536 79.072 1.21006 297.9 5.0 4.6 6.0
160 2 4 -4 39.609 79.218 1.2082 409.2 6.8 6.4 6.0
161 2 0 7 39.691 79.381 1.20612 192.1 3.2 3.0 6.0
162 6 2 3 39.947 79.893 1.19968 166.8 2.8 2.6 6.0
163 7 2 -4 40.193 80.386 1.19355 628.2 10.5 9.8 6.0
164 1 4 4 40.434 80.868 1.18766 242.8 4.1 3.8 6.1
165 3 3 -6 40.602 81.203 1.1836 309.2 5.2 4.8 6.1
166 8 0 -4 40.814 81.627 1.17852 195.8 3.3 3.0 6.1
167 2 0 -8 41.006 82.012 1.17397 71.8 1.2 1.1 6.1
168 3 4 3 41.303 82.605 1.16703 67.0 1.1 1.0 6.1
169 3 3 5 41.395 82.789 1.1649 77.8 1.3 1.2 6.1
170 4 2 -7 41.578 83.156 1.16069 115.2 1.9 1.8 6.1
171 1 2 7 41.694 83.387 1.15806 142.2 2.4 2.2 6.1
172 8 1 -4 41.864 83.728 1.15421 131.7 2.2 2.0 6.1
173 7 2 2 42.015 84.029 1.15084 216.6 3.6 3.3 6.1
174 5 4 -2 42.069 84.137 1.14964 145.6 2.4 2.2 6.1
175 8 1 1 42.147 84.294 1.1479 153.2 2.6 2.4 6.1
176 4 3 -6 42.193 84.385 1.14689 238.5 4.0 3.7 6.1
177 4 4 -4 42.705 85.409 1.13574 112.3 1.9 1.7 6.1
178 1 5 0 42.759 85.518 1.13457 73.1 1.2 1.1 6.1
179 4 0 -8 42.82 85.639 1.13327 110.7 1.9 1.7 6.1
180 7 1 -6 42.924 85.848 1.13105 119.7 2.0 1.8 6.1
181 0 4 5 43.08 86.161 1.12775 99.5 1.7 1.5 6.1
182 5 2 5 43.546 87.092 1.11807 166.1 2.8 2.5 6.1
183 8 0 2 43.58 87.159 1.11738 61.0 1.0 0.9 6.2
184 8 2 0 43.611 87.223 1.11673 267.7 4.5 4.1 6.2
185 3 1 7 43.672 87.344 1.11549 89.3 1.5 1.4 6.2
186 2 2 7 43.888 87.777 1.1111 127.5 2.1 1.9 6.2
187 3 4 -5 43.96 87.92 1.10966 71.0 1.2 1.1 6.2
188 0 5 2 44.01 88.02 1.10866 130.2 2.2 2.0 6.2
189 5 3 4 44.346 88.691 1.102 73.7 1.2 1.1 6.2
190 1 5 2 44.687 89.373 1.09535 323.6 5.4 4.9 6.2
191 4 3 5 44.719 89.439 1.09471 182.7 3.1 2.8 6.2
192 2 5 -2 44.822 89.643 1.09275 308.4 5.2 4.7 6.2
193 7 0 4 44.891 89.782 1.09142 76.9 1.3 1.2 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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