Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
PARSONSITE
2, syn, f-parsonsite
Pb(2)[UO(2)[PO(4)](2)
Triclinic P 1(-) Z = 2
R =0.067 NR =3666
13 .5 .1905
Ref.Str.:
Locock A.J., Burns P.C., Flynn Th.M. (2005)
* Amer. Mineral., 90, 240-246
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.8432 alpha = 101.42
b = 10.4105 beta = 98.35
c = 6.6718 gamma = 86.26
Unit cell volume (cub. angs.) = 460.64
Molar volume ( cub.cm/mol.) = 138.73
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6163 0.8401 0.114 0.0 U = 1.00
2 0.301 0.545 0.2703 0.0 Pb = 1.00
3 0.0457 0.7735 0.7226 0.0 Pb = 1.00
4 0.5348 0.8178 0.6329 0.0 P = 1.00
5 0.8156 0.549 0.2778 0.0 P = 1.00
6 0.9827 0.6338 0.4061 0.0 O = 1.00
7 0.3352 0.4808 0.5929 0.0 O = 1.00
8 0.3673 0.7895 0.0765 0.0 O = 1.00
9 0.6695 0.7313 0.7665 0.0 O = 1.00
10 0.7018 0.6219 0.1158 0.0 O = 1.00
11 0.3402 0.7547 0.5399 0.0 O = 1.00
12 0.5007 0.0597 0.1997 0.0 O = 1.00
13 0.8608 0.8934 0.1421 0.0 O = 1.00
14 0.6434 0.8524 0.4693 0.0 O = 1.00
15 0.9147 0.4231 0.1644 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6163 0.8401 0.114
2 2 0.301 0.545 0.2703
3 3 0.0457 0.7735 0.7226
4 4 0.5348 0.8178 0.6329
5 5 0.8156 0.549 0.2778
6 6 0.9827 0.6338 0.4061
7 7 0.3352 0.4808 0.5929
8 8 0.3673 0.7895 0.0765
9 9 0.6695 0.7313 0.7665
10 10 0.7018 0.6219 0.1158
11 11 0.3402 0.7547 0.5399
12 12 0.5007 0.0597 0.1997
13 13 0.8608 0.8934 0.1421
14 14 0.6434 0.8524 0.4693
15 15 0.9147 0.4231 0.1644
16 1 0.3837 0.1599 0.886
17 2 0.699 0.455 0.7297
18 3 0.9543 0.2265 0.2774
19 4 0.4652 0.1822 0.3671
20 5 0.1844 0.451 0.7222
21 6 0.0173 0.3662 0.5939
22 7 0.6648 0.5192 0.4071
23 8 0.6327 0.2105 0.9235
24 9 0.3305 0.2687 0.2335
25 10 0.2982 0.3781 0.8842
26 11 0.6598 0.2453 0.4601
27 12 0.4993 0.9403 0.8003
28 13 0.1392 0.1066 0.8579
29 14 0.3566 0.1476 0.5307
30 15 0.0853 0.5769 0.8356
X-ray density (g/cm cub.) = 6.3
MU (1/cm) = 1906.189 Mass attenuation coefficient (cm**2/g) = 302.479
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 2.88 7
1.7845 8
2.4377 9
2.3104 10
2.3574 12
1.7695 13
2.3292 14
2.5256 12
2 Pb 3.144 8
2.5296 6
2.3531 7
2.5406 11
2.939 15
2.5403 7
2.8344 9
2.8059 10
3.1265 15
3 Pb 3.144 5
2.3155 6
2.9715 8
2.7062 9
2.4805 11
2.3044 15
4 P 2.232 4
1.5576 9
1.5174 11
1.5164 14
1.5515 12
5 P 2.232 4
1.5388 6
1.5343 10
1.5462 15
1.5204 7
6 O 3.264 8
3.0531 7
2.5133 10
2.7728 11
3.1565 14
2.4785 15
3.2553 6
2.5498 7
3.0148 15
7 O 3.264 7
3.0531 6
2.9449 11
2.5498 6
2.8124 7
2.9184 9
2.4465 10
2.547 15
8 O 3.264 7
3.0828 9
2.7999 10
3.2161 11
2.9365 12
2.9851 14
2.9137 12
3.0747 15
9 O 3.264 8
3.0828 8
2.7651 10
2.5511 11
2.9159 13
2.5319 14
2.9184 7
2.386 12
3.1952 15
10 O 3.264 7
2.5133 6
2.7999 8
2.7651 9
3.0582 13
3.064 14
2.4993 15
2.4465 7
11 O 3.264 6
2.7728 6
2.9449 7
3.2161 8
2.5511 9
2.5119 14
2.5165 12
12 O 3.264 9
2.9365 8
2.945 13
3.0982 14
2.9137 8
2.386 9
2.5165 11
2.7071 12
3.1944 13
2.5301 14
13 O 3.264 5
2.9159 9
3.0582 10
2.945 12
2.925 14
3.1944 12
14 O 3.264 8
3.1565 6
2.9851 8
2.5319 9
3.064 10
2.5119 11
3.0982 12
2.925 13
2.5301 12
15 O 3.264 6
2.4785 6
2.4993 10
3.0148 6
2.547 7
3.0747 8
3.1952 9
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 1 0 5.032 10.064 0.049 256.96 2 62.6 949.2
2 1 0 0 7.597 15.194 0.074 111.48 2 70.0 514.3
3 0 0 1 7.934 15.869 0.077 102.01 2 55.9 300.2
4 0 -1 1 8.554 17.109 0.083 87.45 2 117.0 1129.0
5 1 1 0 8.968 17.936 0.087 79.37 2 86.0 553.4
6 -1 1 0 9.287 18.573 0.09 73.87 2 4.7 1.5
7 0 2 0 10.104 20.208 0.098 62.07 2 96.8 548.5
8 0 1 1 10.202 20.405 0.099 60.84 2 70.7 286.8
9 -1 0 1 10.239 20.478 0.099 60.39 2 106.8 649.6
10 -1 -1 1 10.593 21.187 0.103 56.27 2 87.4 405.4
11 0 -2 1 11.622 23.244 0.113 46.39 2 18.6 15.1
12 1 0 1 11.75 23.499 0.114 45.35 2 83.1 294.9
13 -1 1 1 12.218 24.435 0.118 41.78 2 312.5 3845.8
14 1 -1 1 12.304 24.607 0.119 41.17 2 377.1 5517.5
15 1 2 0 12.455 24.909 0.121 40.13 2 245.9 2286.5
16 -1 2 0 12.92 25.841 0.125 37.14 2 69.8 170.6
17 -1 -2 1 13.102 26.203 0.127 36.07 2 220.5 1652.2
18 1 1 1 13.299 26.598 0.129 34.95 2 175.3 1012.1
19 0 2 1 14.067 28.135 0.136 31.02 2 82.8 200.4
20 1 -2 1 14.74 29.48 0.142 28.08 2 41.0 44.4
21 0 3 0 15.257 30.514 0.147 26.08 2 372.0 3401.9
22 2 0 0 15.331 30.663 0.148 25.81 2 24.8 15.0
23 -1 2 1 15.715 31.43 0.151 24.47 2 195.8 884.2
24 0 -3 1 15.832 31.664 0.153 24.08 2 358.9 2923.7
25 0 -1 2 15.858 31.716 0.153 24.0 2 58.5 77.4
26 2 1 0 15.987 31.975 0.154 23.58 2 365.5 2968.3
27 0 0 2 16.026 32.053 0.154 23.46 2 271.2 1625.6
28 -2 0 1 16.334 32.668 0.157 22.51 2 109.1 252.4
29 -2 1 0 16.361 32.721 0.157 22.43 2 20.3 8.7
30 1 2 1 16.403 32.807 0.158 22.31 2 204.0 875.0
31 -2 -1 1 16.474 32.949 0.159 22.1 2 367.2 2808.0
32 -1 -1 2 16.577 33.155 0.159 21.8 2 67.6 94.0
33 -1 0 2 16.83 33.659 0.162 21.1 2 238.9 1134.6
34 1 3 0 16.859 33.718 0.162 21.02 2 131.2 341.0
35 -1 -3 1 16.885 33.769 0.162 20.95 2 24.9 12.2
36 0 -2 2 17.307 34.614 0.166 19.85 2 245.9 1131.5
37 -1 3 0 17.391 34.782 0.167 19.64 2 107.9 215.4
38 -2 1 1 17.771 35.541 0.171 18.74 2 115.5 235.8
39 0 1 2 17.772 35.543 0.171 18.73 2 336.4 1998.2
40 -1 -2 2 17.89 35.78 0.172 18.46 2 283.1 1394.5
41 -2 -2 1 18.16 36.32 0.174 17.87 2 33.8 19.2
42 2 2 0 18.166 36.332 0.174 17.85 2 24.1 9.8
43 2 0 1 18.323 36.647 0.176 17.52 2 95.9 151.8
44 1 -3 1 18.383 36.766 0.176 17.39 2 24.1 9.5
45 -1 1 2 18.591 37.182 0.178 16.97 2 102.8 169.1
46 0 3 1 18.641 37.283 0.179 16.87 2 209.3 696.5
47 1 -1 2 18.709 37.418 0.179 16.73 2 122.8 237.9
48 1 0 2 18.773 37.546 0.18 16.61 2 6.0 0.6
49 2 -1 1 18.78 37.561 0.18 16.59 2 62.8 61.7
50 -2 2 0 18.829 37.659 0.18 16.5 2 427.0 2836.0
51 2 1 1 19.316 38.631 0.185 15.6 2 217.1 692.8
52 -1 3 1 20.031 40.062 0.191 14.39 2 164.7 367.7
53 1 -2 2 20.055 40.109 0.192 14.35 2 208.2 586.1
54 0 -3 2 20.067 40.133 0.192 14.33 2 198.4 531.7
55 1 1 2 20.236 40.472 0.193 14.06 2 170.1 383.4
56 1 3 1 20.441 40.882 0.195 13.75 2 119.2 184.3
57 -2 2 1 20.496 40.992 0.196 13.67 2 30.1 11.7
58 -1 -3 2 20.506 41.013 0.196 13.65 2 127.8 210.1
59 -2 -1 2 20.539 41.078 0.196 13.61 2 181.8 423.8
60 0 4 0 20.54 41.08 0.196 13.6 2 72.8 68.0
61 0 -4 1 20.589 41.178 0.197 13.53 2 28.8 10.6
62 2 -2 1 20.605 41.209 0.197 13.51 2 5.0 0.3
63 0 2 2 20.747 41.495 0.198 13.3 2 181.8 414.6
64 -2 0 2 20.825 41.649 0.199 13.19 2 172.3 369.1
65 -2 -3 1 21.07 42.139 0.201 12.85 2 21.8 5.7
66 -1 -4 1 21.365 42.73 0.204 12.46 2 0.4 0.0
67 2 3 0 21.467 42.934 0.205 12.32 2 93.6 101.7
68 -1 2 2 21.543 43.087 0.205 12.23 2 48.0 26.6
69 -2 -2 2 21.572 43.144 0.206 12.19 2 45.2 23.5
70 2 2 1 21.588 43.176 0.206 12.17 2 165.8 315.2
71 1 4 0 21.732 43.464 0.207 11.99 2 86.4 84.4
72 -1 4 0 22.306 44.613 0.212 11.3 2 188.2 377.4
73 -2 3 0 22.332 44.664 0.212 11.28 2 116.1 143.2
74 -2 1 2 22.388 44.776 0.213 11.21 2 23.5 5.8
75 1 -3 2 22.6 45.2 0.215 10.98 2 79.0 64.6
76 1 -4 1 22.751 45.503 0.216 10.81 2 265.3 717.4
77 1 2 2 22.874 45.749 0.217 10.68 2 112.6 127.6
78 3 0 0 23.366 46.732 0.222 10.18 2 300.2 864.7
79 2 -3 1 23.534 47.068 0.223 10.02 2 42.8 17.3
80 0 4 1 23.629 47.259 0.224 9.92 2 244.2 557.6
81 -3 0 1 23.698 47.397 0.225 9.86 2 232.5 502.1
82 -3 -1 1 23.734 47.468 0.225 9.82 2 7.5 0.5
83 0 -4 2 23.76 47.52 0.225 9.8 2 63.6 37.4
84 3 1 0 23.763 47.526 0.225 9.8 2 91.8 77.8
85 -2 -3 2 23.786 47.571 0.225 9.78 2 11.2 1.2
86 0 -1 3 23.991 47.982 0.227 9.59 2 302.2 825.1
87 2 0 2 24.034 48.067 0.228 9.55 2 168.0 253.9
88 2 -1 2 24.048 48.096 0.228 9.54 2 210.7 399.0
89 -1 -4 2 24.079 48.158 0.228 9.51 2 63.7 36.4
90 -1 -1 3 24.13 48.259 0.229 9.46 2 166.6 247.6
91 -2 3 1 24.154 48.308 0.229 9.44 2 55.5 27.4
92 -3 1 0 24.166 48.333 0.229 9.43 2 43.3 16.7
93 0 0 3 24.464 48.928 0.231 9.17 2 12.7 1.4
94 0 3 2 24.594 49.188 0.233 9.06 2 38.1 12.4
95 -1 0 3 24.666 49.333 0.233 9.0 2 79.3 53.3
96 0 -2 3 24.694 49.388 0.234 8.98 2 199.2 335.8
97 -1 -2 3 24.764 49.528 0.234 8.92 2 63.5 33.9
98 -3 1 1 24.84 49.68 0.235 8.86 2 131.8 145.0
99 -1 4 1 24.856 49.711 0.235 8.85 2 232.6 451.1
100 2 3 1 24.859 49.718 0.235 8.84 2 4.8 0.2
101 -2 -4 1 24.86 49.719 0.235 8.84 2 402.7 1351.3
102 -3 -2 1 24.943 49.886 0.236 8.78 2 52.3 22.6
103 -2 2 2 25.04 50.08 0.237 8.7 2 192.6 304.2
104 1 4 1 25.073 50.146 0.237 8.67 2 186.2 283.4
105 2 1 2 25.184 50.368 0.238 8.59 2 174.8 247.2
106 2 -2 2 25.226 50.452 0.238 8.55 2 260.9 548.7
107 3 2 0 25.315 50.631 0.239 8.48 2 129.5 134.1
108 -1 3 2 25.359 50.718 0.239 8.45 2 193.2 297.2
109 2 4 0 25.552 51.104 0.241 8.31 2 67.2 35.4
110 0 -5 1 25.717 51.433 0.243 8.19 2 88.3 60.2
111 3 0 1 25.926 51.852 0.244 8.04 2 266.3 537.3
112 0 5 0 26.013 52.026 0.245 7.97 2 131.8 130.6
113 0 1 3 26.065 52.13 0.246 7.94 2 109.8 90.2
114 1 -4 2 26.073 52.145 0.246 7.93 2 382.2 1092.3
115 -3 2 0 26.082 52.163 0.246 7.93 2 6.3 0.3
116 -1 -5 1 26.312 52.623 0.248 7.77 2 3.7 0.1
117 -1 1 3 26.321 52.642 0.248 7.76 2 95.0 66.1
118 3 -1 1 26.338 52.676 0.248 7.75 2 100.7 74.1
119 1 3 2 26.418 52.835 0.249 7.7 2 144.0 150.4
120 1 -1 3 26.456 52.911 0.249 7.67 2 135.9 133.7
121 0 -3 3 26.503 53.005 0.249 7.64 2 175.1 221.0
122 -1 -3 3 26.507 53.014 0.249 7.64 2 190.0 260.0
123 -3 -1 2 26.546 53.092 0.25 7.62 2 160.5 185.0
124 -2 4 0 26.564 53.127 0.25 7.6 2 102.2 74.8
125 3 1 1 26.627 53.253 0.251 7.56 2 43.2 13.3
126 1 0 3 26.835 53.67 0.252 7.43 2 278.0 541.4
127 -2 -1 3 26.841 53.683 0.252 7.43 2 141.2 139.5
128 -3 0 2 26.843 53.687 0.252 7.42 2 200.4 281.1
129 1 5 0 26.955 53.91 0.253 7.35 2 292.1 591.3
130 -2 -4 2 26.959 53.919 0.253 7.35 2 89.7 55.8
131 -3 2 1 27.048 54.097 0.254 7.3 2 94.8 61.8
132 1 -2 3 27.173 54.346 0.255 7.22 2 20.3 2.8
133 -3 -3 1 27.21 54.42 0.256 7.2 2 41.7 11.8
134 2 -4 1 27.304 54.607 0.256 7.14 2 61.3 25.3
135 -3 -2 2 27.342 54.684 0.257 7.12 2 126.6 107.5
136 -2 -2 3 27.369 54.738 0.257 7.1 2 144.7 140.1
137 2 2 2 27.391 54.782 0.257 7.09 2 247.8 410.3
138 -2 0 3 27.401 54.801 0.257 7.09 2 290.2 562.2
139 2 -3 2 27.457 54.914 0.258 7.05 2 4.6 0.1
140 -1 5 0 27.568 55.136 0.259 6.99 2 195.4 251.4
141 1 -5 1 27.629 55.257 0.259 6.95 2 30.8 6.2
142 3 -2 1 27.827 55.655 0.261 6.84 2 20.3 2.7
143 3 3 0 27.882 55.764 0.261 6.81 2 323.0 669.6
144 0 -5 2 28.133 56.267 0.264 6.67 2 111.5 78.3
145 -3 1 2 28.21 56.421 0.264 6.63 2 175.1 191.6
146 1 1 3 28.28 56.561 0.265 6.59 2 107.5 71.8
147 -1 -5 2 28.357 56.713 0.266 6.55 2 366.3 829.1
148 3 2 1 28.382 56.764 0.266 6.54 2 198.3 242.5
149 -2 4 1 28.499 56.997 0.267 6.48 2 92.0 51.7
150 -2 3 2 28.563 57.126 0.267 6.45 2 350.8 748.0
151 0 2 3 28.659 57.318 0.268 6.4 2 211.2 269.0
152 2 4 1 28.893 57.787 0.27 6.28 2 245.0 355.5
153 1 -3 3 28.931 57.863 0.27 6.26 2 128.1 96.8
154 -2 -3 3 28.943 57.886 0.271 6.26 2 272.8 439.0
155 -3 3 0 28.955 57.91 0.271 6.25 2 21.7 2.8
156 -1 2 3 28.959 57.917 0.271 6.25 2 280.8 464.5
157 0 5 1 28.965 57.93 0.271 6.25 2 40.3 9.6
158 -2 1 3 29.004 58.008 0.271 6.23 2 189.3 210.4
159 0 4 2 29.086 58.172 0.272 6.19 2 286.2 477.9
160 -3 -3 2 29.17 58.341 0.272 6.15 2 328.4 625.1
161 -1 -4 3 29.22 58.44 0.273 6.13 2 3.4 0.1
162 0 -4 3 29.275 58.549 0.273 6.1 2 157.2 142.1
163 -2 -5 1 29.308 58.616 0.274 6.08 2 77.6 34.5
164 -1 4 2 29.828 59.656 0.278 5.85 2 30.8 5.2
165 -1 5 1 30.094 60.188 0.28 5.73 2 204.5 226.0
166 -3 3 1 30.165 60.33 0.281 5.7 2 252.3 342.1
167 1 5 1 30.171 60.341 0.281 5.7 2 4.5 0.1
168 2 5 0 30.234 60.469 0.281 5.67 2 65.6 23.0
169 1 -5 2 30.266 60.533 0.282 5.66 2 125.3 83.7
170 3 -3 1 30.288 60.576 0.282 5.65 2 373.4 742.7
171 -3 -4 1 30.376 60.751 0.283 5.62 2 26.1 3.6
172 2 3 2 30.503 61.005 0.284 5.56 2 236.4 293.0
173 -3 2 2 30.553 61.105 0.284 5.54 2 179.7 168.8
174 2 -4 2 30.589 61.178 0.284 5.53 2 163.1 138.6
175 1 4 2 30.669 61.338 0.285 5.5 2 50.1 13.0
176 1 2 3 30.694 61.387 0.285 5.49 2 34.7 6.2
177 3 0 2 30.861 61.722 0.287 5.42 2 50.0 12.8
178 -2 -5 2 30.904 61.809 0.287 5.4 2 57.0 16.6
179 3 -1 2 30.93 61.86 0.287 5.39 2 165.9 140.0
180 3 3 1 31.076 62.152 0.289 5.34 2 28.5 4.1
181 2 -1 3 31.085 62.171 0.289 5.33 2 16.4 1.4
182 0 -6 1 31.197 62.393 0.29 5.29 2 350.8 614.0
183 3 4 0 31.303 62.606 0.29 5.25 2 159.2 125.5
184 -2 5 0 31.369 62.738 0.291 5.23 2 284.5 399.1
185 2 0 3 31.372 62.744 0.291 5.23 2 250.1 308.3
186 -2 -4 3 31.464 62.928 0.292 5.19 2 258.3 326.6
187 -2 2 3 31.551 63.101 0.292 5.16 2 134.9 88.6
188 1 -4 3 31.621 63.242 0.293 5.14 2 79.4 30.5
189 -3 -1 3 31.665 63.331 0.293 5.12 2 188.8 172.2
190 -1 -6 1 31.668 63.335 0.293 5.12 2 50.5 12.3
191 2 -5 1 31.742 63.484 0.294 5.1 2 260.2 325.1
192 0 6 0 31.755 63.511 0.294 5.09 2 29.5 4.2
193 3 1 2 31.785 63.571 0.294 5.08 2 152.3 111.1
194 2 -2 3 31.791 63.581 0.294 5.08 2 19.0 1.7
195 -4 -1 1 31.854 63.709 0.295 5.06 2 68.6 22.4
196 -4 0 1 31.881 63.761 0.295 5.05 2 97.5 45.3
197 -3 -4 2 31.92 63.84 0.296 5.03 2 45.5 9.8
198 4 0 0 31.925 63.849 0.296 5.03 2 61.2 17.7
199 3 -2 2 31.988 63.977 0.296 5.01 2 37.4 6.6
200 -3 -2 3 32.087 64.174 0.297 4.98 2 14.0 0.9
201 0 3 3 32.098 64.196 0.297 4.97 2 161.4 122.1
202 4 1 0 32.193 64.385 0.298 4.94 2 85.2 33.8
203 -3 0 3 32.226 64.452 0.298 4.93 2 70.5 23.1
204 -1 3 3 32.434 64.867 0.3 4.86 2 38.0 6.6
205 1 6 0 32.534 65.069 0.301 4.83 2 222.9 226.1
206 -4 1 0 32.634 65.268 0.301 4.8 2 275.7 343.7
207 2 1 3 32.636 65.272 0.301 4.8 2 145.7 95.9
208 -3 4 0 32.636 65.273 0.301 4.8 2 23.3 2.5
209 -1 -1 4 32.642 65.285 0.302 4.8 2 274.8 341.3
210 -1 -5 3 32.76 65.519 0.302 4.76 2 109.7 53.9
211 -2 4 2 32.8 65.6 0.303 4.75 2 129.4 74.9
212 -4 -2 1 32.804 65.607 0.303 4.74 2 422.9 800.0
213 0 -1 4 32.84 65.68 0.303 4.73 2 145.8 94.9
214 0 -5 3 32.866 65.731 0.303 4.73 2 179.2 143.0
215 -1 -2 4 32.876 65.753 0.303 4.72 2 11.4 0.6
216 -4 1 1 32.882 65.763 0.303 4.72 2 283.1 356.5
217 1 -6 1 32.956 65.913 0.304 4.7 2 0.5 0.0
218 0 -6 2 33.068 66.137 0.305 4.66 2 73.8 23.9
219 0 -2 4 33.128 66.255 0.305 4.65 2 89.5 35.1
220 -1 6 0 33.191 66.383 0.306 4.63 2 147.8 95.3
221 -1 -6 2 33.217 66.435 0.306 4.62 2 24.1 2.5
222 -1 0 4 33.374 66.749 0.308 4.57 2 180.3 140.1
223 -2 5 1 33.415 66.83 0.308 4.56 2 146.6 92.4
224 4 2 0 33.426 66.851 0.308 4.56 2 49.0 10.3
225 2 -3 3 33.453 66.906 0.308 4.55 2 256.8 282.8
226 -3 -3 3 33.471 66.941 0.308 4.55 2 92.3 36.5
227 0 0 4 33.515 67.031 0.309 4.53 2 53.1 12.1
228 2 5 1 33.56 67.119 0.309 4.52 2 292.1 363.5
229 3 -4 1 33.598 67.197 0.309 4.51 2 35.7 5.4
230 3 2 2 33.658 67.316 0.31 4.49 2 18.2 1.4
231 -3 1 3 33.743 67.486 0.311 4.47 2 90.1 34.2
232 -3 3 2 33.754 67.509 0.311 4.47 2 10.9 0.5
233 -4 -1 2 33.916 67.831 0.312 4.42 2 35.6 5.3
234 1 3 3 33.959 67.917 0.312 4.41 2 232.0 223.7
235 3 -3 2 33.986 67.972 0.312 4.4 2 113.0 53.0
236 -3 4 1 34.055 68.111 0.313 4.38 2 239.7 237.4
237 -1 -3 4 34.066 68.132 0.313 4.38 2 139.8 80.7
238 0 5 2 34.13 68.261 0.314 4.36 2 192.3 152.2
239 -4 0 2 34.227 68.453 0.314 4.34 2 61.8 15.6
240 -4 2 0 34.289 68.577 0.315 4.32 2 38.2 5.9
241 -3 -5 1 34.309 68.618 0.315 4.32 2 71.4 20.7
242 -2 -6 1 34.32 68.64 0.315 4.31 2 105.7 45.4
243 4 0 1 34.353 68.707 0.315 4.31 2 143.6 83.7
244 0 -3 4 34.367 68.733 0.316 4.3 2 92.6 34.8
245 2 4 2 34.388 68.777 0.316 4.3 2 100.7 41.1
246 2 -5 2 34.493 68.985 0.317 4.27 2 178.7 128.6
247 -4 -2 2 34.553 69.106 0.317 4.25 2 92.7 34.5
248 3 4 1 34.591 69.182 0.317 4.24 2 34.4 4.7
249 -2 -1 4 34.619 69.239 0.318 4.24 2 144.9 83.8
250 0 6 1 34.682 69.364 0.318 4.22 2 162.3 104.9
251 -4 -3 1 34.687 69.374 0.318 4.22 2 25.1 2.5
252 4 -1 1 34.755 69.511 0.319 4.2 2 204.1 165.0
253 -2 -2 4 34.794 69.587 0.319 4.19 2 199.7 157.7
254 -4 2 1 34.814 69.627 0.319 4.19 2 95.8 36.3
255 2 2 3 34.821 69.641 0.319 4.19 2 113.1 50.5
256 -2 -5 3 34.822 69.644 0.319 4.19 2 4.5 0.1
257 -1 5 2 34.864 69.729 0.32 4.18 2 126.5 63.1
258 4 1 1 34.895 69.789 0.32 4.17 2 62.7 15.5
259 -2 3 3 34.932 69.864 0.32 4.16 2 104.1 42.5
260 -1 1 4 35.042 70.084 0.321 4.13 2 202.4 159.7
261 1 -6 2 35.08 70.159 0.321 4.13 2 34.6 4.6
262 0 1 4 35.127 70.254 0.322 4.11 2 174.4 118.0
263 1 -5 3 35.13 70.261 0.322 4.11 2 134.8 70.5
264 1 -1 4 35.194 70.388 0.322 4.1 2 136.7 72.2
265 -2 0 4 35.384 70.769 0.324 4.05 2 104.1 41.4
266 2 6 0 35.453 70.906 0.324 4.04 2 64.5 15.8
267 3 5 0 35.461 70.923 0.324 4.04 2 187.3 133.5
268 -4 1 2 35.474 70.949 0.324 4.03 2 98.1 36.6
269 -3 -5 2 35.484 70.968 0.324 4.03 2 25.3 2.4
270 -2 -6 2 35.513 71.027 0.325 4.03 2 48.7 9.0
271 1 -2 4 35.525 71.05 0.325 4.02 2 218.9 181.7
272 1 5 2 35.535 71.071 0.325 4.02 2 14.4 0.8
273 4 3 0 35.573 71.147 0.325 4.01 2 102.7 39.9
274 1 6 1 35.727 71.454 0.326 3.98 2 19.9 1.5
275 -3 -4 3 35.762 71.523 0.327 3.97 2 222.9 186.0
276 -1 6 1 35.762 71.524 0.327 3.97 2 147.6 81.6
277 1 0 4 35.796 71.591 0.327 3.96 2 132.3 65.4
278 -2 -3 4 35.901 71.801 0.328 3.94 2 68.0 17.2
279 2 -4 3 36.007 72.014 0.329 3.92 2 64.5 15.4
280 4 -2 1 36.086 72.173 0.329 3.9 2 30.0 3.3
281 -4 -3 2 36.116 72.232 0.329 3.89 2 46.6 8.0
282 -3 2 3 36.158 72.316 0.33 3.89 2 55.9 11.4
283 -1 -4 4 36.167 72.333 0.33 3.88 2 187.4 128.5
284 0 4 3 36.276 72.553 0.331 3.86 2 104.9 40.0
285 4 2 1 36.36 72.721 0.331 3.84 2 258.5 242.1
286 3 3 2 36.408 72.816 0.332 3.84 2 47.9 8.3
287 0 -4 4 36.512 73.023 0.333 3.81 2 273.7 269.3
288 -1 4 3 36.645 73.29 0.334 3.79 2 89.8 28.8
289 -2 6 0 36.711 73.423 0.334 3.77 2 111.4 44.1
290 1 -3 4 36.779 73.558 0.335 3.76 2 234.8 195.5
291 2 -6 1 36.782 73.564 0.335 3.76 2 115.5 47.3
292 -4 3 0 36.83 73.66 0.335 3.75 2 104.7 38.7
293 3 -4 2 36.852 73.703 0.335 3.75 2 170.0 102.1
294 -1 -6 3 37.031 74.062 0.337 3.71 2 177.8 110.6
295 -3 5 0 37.031 74.063 0.337 3.71 2 60.8 12.9
296 -2 1 4 37.063 74.126 0.337 3.71 2 129.2 58.4
297 0 -7 1 37.09 74.181 0.337 3.7 2 144.2 72.6
298 0 -6 3 37.183 74.366 0.338 3.69 2 260.7 236.1
299 1 1 4 37.312 74.624 0.339 3.66 2 169.1 98.7
300 -4 -4 1 37.442 74.885 0.34 3.64 2 28.9 2.9
301 3 -1 3 37.444 74.888 0.34 3.64 2 149.8 77.0
302 -1 -7 1 37.473 74.947 0.34 3.63 2 18.8 1.2
303 -1 2 4 37.591 75.182 0.341 3.61 2 162.9 90.3
304 -4 3 1 37.614 75.228 0.341 3.61 2 88.9 26.9
305 -4 2 2 37.62 75.239 0.341 3.61 2 208.5 147.8
306 0 2 4 37.622 75.244 0.341 3.61 2 28.6 2.8
307 3 0 3 37.655 75.31 0.341 3.6 2 40.6 5.6
308 3 -5 1 37.67 75.339 0.342 3.6 2 60.8 12.6
309 -2 5 2 37.683 75.367 0.342 3.6 2 20.8 1.5
310 -3 4 2 37.728 75.457 0.342 3.59 2 54.9 10.2
311 2 3 3 37.859 75.718 0.343 3.57 2 113.8 43.5
312 0 7 0 37.88 75.76 0.343 3.56 2 36.4 4.5
313 -2 -4 4 37.907 75.814 0.343 3.56 2 8.4 0.2
314 1 4 3 37.991 75.982 0.344 3.55 2 110.1 40.5
315 3 -2 3 38.143 76.287 0.345 3.52 2 172.4 98.6
316 -4 -1 3 38.189 76.378 0.346 3.51 2 308.6 315.3
317 4 -3 1 38.308 76.615 0.347 3.49 2 79.5 20.8
318 -4 -2 3 38.526 77.052 0.348 3.46 2 173.5 98.2
319 1 7 0 38.551 77.102 0.348 3.46 2 154.0 77.3
320 0 -7 2 38.557 77.114 0.348 3.46 2 13.0 0.6
321 -4 -4 2 38.56 77.12 0.348 3.45 2 61.3 12.2
322 4 4 0 38.575 77.15 0.349 3.45 2 91.1 27.0
323 -3 -1 4 38.618 77.236 0.349 3.45 2 78.0 19.8
324 -1 -7 2 38.646 77.292 0.349 3.44 2 4.5 0.1
325 -3 5 1 38.65 77.3 0.349 3.44 2 128.3 53.4
326 4 3 1 38.71 77.42 0.35 3.43 2 218.0 153.8
327 -3 -2 4 38.734 77.468 0.35 3.43 2 218.0 153.6
328 -4 0 3 38.757 77.514 0.35 3.43 2 92.4 27.5
329 3 1 3 38.772 77.545 0.35 3.42 2 246.2 195.6
330 1 -7 1 38.775 77.55 0.35 3.42 2 6.3 0.1
331 2 6 1 38.828 77.656 0.35 3.41 2 158.7 81.1
332 3 5 1 38.854 77.709 0.351 3.41 2 125.1 50.3
333 -2 6 1 38.896 77.792 0.351 3.4 2 202.3 131.4
334 -3 -5 3 38.898 77.796 0.351 3.4 2 69.0 15.3
335 1 -4 4 38.922 77.844 0.351 3.4 2 84.3 22.8
336 -2 -6 3 38.945 77.889 0.351 3.4 2 138.9 61.8
337 -3 -6 1 38.945 77.89 0.351 3.4 2 213.8 146.4
338 4 0 2 38.959 77.917 0.351 3.4 2 153.2 75.1
339 2 5 2 38.983 77.965 0.352 3.39 2 106.9 36.5
340 4 -1 2 39.072 78.143 0.352 3.38 2 158.9 80.4
341 -2 4 3 39.076 78.153 0.352 3.38 2 158.8 80.3
342 2 -6 2 39.104 78.208 0.353 3.37 2 77.5 19.1
343 -1 -5 4 39.123 78.245 0.353 3.37 2 146.1 67.9
344 -1 7 0 39.266 78.531 0.354 3.35 2 180.1 102.5
345 2 -5 3 39.391 78.781 0.355 3.33 2 209.6 138.1
346 1 -6 3 39.393 78.786 0.355 3.33 2 47.3 7.0
347 -3 0 4 39.404 78.808 0.355 3.33 2 23.8 1.8
348 -3 3 3 39.411 78.822 0.355 3.33 2 29.9 2.8
349 0 -5 4 39.51 79.019 0.356 3.32 2 19.6 1.2
350 2 -1 4 39.536 79.072 0.356 3.31 2 189.2 111.8
351 -2 2 4 39.614 79.229 0.356 3.3 2 55.4 9.6
352 1 2 4 39.706 79.412 0.357 3.29 2 220.1 150.3
353 3 -3 3 39.738 79.477 0.357 3.29 2 166.7 86.2
354 0 6 2 39.739 79.478 0.357 3.29 2 164.2 83.6
355 4 1 2 39.745 79.49 0.357 3.29 2 276.7 237.3
356 -3 -3 4 39.749 79.499 0.357 3.29 2 99.9 30.9
357 -4 -3 3 39.762 79.524 0.358 3.29 2 38.2 4.5
358 -3 -6 2 39.799 79.598 0.358 3.28 2 200.4 124.2
359 -2 -7 1 39.905 79.81 0.359 3.27 2 227.4 159.2
360 2 -2 4 39.905 79.81 0.359 3.27 2 93.6 27.0
361 3 4 2 39.976 79.953 0.359 3.26 2 240.7 177.9
362 2 0 4 40.064 80.128 0.36 3.25 2 12.7 0.5
363 4 -2 2 40.082 80.164 0.36 3.24 2 175.5 94.1
364 -4 4 0 40.203 80.407 0.361 3.23 2 332.6 336.7
365 -4 1 3 40.22 80.439 0.361 3.23 2 53.4 8.7
366 3 6 0 40.315 80.631 0.362 3.22 2 171.4 89.1
367 -1 6 2 40.485 80.97 0.363 3.2 2 83.1 20.8
368 1 -7 2 40.509 81.018 0.363 3.19 2 340.2 348.3
369 3 -5 2 40.53 81.061 0.363 3.19 2 32.8 3.2
370 -4 3 2 40.617 81.235 0.364 3.18 2 4.9 0.1
371 -2 -7 2 40.772 81.543 0.365 3.16 2 284.5 241.3
372 -2 -5 4 40.772 81.544 0.365 3.16 2 201.6 121.1
373 3 2 3 40.774 81.547 0.365 3.16 2 210.2 131.7
374 0 7 1 40.885 81.77 0.366 3.15 2 296.0 260.1
375 0 3 4 40.954 81.907 0.366 3.14 2 136.1 54.9
376 -1 3 4 40.974 81.948 0.367 3.14 2 144.8 62.1
377 -5 -1 1 40.977 81.954 0.367 3.14 2 47.4 6.7
378 -4 -5 1 41.02 82.04 0.367 3.14 2 265.9 209.0
379 1 6 2 41.023 82.046 0.367 3.14 2 225.7 150.6
380 -5 0 1 41.051 82.103 0.367 3.13 2 29.3 2.5
381 -3 1 4 41.077 82.155 0.367 3.13 2 228.0 153.4
382 0 5 3 41.161 82.323 0.368 3.12 2 123.1 44.6
383 2 -3 4 41.165 82.33 0.368 3.12 2 110.9 36.2
384 -4 4 1 41.235 82.47 0.368 3.11 2 72.4 15.4
385 2 7 0 41.249 82.498 0.369 3.11 2 124.2 45.3
386 5 0 0 41.376 82.753 0.369 3.1 2 0.6 0.0
387 4 -4 1 41.379 82.759 0.37 3.1 2 20.8 1.3
388 4 2 2 41.418 82.835 0.37 3.09 2 44.6 5.8
389 2 1 4 41.48 82.96 0.37 3.09 2 114.1 37.9
390 -1 5 3 41.567 83.134 0.371 3.08 2 234.7 159.8
391 5 1 0 41.569 83.138 0.371 3.08 2 311.8 282.1
392 -3 -4 4 41.648 83.295 0.371 3.07 2 44.1 5.6
393 2 4 3 41.706 83.412 0.372 3.07 2 49.6 7.1
394 -5 -2 1 41.792 83.583 0.373 3.06 2 17.7 0.9
395 1 7 1 41.828 83.655 0.373 3.05 2 85.0 20.8
396 -4 -5 2 41.846 83.692 0.373 3.05 2 295.2 250.8
397 -4 -4 3 41.876 83.752 0.373 3.05 2 184.5 97.9
398 4 4 1 41.905 83.811 0.373 3.05 2 167.4 80.5
399 1 -5 4 41.919 83.838 0.373 3.05 2 157.9 71.6
400 -1 7 1 41.961 83.923 0.374 3.04 2 27.0 2.1
401 4 -3 2 41.974 83.949 0.374 3.04 2 162.0 75.2
402 -5 1 1 42.014 84.028 0.374 3.04 2 52.2 7.8
403 -1 -7 3 42.014 84.028 0.374 3.04 2 5.5 0.1
404 -5 1 0 42.071 84.143 0.375 3.03 2 3.4 0.0
405 -3 6 0 42.128 84.256 0.375 3.03 2 141.4 57.1
406 3 -4 3 42.204 84.408 0.376 3.02 2 9.1 0.2
407 0 -7 3 42.211 84.423 0.376 3.02 2 8.6 0.2
408 -1 -2 5 42.244 84.488 0.376 3.02 2 206.3 120.9
409 -1 -1 5 42.296 84.593 0.376 3.01 2 20.1 1.2
410 4 5 0 42.393 84.786 0.377 3.0 2 176.5 88.2
411 -3 5 2 42.45 84.9 0.377 3.0 2 107.3 32.5
412 2 -7 1 42.457 84.913 0.377 3.0 2 49.4 6.9
413 3 -6 1 42.48 84.96 0.378 3.0 2 171.9 83.4
414 -4 2 3 42.556 85.111 0.378 2.99 2 301.1 255.5
415 -5 -1 2 42.584 85.168 0.378 2.99 2 241.2 163.8
416 5 2 0 42.648 85.295 0.379 2.98 2 66.7 12.5
417 -2 7 0 42.655 85.309 0.379 2.98 2 118.8 39.7
418 0 -2 5 42.759 85.517 0.38 2.97 2 188.5 99.5
419 0 -1 5 42.761 85.521 0.38 2.97 2 80.1 18.0
420 1 5 3 42.771 85.542 0.38 2.97 2 164.7 76.0
421 -3 -6 3 42.847 85.693 0.38 2.97 2 288.8 233.2
422 -1 -6 4 42.902 85.803 0.381 2.96 2 15.4 0.7
423 -5 0 2 42.924 85.847 0.381 2.96 2 183.8 94.2
424 1 3 4 42.948 85.896 0.381 2.96 2 3.2 0.0
425 -2 3 4 43.008 86.016 0.381 2.95 2 209.5 122.2
426 -1 -3 5 43.077 86.153 0.382 2.95 2 167.6 78.1
427 -5 -2 2 43.129 86.257 0.382 2.94 2 66.3 12.2
428 -1 0 5 43.233 86.466 0.383 2.94 2 112.3 34.9
429 -2 6 2 43.24 86.481 0.383 2.94 2 279.4 216.0
430 2 -4 4 43.301 86.602 0.383 2.93 2 105.9 31.0
431 0 -6 4 43.332 86.664 0.384 2.93 2 86.0 20.4
432 -3 4 3 43.476 86.952 0.385 2.92 2 207.1 118.0
433 -5 -3 1 43.487 86.975 0.385 2.92 2 46.3 5.9
434 0 -8 1 43.537 87.075 0.385 2.91 2 85.0 19.8
435 2 -6 3 43.58 87.16 0.385 2.91 2 117.7 38.0
436 -3 2 4 43.621 87.242 0.386 2.91 2 107.8 31.9
437 3 3 3 43.638 87.275 0.386 2.91 2 149.0 60.8
438 0 -3 5 43.64 87.28 0.386 2.91 2 58.9 9.5
439 0 0 5 43.646 87.292 0.386 2.91 2 260.5 186.0
440 -5 2 0 43.648 87.296 0.386 2.91 2 231.0 146.2
441 -2 -2 5 43.738 87.477 0.386 2.9 2 25.4 1.8
442 2 2 4 43.771 87.542 0.387 2.9 2 145.4 57.7
443 -2 -7 3 43.826 87.651 0.387 2.9 2 125.6 43.0
444 -2 -1 5 43.84 87.681 0.387 2.89 2 91.4 22.8
445 -5 2 1 43.856 87.712 0.387 2.89 2 140.4 53.8
446 -1 -8 1 43.857 87.714 0.387 2.89 2 177.4 85.9
447 3 6 1 43.866 87.731 0.387 2.89 2 50.4 6.9
448 5 0 1 43.891 87.783 0.388 2.89 2 142.7 55.5
449 4 3 2 43.961 87.922 0.388 2.89 2 49.0 6.5
450 -3 6 1 43.965 87.931 0.388 2.89 2 58.6 9.3
451 -2 5 3 43.98 87.961 0.388 2.89 2 174.9 83.2
452 -5 1 2 44.145 88.291 0.389 2.88 2 158.2 67.8
453 2 6 2 44.306 88.612 0.39 2.87 2 209.5 118.6
454 -3 -7 1 44.306 88.613 0.39 2.87 2 155.0 64.9
455 5 -1 1 44.317 88.634 0.391 2.87 2 33.9 3.1
456 5 1 1 44.348 88.696 0.391 2.86 2 87.7 20.7
457 3 5 2 44.35 88.699 0.391 2.86 2 49.7 6.7
458 -4 5 0 44.393 88.785 0.391 2.86 2 171.2 79.0
459 -3 -5 4 44.413 88.827 0.391 2.86 2 114.4 35.3
460 1 -7 3 44.415 88.83 0.391 2.86 2 120.1 38.9
461 2 -7 2 44.447 88.893 0.391 2.86 2 113.7 34.8
462 -4 4 2 44.45 88.9 0.391 2.86 2 125.4 42.4
463 -2 -6 4 44.477 88.954 0.392 2.86 2 120.6 39.2
464 -4 -1 4 44.499 88.999 0.392 2.85 2 103.9 29.0
465 -2 -3 5 44.519 89.037 0.392 2.85 2 164.4 72.7
466 -5 -3 2 44.555 89.11 0.392 2.85 2 45.5 5.6
467 -4 -2 4 44.563 89.125 0.392 2.85 2 30.4 2.5
468 0 8 0 44.566 89.131 0.392 2.85 2 59.8 9.6
469 5 3 0 44.605 89.21 0.393 2.85 2 113.7 34.7
470 0 -8 2 44.694 89.388 0.393 2.84 2 54.1 7.9
471 -1 -8 2 44.731 89.461 0.393 2.84 2 192.0 98.8
472 4 -4 2 44.736 89.471 0.393 2.84 2 283.8 215.7
473 2 7 1 44.772 89.543 0.394 2.84 2 24.6 1.6
474 -1 -4 5 44.79 89.579 0.394 2.84 2 169.6 77.0
475 -2 0 5 44.824 89.649 0.394 2.84 2 133.9 48.0
476 -4 -5 3 44.856 89.711 0.394 2.84 2 100.2 26.8
477 -3 -7 2 44.879 89.758 0.394 2.83 2 1.7 0.0
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 5.032 10.064 10.19727 949.2 17.2 17.4 5.6
2 1 0 0 7.597 15.194 6.76593 514.3 9.3 9.4 5.6
3 0 0 1 7.934 15.869 6.47969 300.2 5.4 5.5 5.6
4 0 -1 1 8.554 17.109 6.01331 1129.0 20.5 20.6 5.6
5 1 1 0 8.968 17.936 5.73796 553.4 10.0 10.1 5.6
6 0 2 0 10.104 20.208 5.09863 548.5 9.9 10.0 5.6
7 0 1 1 10.202 20.405 5.04991 286.8 5.2 5.2 5.6
8 -1 0 1 10.239 20.478 5.032 649.6 11.8 11.8 5.6
9 -1 -1 1 10.593 21.187 4.8655 405.4 7.3 7.4 5.6
10 1 0 1 11.75 23.499 4.39244 294.9 5.3 5.3 5.6
11 -1 1 1 12.218 24.435 4.22662 3845.8 69.7 69.7 5.6
12 1 -1 1 12.304 24.607 4.19749 5517.5 100.0 100.0 5.6
13 1 2 0 12.455 24.909 4.14746 2286.5 41.4 41.4 5.6
14 -1 2 0 12.92 25.841 4.00034 170.6 3.1 3.1 5.6
15 -1 -2 1 13.102 26.203 3.94593 1652.2 29.9 29.9 5.6
16 1 1 1 13.299 26.598 3.88843 1012.1 18.3 18.3 5.6
17 0 2 1 14.067 28.135 3.67998 200.4 3.6 3.6 5.6
18 0 3 0 15.257 30.514 3.39909 3401.9 61.7 61.4 5.6
19 -1 2 1 15.715 31.43 3.30236 884.2 16.0 15.9 5.6
20 0 -3 1 15.832 31.664 3.27858 3001.1 54.4 54.1 5.6
21 2 1 0 15.987 31.975 3.24754 2968.3 53.8 53.5 5.6
22 0 0 2 16.026 32.053 3.23984 1625.6 29.5 29.3 5.6
23 -2 0 1 16.334 32.668 3.18049 261.1 4.7 4.7 5.6
24 1 2 1 16.403 32.807 3.16736 875.0 15.9 15.8 5.6
25 -2 -1 1 16.474 32.949 3.15411 2808.0 50.9 50.5 5.6
26 -1 -1 2 16.577 33.155 3.13503 94.0 1.7 1.7 5.6
27 -1 0 2 16.83 33.659 3.08937 1134.6 20.6 20.4 5.7
28 1 3 0 16.859 33.718 3.08415 353.2 6.4 6.4 5.7
29 0 -2 2 17.307 34.614 3.00666 1131.5 20.5 20.3 5.7
30 -1 3 0 17.391 34.782 2.99259 215.4 3.9 3.9 5.7
31 0 1 2 17.772 35.543 2.9305 2233.9 40.5 40.1 5.7
32 -1 -2 2 17.89 35.78 2.91174 1394.5 25.3 25.0 5.7
33 2 0 1 18.323 36.647 2.84517 151.8 2.8 2.7 5.7
34 -1 1 2 18.591 37.182 2.80563 169.1 3.1 3.0 5.7
35 0 3 1 18.641 37.283 2.7983 696.5 12.6 12.5 5.7
36 1 -1 2 18.709 37.418 2.78857 237.9 4.3 4.3 5.7
37 2 -1 1 18.78 37.561 2.77833 61.7 1.1 1.1 5.7
38 -2 2 0 18.829 37.659 2.77137 2836.0 51.4 50.8 5.7
39 2 1 1 19.316 38.631 2.70416 692.8 12.6 12.4 5.7
40 1 -2 2 20.055 40.109 2.60839 1485.6 26.9 26.6 5.7
41 1 1 2 20.236 40.472 2.58597 383.4 6.9 6.9 5.7
42 1 3 1 20.441 40.882 2.56112 184.3 3.3 3.3 5.7
43 -1 -3 2 20.506 41.013 2.55333 221.8 4.0 4.0 5.7
44 -2 -1 2 20.539 41.078 2.54945 491.8 8.9 8.8 5.7
45 0 2 2 20.747 41.495 2.52495 414.6 7.5 7.4 5.7
46 -2 0 2 20.825 41.649 2.516 369.1 6.7 6.6 5.7
47 2 3 0 21.467 42.934 2.44413 101.7 1.8 1.8 5.7
48 2 2 1 21.588 43.176 2.43105 338.7 6.1 6.0 5.7
49 1 4 0 21.732 43.464 2.41572 84.4 1.5 1.5 5.7
50 -1 4 0 22.306 44.613 2.35657 520.6 9.4 9.3 5.7
51 1 -3 2 22.6 45.2 2.32751 64.6 1.2 1.1 5.7
52 1 -4 1 22.751 45.503 2.31287 717.4 13.0 12.8 5.7
53 1 2 2 22.874 45.749 2.30108 127.6 2.3 2.3 5.7
54 3 0 0 23.366 46.732 2.25531 864.7 15.7 15.4 5.7
55 0 4 1 23.629 47.259 2.23159 557.6 10.1 9.9 5.7
56 -3 0 1 23.698 47.397 2.22546 502.1 9.1 8.9 5.7
57 3 1 0 23.763 47.526 2.21974 116.3 2.1 2.1 5.7
58 0 -1 3 23.991 47.982 2.19988 825.1 15.0 14.6 5.7
59 2 -1 2 24.048 48.096 2.19497 652.9 11.8 11.6 5.7
60 -1 -1 3 24.13 48.259 2.188 275.1 5.0 4.9 5.7
61 0 -2 3 24.694 49.388 2.14104 389.2 7.1 6.9 5.7
62 -2 -4 1 24.86 49.719 2.12765 1947.6 35.3 34.5 5.7
63 -2 2 2 25.04 50.08 2.11331 304.2 5.5 5.4 5.7
64 1 4 1 25.073 50.146 2.11071 283.4 5.1 5.0 5.7
65 2 1 2 25.184 50.368 2.10202 247.2 4.5 4.4 5.8
66 2 -2 2 25.226 50.452 2.09875 548.7 9.9 9.7 5.8
67 3 2 0 25.315 50.631 2.09181 134.1 2.4 2.4 5.8
68 -1 3 2 25.359 50.718 2.08847 297.2 5.4 5.3 5.8
69 0 -5 1 25.717 51.433 2.06134 60.2 1.1 1.1 5.8
70 3 0 1 25.926 51.852 2.04583 537.3 9.7 9.5 5.8
71 0 5 0 26.013 52.026 2.03945 130.6 2.4 2.3 5.8
72 1 -4 2 26.073 52.145 2.03514 1182.8 21.4 20.9 5.8
73 3 -1 1 26.338 52.676 2.01608 140.1 2.5 2.5 5.8
74 1 3 2 26.418 52.835 2.01043 150.4 2.7 2.7 5.8
75 1 -1 3 26.456 52.911 2.00775 133.7 2.4 2.4 5.8
76 -1 -3 3 26.507 53.014 2.00415 480.9 8.7 8.5 5.8
77 -3 -1 2 26.546 53.092 2.0014 259.8 4.7 4.6 5.8
78 1 0 3 26.835 53.67 1.98143 961.9 17.4 16.9 5.8
79 1 5 0 26.955 53.91 1.97326 647.1 11.7 11.4 5.8
80 -3 2 1 27.048 54.097 1.96696 61.8 1.1 1.1 5.8
81 -2 -2 3 27.369 54.738 1.94567 247.6 4.5 4.4 5.8
82 -2 0 3 27.401 54.801 1.9436 972.5 17.6 17.1 5.8
83 -1 5 0 27.568 55.136 1.93272 251.4 4.6 4.4 5.8
84 3 3 0 27.882 55.764 1.91265 669.6 12.1 11.8 5.8
85 0 -5 2 28.133 56.267 1.89696 78.3 1.4 1.4 5.8
86 -3 1 2 28.21 56.421 1.8922 191.6 3.5 3.4 5.8
87 1 1 3 28.28 56.561 1.88789 71.8 1.3 1.3 5.8
88 -1 -5 2 28.357 56.713 1.88324 1071.6 19.4 18.8 5.8
89 -2 3 2 28.563 57.126 1.87078 748.0 13.6 13.1 5.8
90 0 2 3 28.659 57.318 1.86502 269.0 4.9 4.7 5.8
91 2 4 1 28.893 57.787 1.85118 355.5 6.4 6.2 5.8
92 -1 2 3 28.959 57.917 1.84738 1012.7 18.4 17.7 5.8
93 -2 1 3 29.004 58.008 1.84474 210.4 3.8 3.7 5.8
94 0 4 2 29.086 58.172 1.83999 477.9 8.7 8.4 5.8
95 -3 -3 2 29.17 58.341 1.83514 625.1 11.3 10.9 5.8
96 0 -4 3 29.275 58.549 1.82918 142.1 2.6 2.5 5.8
97 -1 5 1 30.094 60.188 1.78386 226.0 4.1 3.9 5.8
98 -3 3 1 30.165 60.33 1.78005 342.2 6.2 6.0 5.8
99 3 -3 1 30.288 60.576 1.77349 826.4 15.0 14.4 5.8
100 2 3 2 30.503 61.005 1.76222 293.0 5.3 5.1 5.8
101 -3 2 2 30.553 61.105 1.75961 168.8 3.1 2.9 5.8
102 2 -4 2 30.589 61.178 1.75772 138.6 2.5 2.4 5.8
103 3 -1 2 30.93 61.86 1.74023 156.5 2.8 2.7 5.8
104 0 -6 1 31.197 62.393 1.72684 614.0 11.1 10.7 5.8
105 3 4 0 31.303 62.606 1.72156 125.5 2.3 2.2 5.8
106 -2 5 0 31.369 62.738 1.71831 707.3 12.8 12.3 5.9
107 -2 -4 3 31.464 62.928 1.71365 326.6 5.9 5.7 5.9
108 -2 2 3 31.551 63.101 1.70942 88.6 1.6 1.5 5.9
109 -3 -1 3 31.665 63.331 1.70387 184.5 3.3 3.2 5.9
110 2 -5 1 31.742 63.484 1.70019 329.3 6.0 5.7 5.9
111 3 1 2 31.785 63.571 1.6981 112.8 2.0 2.0 5.9
112 -4 0 1 31.881 63.761 1.69356 67.7 1.2 1.2 5.9
113 0 3 3 32.098 64.196 1.6833 122.1 2.2 2.1 5.9
114 1 6 0 32.534 65.069 1.66316 226.1 4.1 3.9 5.9
115 -4 1 0 32.634 65.268 1.65866 783.4 14.2 13.6 5.9
116 -4 -2 1 32.804 65.607 1.65102 874.8 15.9 15.1 5.9
117 -4 1 1 32.882 65.763 1.64754 594.5 10.8 10.3 5.9
118 -1 6 0 33.191 66.383 1.6339 97.8 1.8 1.7 5.9
119 -1 0 4 33.374 66.749 1.62597 140.1 2.5 2.4 5.9
120 -2 5 1 33.415 66.83 1.62422 102.7 1.9 1.8 5.9
121 2 -3 3 33.453 66.906 1.6226 319.4 5.8 5.5 5.9
122 2 5 1 33.56 67.119 1.61804 363.5 6.6 6.3 5.9
123 1 3 3 33.959 67.917 1.60127 276.7 5.0 4.8 5.9
124 -3 4 1 34.055 68.111 1.59727 318.2 5.8 5.5 5.9
125 0 5 2 34.13 68.261 1.59418 152.2 2.8 2.6 5.9
126 -2 -6 1 34.32 68.64 1.58645 72.1 1.3 1.2 5.9
127 4 0 1 34.353 68.707 1.58509 118.4 2.1 2.0 5.9
128 2 -5 2 34.493 68.985 1.57948 128.6 2.3 2.2 5.9
129 -2 -1 4 34.619 69.239 1.57441 88.6 1.6 1.5 5.9
130 0 6 1 34.682 69.364 1.57193 107.4 1.9 1.8 5.9
131 4 -1 1 34.755 69.511 1.56903 165.0 3.0 2.8 5.9
132 -2 -2 4 34.794 69.587 1.56752 244.6 4.4 4.2 5.9
133 -1 5 2 34.864 69.729 1.56473 63.1 1.1 1.1 5.9
134 -1 1 4 35.042 70.084 1.55782 159.7 2.9 2.7 5.9
135 0 1 4 35.127 70.254 1.55453 188.4 3.4 3.2 5.9
136 1 -1 4 35.194 70.388 1.55195 72.2 1.3 1.2 5.9
137 -4 1 2 35.474 70.949 1.54127 185.9 3.4 3.2 5.9
138 1 -2 4 35.525 71.05 1.53936 193.9 3.5 3.3 5.9
139 -3 -4 3 35.762 71.523 1.53053 267.6 4.9 4.6 5.9
140 1 0 4 35.796 71.591 1.52927 65.4 1.2 1.1 5.9
141 -1 -4 4 36.167 72.333 1.51569 140.0 2.5 2.4 5.9
142 4 2 1 36.36 72.721 1.50872 242.1 4.4 4.1 6.0
143 0 -4 4 36.512 73.023 1.50333 269.3 4.9 4.6 6.0
144 1 -3 4 36.779 73.558 1.49393 242.8 4.4 4.1 6.0
145 3 -4 2 36.852 73.703 1.4914 140.9 2.6 2.4 6.0
146 -1 -6 3 37.031 74.062 1.48521 123.6 2.2 2.1 6.0
147 0 -7 1 37.09 74.181 1.48317 131.0 2.4 2.2 6.0
148 0 -6 3 37.183 74.366 1.48 236.1 4.3 4.0 6.0
149 1 1 4 37.312 74.624 1.47564 98.7 1.8 1.7 6.0
150 3 -1 3 37.444 74.888 1.47119 81.1 1.5 1.4 6.0
151 -4 2 2 37.62 75.239 1.46533 267.8 4.9 4.6 6.0
152 3 -2 3 38.143 76.287 1.44821 98.6 1.8 1.7 6.0
153 -4 -1 3 38.189 76.378 1.44675 315.3 5.7 5.3 6.0
154 -4 -2 3 38.526 77.052 1.43603 175.5 3.2 3.0 6.0
155 4 3 1 38.71 77.42 1.43028 307.4 5.6 5.2 6.0
156 3 1 3 38.772 77.545 1.42833 223.2 4.0 3.8 6.0
157 2 6 1 38.828 77.656 1.42661 131.3 2.4 2.2 6.0
158 -2 6 1 38.896 77.792 1.4245 169.4 3.1 2.9 6.0
159 4 0 2 38.959 77.917 1.42258 319.9 5.8 5.4 6.0
160 4 -1 2 39.072 78.143 1.41912 160.7 2.9 2.7 6.0
161 -1 -5 4 39.123 78.245 1.41756 87.0 1.6 1.5 6.0
162 -1 7 0 39.266 78.531 1.41324 102.5 1.9 1.7 6.0
163 2 -5 3 39.391 78.781 1.40948 149.7 2.7 2.5 6.0
164 2 -1 4 39.536 79.072 1.40513 113.0 2.0 1.9 6.0
165 1 2 4 39.706 79.412 1.40012 150.3 2.7 2.5 6.0
166 4 1 2 39.745 79.49 1.39897 442.5 8.0 7.5 6.0
167 -3 -6 2 39.799 79.598 1.39738 124.2 2.3 2.1 6.0
168 -2 -7 1 39.905 79.81 1.39429 186.2 3.4 3.1 6.0
169 3 4 2 39.976 79.953 1.39222 177.9 3.2 3.0 6.0
170 4 -2 2 40.082 80.164 1.38916 94.1 1.7 1.6 6.0
171 -4 4 0 40.203 80.407 1.38568 345.4 6.3 5.8 6.0
172 3 6 0 40.315 80.631 1.38249 89.1 1.6 1.5 6.1
173 1 -7 2 40.509 81.018 1.377 372.4 6.7 6.3 6.1
174 -2 -7 2 40.772 81.543 1.36967 494.2 9.0 8.3 6.1
175 0 7 1 40.885 81.77 1.36654 260.1 4.7 4.4 6.1
176 -1 3 4 40.974 81.948 1.3641 123.6 2.2 2.1 6.1
177 -4 -5 1 41.02 82.04 1.36284 359.5 6.5 6.0 6.1
178 -3 1 4 41.077 82.155 1.36127 155.9 2.8 2.6 6.1
179 0 5 3 41.161 82.323 1.35899 80.8 1.5 1.4 6.1
180 2 7 0 41.249 82.498 1.35661 60.7 1.1 1.0 6.1
181 5 1 0 41.569 83.138 1.34805 441.9 8.0 7.4 6.1
182 -4 -5 2 41.846 83.692 1.34076 449.9 8.2 7.5 6.1
183 1 -5 4 41.919 83.838 1.33885 71.6 1.3 1.2 6.1
184 4 -3 2 41.974 83.949 1.33741 77.3 1.4 1.3 6.1
185 -3 6 0 42.128 84.256 1.33345 57.1 1.0 1.0 6.1
186 -1 -2 5 42.244 84.488 1.33046 120.9 2.2 2.0 6.1
187 4 5 0 42.393 84.786 1.32667 88.2 1.6 1.5 6.1
188 3 -6 1 42.48 84.96 1.32447 122.8 2.2 2.0 6.1
189 -4 2 3 42.556 85.111 1.32257 419.4 7.6 7.0 6.1
190 0 -2 5 42.759 85.517 1.31749 193.5 3.5 3.2 6.1
191 -3 -6 3 42.847 85.693 1.31531 233.2 4.2 3.9 6.1
192 -5 0 2 42.924 85.847 1.31341 94.2 1.7 1.6 6.1
193 -2 3 4 43.008 86.016 1.31133 122.2 2.2 2.0 6.1
194 -1 -3 5 43.077 86.153 1.30965 78.1 1.4 1.3 6.1
195 -2 6 2 43.24 86.481 1.30567 250.9 4.5 4.2 6.1
196 -3 4 3 43.476 86.952 1.3 123.9 2.2 2.0 6.1
197 -5 2 0 43.648 87.296 1.2959 434.4 7.9 7.2 6.2
198 2 2 4 43.771 87.542 1.29299 57.7 1.0 1.0 6.2
199 -5 2 1 43.856 87.712 1.29099 212.4 3.8 3.5 6.2
200 5 0 1 43.891 87.783 1.29016 55.5 1.0 0.9 6.2
201 -2 5 3 43.98 87.961 1.28808 99.1 1.8 1.6 6.2
202 -5 1 2 44.145 88.291 1.28426 67.8 1.2 1.1 6.2
203 2 6 2 44.306 88.612 1.28056 186.6 3.4 3.1 6.2
204 -4 5 0 44.393 88.785 1.27858 153.2 2.8 2.5 6.2
205 -2 -6 4 44.477 88.954 1.27666 116.4 2.1 1.9 6.2
206 -2 -3 5 44.519 89.037 1.27572 101.8 1.8 1.7 6.2
207 4 -4 2 44.736 89.471 1.27083 314.5 5.7 5.2 6.2
208 -1 -4 5 44.79 89.579 1.26963 78.6 1.4 1.3 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
|