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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GUILLEMINITE
1
Ba[UO(2)](3)[SeO(3)](2)O(2)[H(2)O](3)
Orthorhombic P 2(1)nm Z = 2
R =0.047 NR =975
18 .3 .1996
Ref.Str.:
Cooper M.A., Hawtorne F.C. (1995)
* Canad. Mineral., 33, 1103-1109
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.084 alpha = 90.0
b = 7.293 beta = 90.0
c = 16.881 gamma = 90.0
Unit cell volume (cub. angs.) = 872.13
Molar volume ( cub.cm/mol.) = 262.66
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0765 0.0 0.0 Ba = 1.00
2 0.8202 0.3912 0.5 0.0 U = 1.00
3 0.3222 0.3942 0.3917 0.0 U = 1.00
4 0.8302 0.3713 0.2959 0.0 Se = 1.00
5 0.84 0.146 0.5 0.0 O = 1.00
6 0.504 0.325 0.5 0.0 O = 1.00
7 0.14 0.403 0.5 0.0 O = 1.00
8 0.298 0.363 0.0 0.0 O = 1.00
9 0.357 0.636 0.397 0.0 O = 1.00
10 0.303 0.147 0.385 0.0 O = 1.00
11 0.994 0.433 0.365 0.0 O = 1.00
12 0.292 0.428 0.25 0.0 O = 1.00
13 0.655 0.364 0.362 0.0 O = 1.00
14 0.617 0.119 0.0 0.0 H(2)O = 1.00
15 0.154 0.099 0.158 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0765 0.0
2 2 0.8202 0.3912 0.5
3 3 0.3222 0.3942 0.3917
4 4 0.8302 0.3713 0.2959
5 5 0.84 0.146 0.5
6 6 0.504 0.325 0.5
7 7 0.14 0.403 0.5
8 8 0.298 0.363 0.0
9 9 0.357 0.636 0.397
10 10 0.303 0.147 0.385
11 11 0.994 0.433 0.365
12 12 0.292 0.428 0.25
13 13 0.655 0.364 0.362
14 14 0.617 0.119 0.0
15 15 0.154 0.099 0.158
16 3 0.3222 0.3942 0.6083
17 4 0.8302 0.3713 0.7041
18 9 0.357 0.636 0.603
19 10 0.303 0.147 0.615
20 11 0.994 0.433 0.635
21 12 0.292 0.428 0.75
22 13 0.655 0.364 0.638
23 15 0.154 0.099 0.842
24 1 0.5 0.9235 0.5
25 2 0.3202 0.6088 0.0
26 3 0.8222 0.6058 0.8917
27 4 0.3302 0.6287 0.7959
28 5 0.34 0.854 0.0
29 6 0.004 0.675 0.0
30 7 0.64 0.597 0.0
31 8 0.798 0.637 0.5
32 9 0.857 0.364 0.897
33 10 0.803 0.853 0.885
34 11 0.494 0.567 0.865
35 12 0.792 0.572 0.75
36 13 0.155 0.636 0.862
37 14 0.117 0.881 0.5
38 15 0.654 0.901 0.658
39 3 0.8222 0.6058 0.1083
40 4 0.3302 0.6287 0.2041
41 9 0.857 0.364 0.103
42 10 0.803 0.853 0.115
43 11 0.494 0.567 0.135
44 12 0.792 0.572 0.25
45 13 0.155 0.636 0.138
46 15 0.654 0.901 0.342
X-ray density (g/cm cub.) = 4.9
MU (1/cm) = 1196.51 Mass attenuation coefficient (cm**2/g) = 244.149
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.456 10
2.9702 8
2.7308 14
2.8863 15
2.8863 15
2.9042 5
2.9283 6
2.9062 9
2.8936 10
2.9062 9
2.8936 10
2 U 3.048 8
1.7937 5
2.2914 6
2.2671 7
2.6081 11
2.6145 13
2.6081 11
2.6145 13
1.7995 8
3 U 3.048 7
2.2925 6
2.2388 7
1.7828 9
1.8115 10
2.3851 11
2.4142 12
2.4203 13
4 Se 2.628 3
1.7058 11
1.6698 13
1.6781 12
5 O 3.432 7
2.7147 6
2.8336 7
3.281 11
3.11 13
3.281 11
3.11 13
2.7542 14
6 O 3.432 9
2.7147 5
2.6406 7
3.0417 9
2.7352 10
2.5792 13
3.0417 9
2.7352 10
2.5792 13
3.0847 8
7 O 3.432 9
2.8336 5
2.6406 6
2.8764 9
2.9305 10
2.5122 11
2.8764 9
2.9305 10
2.5122 11
2.9634 8
8 O 3.432 7
2.8763 14
3.0847 6
2.9634 7
3.0553 11
3.2276 13
3.0553 11
3.2276 13
9 O 3.432 7
3.0417 6
2.8764 7
3.016 11
2.9447 12
2.9564 13
3.0177 14
3.004 15
10 O 3.432 7
2.7352 6
2.9305 7
3.0424 11
3.0658 12
2.9788 13
3.0444 14
3.1509 15
11 O 3.432 8
3.281 5
2.5122 7
3.016 9
3.0424 10
2.8682 12
2.4542 13
3.0553 8
2.6161 12
12 O 3.432 7
2.9447 9
3.0658 10
2.8682 11
3.2257 13
3.0207 15
2.6161 11
2.6111 13
13 O 3.432 9
3.11 5
2.5792 6
2.9564 9
2.9788 10
2.4542 11
3.2257 12
3.2276 8
2.6111 12
3.3935 15
14 H(2)O 3.6 7
2.8763 8
2.7542 5
3.4899 7
3.0177 9
3.0444 10
3.0177 9
3.0444 10
15 H(2)O 3.6 6
3.4441 8
3.0207 12
3.4703 5
3.004 9
3.1509 10
3.3935 13
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 0 0 2 5.236 10.472 0.059 237.17 2 273.6 4668.8
2 0 1 0 6.063 12.126 0.069 176.32 2 450.0 9387.3
3 0 1 1 6.607 13.214 0.075 148.12 4 268.4 5610.6
4 1 0 1 6.772 13.544 0.077 140.87 4 142.9 1513.6
5 0 1 2 8.024 16.048 0.091 99.7 4 7.2 2.7
6 1 1 0 8.719 17.438 0.098 84.1 4 50.1 111.2
7 1 1 1 9.109 18.217 0.103 76.88 8 82.5 549.9
8 0 1 3 9.956 19.913 0.112 63.99 4 105.1 371.4
9 1 0 3 10.068 20.136 0.113 62.53 4 179.9 1064.6
10 1 1 2 10.191 20.383 0.115 60.97 8 26.9 46.2
11 0 0 4 10.517 21.033 0.118 57.13 2 10.9 1.8
12 1 1 3 11.786 23.571 0.133 45.06 8 199.2 1881.1
13 0 1 4 12.174 24.347 0.137 42.1 4 147.4 480.9
14 0 2 0 12.195 24.39 0.137 41.95 2 174.9 337.5
15 0 2 1 12.481 24.961 0.14 39.95 4 508.6 5435.0
16 2 0 0 12.56 25.121 0.141 39.42 2 550.3 3139.0
17 0 2 2 13.303 26.607 0.149 34.92 4 73.3 98.7
18 2 0 2 13.641 27.283 0.153 33.11 4 92.5 149.0
19 1 1 4 13.725 27.45 0.154 32.69 8 298.3 3059.6
20 1 2 0 13.744 27.488 0.154 32.59 4 81.6 114.2
21 2 1 0 13.991 27.981 0.157 31.38 4 492.8 4007.2
22 1 2 1 14.0 28.0 0.157 31.34 8 49.0 79.2
23 2 1 1 14.243 28.485 0.16 30.21 8 281.1 2511.1
24 0 1 5 14.561 29.122 0.163 28.82 4 51.0 39.4
25 0 2 3 14.579 29.158 0.163 28.74 4 22.3 7.5
26 1 0 5 14.64 29.279 0.164 28.49 4 564.9 4781.0
27 1 2 2 14.744 29.489 0.165 28.06 8 75.9 169.8
28 2 1 2 14.976 29.952 0.168 27.14 8 147.5 621.4
29 0 0 6 15.889 31.779 0.178 23.9 2 133.4 111.8
30 1 1 5 15.898 31.795 0.178 23.87 8 442.8 4921.2
31 1 2 3 15.914 31.828 0.178 23.81 8 49.7 62.0
32 2 1 3 16.131 32.261 0.18 23.13 8 38.8 36.6
33 0 2 4 16.211 32.421 0.181 22.88 4 14.1 2.4
34 2 0 4 16.494 32.988 0.184 22.04 4 138.0 220.7
35 0 1 6 17.064 34.129 0.19 20.47 4 111.6 134.0
36 1 2 4 17.433 34.867 0.194 19.54 8 293.2 1766.7
37 2 1 4 17.633 35.266 0.197 19.06 8 95.5 182.7
38 2 2 0 17.648 35.297 0.197 19.02 4 62.3 38.8
39 2 2 1 17.854 35.708 0.199 18.55 8 249.7 1216.1
40 0 2 5 18.115 36.23 0.202 17.97 4 85.4 68.9
41 1 1 6 18.237 36.474 0.203 17.7 8 224.8 940.6
42 2 2 2 18.458 36.916 0.206 17.24 8 35.5 22.8
43 0 3 0 18.473 36.946 0.206 17.21 2 276.9 346.8
44 0 3 1 18.671 37.341 0.208 16.81 4 267.3 631.6
45 3 0 1 19.231 38.462 0.214 15.75 4 13.3 1.5
46 1 2 5 19.232 38.463 0.214 15.75 8 69.1 79.0
47 0 3 2 19.253 38.506 0.214 15.71 4 49.1 19.9
48 2 1 5 19.416 38.831 0.216 15.42 8 20.8 7.0
49 2 2 3 19.429 38.859 0.216 15.39 8 118.6 227.9
50 1 3 0 19.572 39.145 0.217 15.15 4 122.3 119.2
51 0 1 7 19.659 39.318 0.218 15.0 4 24.2 4.6
52 1 0 7 19.719 39.438 0.219 14.9 4 91.4 65.4
53 1 3 1 19.76 39.521 0.219 14.83 8 42.3 27.9
54 3 1 0 20.052 40.105 0.223 14.35 4 70.4 37.4
55 0 3 3 20.192 40.383 0.224 14.13 4 132.8 131.0
56 0 2 6 20.231 40.461 0.224 14.07 4 31.4 7.3
57 3 1 1 20.237 40.474 0.225 14.06 8 123.9 227.1
58 1 3 2 20.316 40.633 0.225 13.94 8 96.9 137.6
59 2 0 6 20.465 40.931 0.227 13.71 4 129.7 121.3
60 1 1 7 20.705 41.41 0.229 13.36 8 106.6 159.6
61 3 0 3 20.718 41.435 0.23 13.34 4 388.9 1061.6
62 2 2 4 20.725 41.449 0.23 13.33 8 41.4 24.0
63 3 1 2 20.782 41.564 0.23 13.25 8 29.4 12.0
64 1 3 3 21.216 42.432 0.235 12.65 8 44.7 26.6
65 1 2 6 21.253 42.507 0.235 12.6 8 269.0 959.3
66 0 0 8 21.41 42.82 0.237 12.4 2 466.1 708.2
67 2 1 6 21.423 42.845 0.237 12.38 8 47.6 29.5
68 0 3 4 21.449 42.897 0.237 12.35 4 0.1 0.0
69 3 1 3 21.666 43.332 0.24 12.07 8 98.5 123.2
70 2 2 5 22.298 44.597 0.246 11.31 8 85.4 86.7
71 0 1 8 22.334 44.669 0.247 11.27 4 177.0 185.8
72 1 3 4 22.426 44.852 0.248 11.17 8 380.0 1696.2
73 0 2 7 22.516 45.032 0.249 11.07 4 176.7 181.8
74 2 3 0 22.601 45.201 0.249 10.98 4 227.7 299.3
75 2 3 1 22.768 45.537 0.251 10.79 8 374.3 1590.2
76 3 1 4 22.857 45.714 0.252 10.7 8 248.4 694.2
77 3 2 0 22.869 45.738 0.252 10.69 4 30.3 5.2
78 0 3 5 22.982 45.965 0.253 10.57 4 148.1 121.9
79 3 2 1 23.035 46.071 0.254 10.51 8 11.5 1.5
80 2 3 2 23.266 46.531 0.256 10.28 8 20.9 4.7
81 1 1 8 23.282 46.565 0.257 10.26 8 69.1 51.6
82 3 0 5 23.458 46.916 0.258 10.09 4 647.3 2223.2
83 1 2 7 23.458 46.916 0.258 10.09 8 27.3 7.9
84 3 2 2 23.528 47.056 0.259 10.02 8 99.0 103.3
85 2 1 7 23.615 47.23 0.26 9.94 8 57.3 34.4
86 1 3 5 23.91 47.821 0.263 9.66 8 226.7 522.3
87 2 3 3 24.077 48.153 0.265 9.51 8 88.9 79.1
88 2 2 6 24.111 48.221 0.265 9.48 8 62.6 39.1
89 3 1 5 24.321 48.642 0.267 9.29 8 321.2 1008.4
90 3 2 3 24.333 48.665 0.267 9.28 8 107.9 113.7
91 0 3 6 24.756 49.512 0.272 8.93 4 22.2 2.3
92 0 2 8 24.945 49.891 0.274 8.77 4 124.2 71.1
93 0 4 0 24.991 49.982 0.274 8.74 2 577.0 764.8
94 0 1 9 25.09 50.179 0.275 8.66 4 261.6 311.7
95 1 0 9 25.139 50.279 0.276 8.62 4 150.8 103.0
96 2 0 8 25.145 50.29 0.276 8.62 4 221.1 221.6
97 0 4 1 25.146 50.293 0.276 8.61 4 247.5 277.4
98 2 3 4 25.179 50.358 0.276 8.59 8 24.6 5.5
99 3 2 4 25.427 50.853 0.279 8.4 8 464.5 1906.2
100 0 4 2 25.609 51.217 0.281 8.26 4 144.5 90.7
101 1 3 6 25.635 51.27 0.281 8.25 8 315.5 863.1
102 4 0 0 25.782 51.563 0.282 8.14 2 495.0 524.5
103 1 2 8 25.82 51.64 0.283 8.11 8 144.6 178.3
104 1 4 0 25.865 51.729 0.283 8.08 4 126.5 68.0
105 1 1 9 25.961 51.921 0.284 8.01 8 55.3 25.8
106 2 1 8 25.966 51.932 0.284 8.01 8 239.0 481.1
107 1 4 1 26.016 52.032 0.285 7.97 8 57.5 27.7
108 3 1 6 26.026 52.051 0.285 7.97 8 164.3 226.2
109 2 2 7 26.128 52.257 0.286 7.9 8 44.6 16.5
110 0 4 3 26.366 52.732 0.288 7.73 4 53.0 11.4
111 4 0 2 26.386 52.771 0.288 7.72 4 130.8 69.5
112 1 4 2 26.467 52.935 0.289 7.67 8 56.6 25.9
113 2 3 5 26.547 53.093 0.29 7.61 8 52.3 21.9
114 4 1 0 26.589 53.177 0.291 7.59 4 382.2 583.0
115 4 1 1 26.737 53.475 0.292 7.49 8 226.7 404.9
116 0 3 7 26.738 53.476 0.292 7.49 4 11.0 0.5
117 3 2 5 26.785 53.571 0.293 7.46 8 115.6 104.9
118 3 3 0 27.05 54.099 0.295 7.3 4 154.7 91.9
119 0 0 10 27.149 54.297 0.296 7.24 2 525.3 524.9
120 3 0 7 27.164 54.329 0.296 7.23 4 97.1 35.8
121 4 1 2 27.18 54.36 0.297 7.22 8 108.0 88.5
122 3 3 1 27.197 54.393 0.297 7.21 8 13.2 1.3
123 1 4 3 27.208 54.415 0.297 7.2 8 148.2 166.3
124 0 4 4 27.401 54.802 0.299 7.08 4 43.7 7.1
125 0 2 9 27.504 55.008 0.3 7.02 4 441.0 718.6
126 1 3 7 27.572 55.144 0.3 6.99 8 37.8 10.5
127 3 3 2 27.634 55.269 0.301 6.95 8 53.1 20.6
128 4 1 3 27.908 55.815 0.304 6.8 8 45.6 14.8
129 0 1 10 27.928 55.856 0.304 6.78 4 253.4 229.2
130 3 1 7 27.944 55.887 0.304 6.78 8 45.4 14.7
131 4 0 4 28.144 56.287 0.306 6.67 4 108.5 41.3
132 2 3 6 28.155 56.31 0.306 6.66 8 1.6 0.0
133 1 4 4 28.222 56.444 0.307 6.63 8 131.4 120.3
134 1 2 9 28.323 56.646 0.308 6.57 8 57.8 23.1
135 2 2 8 28.328 56.656 0.308 6.57 8 52.2 18.9
136 3 3 3 28.354 56.708 0.308 6.56 8 67.4 31.3
137 2 4 0 28.37 56.74 0.308 6.55 4 426.6 626.7
138 3 2 6 28.384 56.768 0.309 6.54 8 313.9 677.8
139 2 1 9 28.46 56.92 0.309 6.5 8 281.8 542.9
140 2 4 1 28.512 57.025 0.31 6.47 8 115.0 90.1
141 0 4 5 28.695 57.39 0.312 6.38 4 11.5 0.4
142 1 1 10 28.739 57.478 0.312 6.36 8 37.9 9.6
143 4 1 4 28.905 57.811 0.314 6.28 8 54.5 19.6
144 0 3 8 28.906 57.812 0.314 6.28 4 91.4 27.6
145 4 2 0 28.916 57.832 0.314 6.27 4 81.0 21.7
146 2 4 2 28.937 57.874 0.314 6.26 8 80.0 42.2
147 4 2 1 29.056 58.113 0.315 6.2 8 281.4 516.6
148 3 3 4 29.342 58.684 0.318 6.07 8 268.0 458.4
149 4 2 2 29.476 58.952 0.319 6.01 8 34.9 7.7
150 1 4 5 29.492 58.984 0.32 6.0 8 433.5 1185.8
151 2 4 3 29.636 59.272 0.321 5.93 8 47.2 13.9
152 1 3 8 29.7 59.4 0.322 5.91 8 91.8 52.4
153 2 3 7 29.981 59.962 0.324 5.78 8 122.1 90.7
154 3 1 8 30.054 60.108 0.325 5.75 8 117.5 83.5
155 4 1 5 30.157 60.315 0.326 5.71 8 50.5 15.3
156 4 2 3 30.167 60.335 0.326 5.7 8 96.7 56.1
157 0 2 10 30.187 60.374 0.326 5.69 4 85.9 22.1
158 3 2 7 30.202 60.403 0.327 5.69 8 51.3 15.7
159 0 4 6 30.227 60.454 0.327 5.68 4 52.5 8.2
160 2 0 10 30.363 60.726 0.328 5.62 4 405.1 485.1
161 3 3 5 30.583 61.166 0.33 5.53 8 233.3 316.7
162 2 4 4 30.598 61.196 0.33 5.52 8 77.1 34.6
163 2 2 9 30.694 61.388 0.331 5.49 8 315.7 575.3
164 0 1 11 30.859 61.717 0.333 5.42 4 80.7 18.6
165 1 0 11 30.902 61.804 0.333 5.41 4 61.3 10.7
166 4 0 6 30.926 61.853 0.334 5.4 4 67.5 12.9
167 1 2 10 30.96 61.921 0.334 5.38 8 41.3 9.7
168 1 4 6 31.0 62.0 0.334 5.37 8 127.4 91.6
169 2 1 10 31.09 62.181 0.335 5.33 8 350.7 689.8
170 4 2 4 31.12 62.239 0.335 5.32 8 42.4 10.0
171 0 3 9 31.245 62.49 0.337 5.27 4 297.1 244.8
172 1 1 11 31.623 63.245 0.34 5.14 8 57.4 17.8
173 3 0 9 31.632 63.264 0.34 5.13 4 15.1 0.6
174 4 1 6 31.646 63.293 0.341 5.13 8 43.4 10.2
175 2 4 5 31.81 63.619 0.342 5.07 8 115.6 71.3
176 0 5 0 31.877 63.754 0.343 5.05 2 363.5 175.4
177 0 4 7 31.981 63.961 0.344 5.01 4 149.3 58.8
178 1 3 9 32.004 64.007 0.344 5.0 8 29.0 4.4
179 2 3 8 32.008 64.017 0.344 5.0 8 58.2 17.8
180 0 5 1 32.01 64.019 0.344 5.0 4 134.4 47.5
181 3 3 6 32.061 64.121 0.345 4.99 8 191.3 191.9
182 3 2 8 32.221 64.442 0.346 4.93 8 45.8 10.9
183 3 4 0 32.26 64.519 0.346 4.92 4 46.0 5.5
184 4 2 5 32.32 64.64 0.347 4.9 8 39.7 8.1
185 3 1 9 32.343 64.687 0.347 4.89 8 133.2 91.2
186 3 4 1 32.392 64.783 0.348 4.88 8 17.5 1.6
187 0 5 2 32.407 64.813 0.348 4.87 4 62.9 10.1
188 4 3 0 32.556 65.111 0.349 4.82 4 200.6 102.0
189 1 5 0 32.627 65.255 0.35 4.8 4 79.7 16.0
190 4 3 1 32.687 65.374 0.351 4.78 8 304.3 465.5
191 1 4 7 32.73 65.46 0.351 4.77 8 46.1 10.7
192 1 5 1 32.759 65.517 0.351 4.76 8 64.6 20.9
193 3 4 2 32.786 65.572 0.351 4.75 8 112.7 63.5
194 0 2 11 32.995 65.99 0.353 4.69 4 231.0 131.5
195 0 5 3 33.062 66.124 0.354 4.67 4 6.2 0.1
196 5 0 1 33.065 66.13 0.354 4.67 4 112.9 31.3
197 4 3 2 33.08 66.159 0.354 4.66 8 41.7 8.5
198 1 5 2 33.151 66.301 0.355 4.64 8 76.4 28.4
199 0 0 12 33.2 66.4 0.355 4.62 2 69.1 5.8
200 2 2 10 33.219 66.437 0.356 4.62 8 43.5 9.2
201 2 4 6 33.257 66.514 0.356 4.61 8 40.4 7.9
202 4 1 7 33.358 66.716 0.357 4.58 8 37.0 6.6
203 3 4 3 33.438 66.876 0.358 4.56 8 222.2 236.6
204 5 1 0 33.631 67.262 0.36 4.5 4 15.6 0.6
205 4 3 3 33.728 67.457 0.36 4.47 8 80.4 30.4
206 1 2 11 33.733 67.465 0.36 4.47 8 42.8 8.6
207 0 3 10 33.747 67.494 0.361 4.47 4 215.1 108.7
208 4 2 6 33.756 67.511 0.361 4.47 8 38.9 7.1
209 5 1 1 33.76 67.52 0.361 4.46 8 66.0 20.5
210 3 3 7 33.761 67.521 0.361 4.46 8 12.2 0.7
211 1 5 3 33.799 67.598 0.361 4.45 8 209.7 206.0
212 2 1 11 33.857 67.714 0.362 4.44 8 147.4 101.4
213 0 1 12 33.894 67.787 0.362 4.43 4 80.2 15.0
214 0 4 8 33.941 67.882 0.362 4.41 4 271.9 171.6
215 0 5 4 33.969 67.938 0.363 4.41 4 127.7 37.8
216 5 0 3 34.1 68.201 0.364 4.37 4 91.4 19.2
217 5 1 2 34.146 68.293 0.364 4.36 8 36.7 6.2
218 2 3 9 34.225 68.45 0.365 4.34 8 380.6 661.0
219 3 4 4 34.34 68.68 0.366 4.31 8 222.0 223.4
220 3 2 9 34.43 68.861 0.367 4.29 8 8.6 0.3
221 1 3 10 34.476 68.953 0.367 4.27 8 54.4 13.3
222 4 0 8 34.599 69.198 0.369 4.24 4 246.5 135.6
223 1 1 12 34.622 69.243 0.369 4.24 8 73.2 23.9
224 4 3 4 34.627 69.254 0.369 4.24 8 43.5 8.4
225 1 4 8 34.668 69.337 0.369 4.23 8 67.2 20.1
226 1 5 4 34.696 69.393 0.369 4.22 8 94.1 39.3
227 5 1 3 34.786 69.571 0.37 4.2 8 174.6 134.6
228 3 1 10 34.804 69.607 0.37 4.19 8 14.9 1.0
229 2 5 0 34.828 69.657 0.371 4.19 4 439.7 425.6
230 2 4 7 34.928 69.855 0.372 4.16 8 51.6 11.6
231 2 5 1 34.955 69.911 0.372 4.16 8 62.4 17.0
232 0 5 5 35.119 70.237 0.373 4.12 4 101.3 22.2
233 4 1 8 35.28 70.559 0.375 4.08 8 186.0 148.4
234 2 5 2 35.336 70.671 0.375 4.07 8 153.7 101.0
235 4 2 7 35.415 70.83 0.376 4.05 8 52.8 11.9
236 3 4 5 35.484 70.968 0.377 4.03 8 449.2 855.7
237 5 1 4 35.672 71.343 0.379 3.99 8 242.7 247.3
238 3 3 8 35.672 71.345 0.379 3.99 8 167.6 118.0
239 5 2 0 35.681 71.362 0.379 3.99 4 104.9 23.1
240 4 3 5 35.767 71.533 0.379 3.97 8 88.7 32.9
241 5 2 1 35.807 71.613 0.38 3.96 8 46.9 9.2
242 1 5 5 35.835 71.671 0.38 3.95 8 406.2 686.3
243 2 2 11 35.901 71.802 0.381 3.94 8 146.8 89.3
244 0 2 12 35.937 71.874 0.381 3.93 4 52.9 5.8
245 2 5 3 35.965 71.931 0.381 3.93 8 87.6 31.7
246 2 0 12 36.098 72.196 0.382 3.9 4 71.2 10.4
247 0 4 9 36.099 72.198 0.382 3.9 4 218.8 98.2
248 5 0 5 36.129 72.258 0.383 3.89 4 370.6 281.2
249 5 2 2 36.183 72.366 0.383 3.88 8 62.4 15.9
250 0 3 11 36.411 72.822 0.385 3.83 4 88.1 15.6
251 0 5 6 36.502 73.003 0.386 3.82 4 84.1 14.2
252 2 3 10 36.625 73.25 0.387 3.79 8 191.6 146.4
253 1 2 12 36.647 73.294 0.387 3.79 8 67.1 17.9
254 2 1 12 36.767 73.533 0.389 3.76 8 71.7 20.4
255 3 0 11 36.771 73.542 0.389 3.76 4 147.7 43.2
256 5 1 5 36.798 73.595 0.389 3.76 8 349.0 481.4
257 5 2 3 36.807 73.614 0.389 3.76 8 27.1 2.9
258 1 4 9 36.808 73.616 0.389 3.76 8 81.9 26.5
259 2 4 8 36.812 73.624 0.389 3.76 8 185.4 135.8
260 3 2 10 36.825 73.649 0.389 3.75 8 103.2 42.1
261 2 5 4 36.84 73.679 0.389 3.75 8 68.0 18.2
262 3 4 6 36.861 73.722 0.389 3.75 8 174.6 120.1
263 0 1 13 37.051 74.101 0.391 3.71 4 112.6 24.7
264 1 0 13 37.09 74.181 0.391 3.7 4 270.8 142.8
265 1 3 11 37.118 74.235 0.392 3.7 8 7.4 0.2
266 4 3 6 37.14 74.279 0.392 3.69 8 29.8 3.4
267 1 5 6 37.207 74.415 0.393 3.68 8 64.3 16.0
268 4 2 8 37.29 74.579 0.393 3.67 8 67.3 17.5
269 4 4 0 37.326 74.652 0.394 3.66 4 395.4 300.9
270 4 1 9 37.404 74.809 0.394 3.65 8 243.6 227.5
271 3 1 11 37.435 74.87 0.395 3.64 8 22.8 2.0
272 4 4 1 37.45 74.899 0.395 3.64 8 129.8 64.5
273 5 2 4 37.674 75.347 0.397 3.6 8 241.4 220.5
274 1 1 13 37.753 75.505 0.397 3.59 8 228.7 197.3
275 3 3 9 37.788 75.577 0.398 3.58 8 6.3 0.1
276 4 4 2 37.82 75.639 0.398 3.57 8 96.9 35.3
277 2 5 5 37.952 75.904 0.399 3.55 8 67.8 17.2
278 0 5 7 38.11 76.221 0.401 3.53 4 29.6 1.6
279 5 1 6 38.157 76.313 0.401 3.52 8 186.5 128.8
280 3 5 0 38.369 76.738 0.403 3.48 4 104.0 19.8
281 4 4 3 38.434 76.868 0.403 3.47 8 43.9 7.1
282 0 4 10 38.451 76.903 0.404 3.47 4 391.8 280.3
283 3 4 7 38.464 76.929 0.404 3.47 8 46.4 7.9
284 3 5 1 38.491 76.983 0.404 3.47 8 102.1 38.0
285 4 3 7 38.739 77.478 0.406 3.43 8 86.2 26.8
286 2 2 12 38.747 77.495 0.406 3.43 8 13.6 0.7
287 5 2 5 38.778 77.556 0.407 3.42 8 42.8 6.6
288 1 5 7 38.806 77.612 0.407 3.42 8 94.1 31.9
289 3 5 2 38.858 77.716 0.407 3.41 8 18.3 1.2
290 2 4 9 38.905 77.811 0.408 3.4 8 129.2 59.8
291 5 3 0 38.996 77.993 0.408 3.39 4 32.1 1.8
292 0 2 13 39.026 78.053 0.409 3.39 4 26.2 1.2
293 4 0 10 39.078 78.157 0.409 3.38 4 391.6 272.5
294 5 0 7 39.091 78.183 0.409 3.38 4 31.6 1.8
295 5 3 1 39.118 78.237 0.41 3.37 8 10.7 0.4
296 1 4 10 39.145 78.29 0.41 3.37 8 89.9 28.6
297 2 3 11 39.21 78.419 0.41 3.36 8 225.0 178.9
298 0 3 12 39.244 78.489 0.411 3.35 4 19.5 0.7
299 4 4 4 39.288 78.577 0.411 3.35 8 56.1 11.1
300 2 5 6 39.298 78.596 0.411 3.35 8 37.1 4.8
301 0 6 0 39.325 78.649 0.411 3.34 2 267.9 63.1
302 4 2 9 39.374 78.749 0.412 3.34 8 329.7 381.5
303 3 2 11 39.405 78.81 0.412 3.33 8 43.4 6.6
304 0 6 1 39.446 78.893 0.412 3.33 4 213.7 79.9
305 3 5 3 39.467 78.934 0.413 3.32 8 122.1 52.2
306 5 3 2 39.483 78.967 0.413 3.32 8 95.1 31.6
307 0 0 14 39.704 79.408 0.415 3.29 2 22.5 0.4
308 1 2 13 39.717 79.434 0.415 3.29 8 56.8 11.1
309 4 1 10 39.73 79.46 0.415 3.29 8 302.0 315.5
310 5 1 7 39.743 79.486 0.415 3.29 8 105.3 38.3
311 0 6 2 39.811 79.621 0.416 3.28 4 141.1 34.3
312 2 1 13 39.834 79.668 0.416 3.28 8 63.8 14.0
313 1 3 12 39.934 79.868 0.417 3.26 8 135.2 62.8
314 0 5 8 39.94 79.879 0.417 3.26 4 189.1 61.3
315 1 6 0 40.014 80.028 0.417 3.25 4 25.5 1.1
316 5 3 3 40.09 80.18 0.418 3.24 8 38.0 4.9
317 3 3 10 40.107 80.214 0.418 3.24 8 76.9 20.2
318 5 2 6 40.115 80.231 0.418 3.24 8 192.4 126.1
319 1 6 1 40.135 80.27 0.418 3.24 8 84.0 24.0
320 3 1 12 40.245 80.49 0.419 3.22 8 53.3 9.6
321 3 4 8 40.289 80.578 0.42 3.22 8 24.1 2.0
322 3 5 4 40.316 80.632 0.42 3.22 8 145.0 71.1
323 0 1 14 40.353 80.706 0.42 3.21 4 106.4 19.1
324 4 4 5 40.38 80.76 0.421 3.21 8 89.2 26.8
325 0 6 3 40.416 80.832 0.421 3.2 4 62.1 6.5
326 1 6 2 40.498 80.996 0.422 3.19 8 29.5 2.9
327 4 3 8 40.561 81.121 0.422 3.19 8 58.9 11.6
328 1 5 8 40.626 81.253 0.423 3.18 8 79.9 21.3
329 6 0 0 40.724 81.447 0.423 3.17 2 526.9 231.3
330 2 5 7 40.872 81.744 0.425 3.15 8 45.0 6.7
331 5 3 4 40.935 81.871 0.425 3.15 8 335.7 372.8
332 0 4 11 41.0 82.001 0.426 3.14 4 135.2 30.2
333 1 1 14 41.038 82.076 0.426 3.13 8 256.4 216.8
334 1 6 3 41.101 82.202 0.427 3.13 8 101.2 33.7
335 6 0 2 41.206 82.411 0.428 3.12 4 158.8 41.4
336 2 4 10 41.207 82.414 0.428 3.12 8 349.4 400.2
337 0 6 4 41.26 82.52 0.428 3.11 4 6.9 0.1
338 6 1 0 41.369 82.738 0.429 3.1 4 268.1 117.1
339 3 5 5 41.401 82.802 0.429 3.1 8 320.2 333.9
340 6 1 1 41.489 82.978 0.43 3.09 8 176.5 101.2
341 5 1 8 41.554 83.107 0.431 3.08 8 39.2 5.0
342 4 2 10 41.67 83.339 0.432 3.07 8 54.0 9.4
343 5 2 7 41.682 83.365 0.432 3.07 8 14.3 0.7
344 1 4 11 41.683 83.367 0.432 3.07 8 17.8 1.0
345 4 4 6 41.705 83.41 0.432 3.07 8 16.0 0.8
346 2 2 13 41.773 83.545 0.432 3.06 8 157.8 80.1
347 6 1 2 41.849 83.699 0.433 3.05 8 43.8 6.2
348 1 6 4 41.942 83.884 0.434 3.04 8 250.3 200.6
349 2 3 12 41.987 83.974 0.434 3.04 8 30.6 3.0
350 0 5 9 41.988 83.977 0.434 3.04 4 140.9 31.7
351 5 3 5 42.017 84.034 0.434 3.04 8 176.3 99.2
352 2 6 0 42.066 84.133 0.435 3.03 4 144.8 33.4
353 3 2 12 42.18 84.359 0.436 3.02 8 143.6 65.6
354 2 6 1 42.186 84.372 0.436 3.02 8 217.4 150.2
355 4 1 11 42.261 84.521 0.437 3.01 8 124.6 49.2
356 0 3 13 42.261 84.523 0.437 3.01 4 167.8 44.6
357 0 2 14 42.287 84.573 0.437 3.01 4 2.9 0.0
358 3 4 9 42.335 84.669 0.437 3.01 8 21.0 1.4
359 0 6 5 42.34 84.681 0.437 3.01 4 4.0 0.0
360 2 0 14 42.44 84.881 0.438 3.0 4 146.4 33.8
361 6 1 3 42.449 84.898 0.438 3.0 8 59.1 11.0
362 2 6 2 42.546 85.091 0.439 2.99 8 63.6 12.7
363 4 3 9 42.603 85.207 0.439 2.99 8 326.0 333.8
364 3 0 13 42.607 85.214 0.439 2.99 4 332.2 173.2
365 3 3 11 42.633 85.267 0.44 2.98 8 30.7 3.0
366 6 0 4 42.646 85.291 0.44 2.98 4 21.3 0.7
367 1 5 9 42.669 85.338 0.44 2.98 8 67.5 14.3
368 2 5 8 42.673 85.346 0.44 2.98 8 253.2 201.0
369 3 5 6 42.72 85.44 0.44 2.98 8 94.1 27.7
370 1 3 13 42.941 85.882 0.442 2.96 8 81.4 20.6
371 5 0 9 42.949 85.898 0.442 2.96 4 141.1 31.0
372 1 2 14 42.966 85.933 0.442 2.96 8 321.8 322.1
373 1 6 5 43.02 86.04 0.443 2.95 8 153.2 72.9
374 2 1 14 43.081 86.163 0.443 2.95 8 55.4 9.5
375 2 6 3 43.144 86.288 0.444 2.94 8 33.1 3.4
376 4 5 0 43.169 86.337 0.444 2.94 4 377.1 219.9
377 3 1 13 43.248 86.496 0.445 2.94 8 148.8 68.4
378 4 4 7 43.262 86.524 0.445 2.93 8 68.9 14.7
379 6 1 4 43.286 86.573 0.445 2.93 8 109.2 36.8
380 4 5 1 43.288 86.576 0.445 2.93 8 76.0 17.8
381 6 2 0 43.295 86.59 0.445 2.93 4 108.1 18.0
382 5 3 6 43.334 86.668 0.445 2.93 8 275.1 233.2
383 6 2 1 43.415 86.829 0.446 2.92 8 341.8 359.3
384 5 2 8 43.479 86.957 0.447 2.92 8 130.4 52.2
385 5 4 0 43.514 87.027 0.447 2.92 4 111.6 19.1
386 5 1 9 43.589 87.179 0.448 2.91 8 44.8 6.1
387 5 4 1 43.633 87.266 0.448 2.91 8 53.4 8.7
388 4 5 2 43.647 87.293 0.448 2.91 8 121.5 45.1
389 0 6 6 43.656 87.312 0.448 2.91 4 36.4 2.0
390 2 4 11 43.723 87.445 0.449 2.9 8 59.2 10.7
391 0 4 12 43.757 87.514 0.449 2.9 4 10.1 0.2
392 6 2 2 43.773 87.546 0.449 2.9 8 61.0 11.3
393 0 1 15 43.832 87.665 0.45 2.9 4 21.2 0.7
394 1 0 15 43.871 87.741 0.45 2.89 4 321.8 157.5
395 2 6 4 43.98 87.96 0.451 2.89 8 93.2 26.3
396 5 4 2 43.991 87.983 0.451 2.88 8 24.2 1.8
397 4 2 11 44.182 88.364 0.452 2.87 8 173.6 91.1
398 4 5 3 44.243 88.487 0.453 2.87 8 74.7 16.9
399 0 5 10 44.26 88.521 0.453 2.87 4 278.7 117.1
400 3 5 7 44.273 88.547 0.453 2.87 8 21.4 1.4
401 1 6 6 44.334 88.668 0.454 2.86 8 178.0 95.5
402 6 1 5 44.361 88.722 0.454 2.86 8 44.5 6.0
403 4 0 12 44.369 88.739 0.454 2.86 4 73.0 8.0
404 6 2 3 44.37 88.739 0.454 2.86 8 17.9 1.0
405 1 4 12 44.435 88.869 0.454 2.86 8 74.6 16.7
406 1 1 15 44.51 89.02 0.455 2.85 8 287.5 248.1
407 5 4 3 44.588 89.176 0.456 2.85 8 108.3 35.2
408 3 4 10 44.605 89.21 0.456 2.85 8 22.3 1.5
409 2 5 9 44.704 89.407 0.457 2.84 8 81.8 20.0
410 4 3 10 44.873 89.746 0.458 2.83 8 173.1 89.4
411 5 3 7 44.886 89.771 0.458 2.83 8 10.3 0.3
412 1 5 10 44.938 89.876 0.458 2.83 8 35.6 3.8
413 2 3 13 44.975 89.95 0.459 2.83 8 69.7 14.4
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 0 0 2 5.236 10.472 8.4405 4668.8 49.7 49.8 5.6
2 0 1 0 6.063 12.126 7.293 9387.3 100.0 100.0 5.6
3 0 1 1 6.607 13.214 6.69493 5610.6 59.8 59.7 5.6
4 1 0 1 6.772 13.544 6.53215 1513.6 16.1 16.1 5.6
5 1 1 0 8.719 17.438 5.08143 111.2 1.2 1.2 5.6
6 1 1 1 9.109 18.217 4.86576 549.9 5.9 5.8 5.6
7 0 1 3 9.956 19.913 4.45507 371.4 4.0 3.9 5.6
8 1 0 3 10.068 20.136 4.40612 1064.6 11.3 11.3 5.6
9 1 1 3 11.786 23.571 3.77128 1881.1 20.0 19.9 5.6
10 0 1 4 12.174 24.347 3.65275 818.5 8.7 8.6 5.6
11 0 2 1 12.481 24.961 3.56429 5435.0 57.9 57.4 5.6
12 2 0 0 12.56 25.121 3.542 3139.0 33.4 33.2 5.6
13 0 2 2 13.303 26.607 3.34746 98.7 1.1 1.0 5.6
14 2 0 2 13.641 27.283 3.26608 149.0 1.6 1.6 5.6
15 1 1 4 13.725 27.45 3.24657 3173.7 33.8 33.5 5.6
16 2 1 0 13.991 27.981 3.18611 4086.4 43.5 43.1 5.6
17 2 1 1 14.243 28.485 3.13084 2511.1 26.7 26.4 5.6
18 1 0 5 14.64 29.279 3.04776 4781.0 50.9 50.3 5.6
19 1 2 2 14.744 29.489 3.02657 169.8 1.8 1.8 5.6
20 2 1 2 14.976 29.952 2.98081 621.4 6.6 6.5 5.6
21 1 1 5 15.898 31.795 2.81208 5094.9 54.3 53.5 5.6
22 2 0 4 16.494 32.988 2.71308 220.7 2.4 2.3 5.6
23 0 1 6 17.064 34.129 2.62494 134.0 1.4 1.4 5.7
24 1 2 4 17.433 34.867 2.57105 1766.7 18.8 18.5 5.7
25 2 1 4 17.633 35.266 2.54283 221.6 2.4 2.3 5.7
26 2 2 1 17.854 35.708 2.51242 1216.1 13.0 12.7 5.7
27 1 1 6 18.237 36.474 2.4614 940.6 10.0 9.8 5.7
28 0 3 0 18.473 36.946 2.431 369.7 3.9 3.9 5.7
29 0 3 1 18.671 37.341 2.40618 631.6 6.7 6.6 5.7
30 0 3 2 19.253 38.506 2.33604 100.3 1.1 1.0 5.7
31 2 2 3 19.429 38.859 2.31561 234.9 2.5 2.5 5.7
32 1 3 0 19.572 39.145 2.29938 119.2 1.3 1.2 5.7
33 0 3 3 20.192 40.383 2.23164 131.0 1.4 1.4 5.7
34 3 1 1 20.237 40.474 2.22688 234.4 2.5 2.4 5.7
35 1 3 2 20.316 40.633 2.21853 137.6 1.5 1.4 5.7
36 2 0 6 20.465 40.931 2.20306 121.3 1.3 1.3 5.7
37 3 0 3 20.718 41.435 2.17738 1245.3 13.3 13.0 5.7
38 1 2 6 21.253 42.507 2.12496 959.3 10.2 10.0 5.7
39 0 0 8 21.41 42.82 2.11013 737.7 7.9 7.7 5.7
40 3 1 3 21.666 43.332 2.08638 123.2 1.3 1.3 5.7
41 0 1 8 22.334 44.669 2.02699 185.8 2.0 1.9 5.7
42 1 3 4 22.426 44.852 2.01913 1696.2 18.1 17.6 5.7
43 0 2 7 22.516 45.032 2.01148 181.8 1.9 1.9 5.7
44 2 3 0 22.601 45.201 2.00434 299.3 3.2 3.1 5.7
45 2 3 1 22.768 45.537 1.99035 1590.2 16.9 16.5 5.7
46 3 1 4 22.857 45.714 1.98305 699.4 7.5 7.2 5.7
47 0 3 5 22.982 45.965 1.9728 121.9 1.3 1.3 5.7
48 3 0 5 23.458 46.916 1.93502 2231.1 23.8 23.1 5.7
49 3 2 2 23.528 47.056 1.92956 103.3 1.1 1.1 5.7
50 1 3 5 23.91 47.821 1.90048 522.3 5.6 5.4 5.7
51 3 1 5 24.321 48.642 1.87031 1122.1 12.0 11.6 5.7
52 0 4 0 24.991 49.982 1.82325 764.8 8.1 7.9 5.7
53 0 1 9 25.09 50.179 1.81655 311.7 3.3 3.2 5.7
54 0 4 1 25.146 50.293 1.81271 602.0 6.4 6.2 5.8
55 3 2 4 25.427 50.853 1.79404 1906.2 20.3 19.6 5.8
56 1 3 6 25.635 51.27 1.78042 953.8 10.2 9.8 5.8
57 4 0 0 25.782 51.563 1.771 524.5 5.6 5.4 5.8
58 1 2 8 25.82 51.64 1.76854 178.3 1.9 1.8 5.8
59 2 1 8 25.966 51.932 1.75928 506.9 5.4 5.2 5.8
60 3 1 6 26.026 52.051 1.75554 254.0 2.7 2.6 5.8
61 4 1 0 26.589 53.177 1.72098 583.0 6.2 6.0 5.8
62 4 1 1 26.737 53.475 1.71211 405.3 4.3 4.2 5.8
63 3 2 5 26.785 53.571 1.70927 104.9 1.1 1.1 5.8
64 0 0 10 27.149 54.297 1.6881 560.8 6.0 5.8 5.8
65 1 4 3 27.208 54.415 1.68471 256.0 2.7 2.6 5.8
66 0 2 9 27.504 55.008 1.66795 718.6 7.7 7.4 5.8
67 0 1 10 27.928 55.856 1.64462 258.7 2.8 2.6 5.8
68 1 4 4 28.222 56.444 1.62888 120.3 1.3 1.2 5.8
69 3 2 6 28.384 56.768 1.62034 1335.9 14.2 13.7 5.8
70 2 1 9 28.46 56.92 1.61637 542.9 5.8 5.5 5.8
71 4 2 0 28.916 57.832 1.59306 111.0 1.2 1.1 5.8
72 4 2 1 29.056 58.113 1.58601 516.6 5.5 5.3 5.8
73 3 3 4 29.342 58.684 1.57193 458.4 4.9 4.7 5.8
74 1 4 5 29.492 58.984 1.56465 1193.5 12.7 12.2 5.8
75 4 2 3 30.167 60.335 1.53281 109.2 1.2 1.1 5.8
76 2 0 10 30.363 60.726 1.52388 485.1 5.2 4.9 5.8
77 3 3 5 30.583 61.166 1.51396 351.3 3.7 3.6 5.8
78 2 2 9 30.694 61.388 1.50901 575.3 6.1 5.8 5.8
79 2 1 10 31.09 62.181 1.49166 699.9 7.5 7.1 5.8
80 0 3 9 31.245 62.49 1.48502 244.8 2.6 2.5 5.8
81 0 5 0 31.877 63.754 1.4586 175.4 1.9 1.8 5.9
82 0 4 7 31.981 63.961 1.45437 128.5 1.4 1.3 5.9
83 3 3 6 32.061 64.121 1.45113 191.9 2.0 1.9 5.9
84 3 1 9 32.343 64.687 1.4398 99.4 1.1 1.0 5.9
85 4 3 0 32.556 65.111 1.43143 102.0 1.1 1.0 5.9
86 4 3 1 32.687 65.374 1.42631 465.5 5.0 4.7 5.9
87 3 4 2 32.786 65.572 1.42249 95.0 1.0 1.0 5.9
88 0 2 11 32.995 65.99 1.41448 131.5 1.4 1.3 5.9
89 3 4 3 33.438 66.876 1.39789 236.6 2.5 2.4 5.9
90 0 3 10 33.747 67.494 1.38658 176.0 1.9 1.8 5.9
91 1 5 3 33.799 67.598 1.3847 206.0 2.2 2.1 5.9
92 2 1 11 33.857 67.714 1.38261 101.4 1.1 1.0 5.9
93 0 4 8 33.941 67.882 1.3796 209.5 2.2 2.1 5.9
94 2 3 9 34.225 68.45 1.36953 661.0 7.0 6.6 5.9
95 3 4 4 34.34 68.68 1.3655 223.4 2.4 2.2 5.9
96 4 0 8 34.599 69.198 1.35654 167.9 1.8 1.7 5.9
97 5 1 3 34.786 69.571 1.35017 135.6 1.4 1.4 5.9
98 2 5 0 34.828 69.657 1.34872 425.6 4.5 4.3 5.9
99 4 1 8 35.28 70.559 1.33366 148.4 1.6 1.5 5.9
100 2 5 2 35.336 70.671 1.33182 101.0 1.1 1.0 5.9
101 3 4 5 35.484 70.968 1.32699 855.7 9.1 8.5 5.9
102 5 1 4 35.672 71.343 1.32092 388.3 4.1 3.9 5.9
103 1 5 5 35.835 71.671 1.31569 695.5 7.4 6.9 5.9
104 0 4 9 36.099 72.198 1.30737 108.6 1.2 1.1 5.9
105 5 0 5 36.129 72.258 1.30643 281.2 3.0 2.8 5.9
106 2 3 10 36.625 73.25 1.29117 164.3 1.8 1.6 6.0
107 5 1 5 36.798 73.595 1.28596 752.2 8.0 7.5 6.0
108 3 4 6 36.861 73.722 1.28406 138.4 1.5 1.4 6.0
109 1 0 13 37.09 74.181 1.27726 143.0 1.5 1.4 6.0
110 4 4 0 37.326 74.652 1.27036 300.9 3.2 3.0 6.0
111 4 1 9 37.404 74.809 1.26808 227.5 2.4 2.3 6.0
112 5 2 4 37.674 75.347 1.26035 220.5 2.3 2.2 6.0
113 1 1 13 37.753 75.505 1.25811 197.3 2.1 2.0 6.0
114 5 1 6 38.157 76.313 1.24678 128.8 1.4 1.3 6.0
115 0 4 10 38.451 76.903 1.23869 287.4 3.1 2.8 6.0
116 4 0 10 39.078 78.157 1.22192 274.2 2.9 2.7 6.0
117 2 3 11 39.21 78.419 1.21849 178.9 1.9 1.8 6.0
118 4 2 9 39.374 78.749 1.21421 381.5 4.1 3.8 6.0
119 0 6 1 39.446 78.893 1.21236 132.0 1.4 1.3 6.0
120 5 1 7 39.743 79.486 1.2048 365.0 3.9 3.6 6.0
121 1 3 12 39.934 79.868 1.19999 124.1 1.3 1.2 6.0
122 5 2 6 40.115 80.231 1.19548 175.3 1.9 1.7 6.0
123 6 0 0 40.724 81.447 1.18067 231.3 2.5 2.3 6.1
124 5 3 4 40.935 81.871 1.17563 372.8 4.0 3.6 6.1
125 1 1 14 41.038 82.076 1.17321 216.8 2.3 2.1 6.1
126 2 4 10 41.207 82.414 1.16925 441.5 4.7 4.3 6.1
127 6 1 0 41.369 82.738 1.16549 117.1 1.2 1.1 6.1
128 3 5 5 41.401 82.802 1.16476 333.9 3.6 3.3 6.1
129 6 1 1 41.489 82.978 1.16272 101.2 1.1 1.0 6.1
130 1 6 4 41.942 83.884 1.15246 200.6 2.1 1.9 6.1
131 5 3 5 42.017 84.034 1.15078 134.0 1.4 1.3 6.1
132 2 6 1 42.186 84.372 1.14703 215.7 2.3 2.1 6.1
133 4 1 11 42.261 84.521 1.14539 93.9 1.0 0.9 6.1
134 4 3 9 42.603 85.207 1.13792 510.0 5.4 4.9 6.1
135 2 5 8 42.673 85.346 1.13642 215.2 2.3 2.1 6.1
136 1 2 14 42.966 85.933 1.13016 373.7 4.0 3.6 6.1
137 4 5 0 43.169 86.337 1.1259 223.3 2.4 2.2 6.1
138 5 3 6 43.334 86.668 1.12245 233.2 2.5 2.3 6.1
139 6 2 1 43.415 86.829 1.12078 359.3 3.8 3.5 6.1
140 1 0 15 43.871 87.741 1.11146 157.5 1.7 1.5 6.2
141 0 5 10 44.26 88.521 1.10368 135.4 1.4 1.3 6.2
142 1 6 6 44.334 88.668 1.10223 101.4 1.1 1.0 6.2
143 1 1 15 44.51 89.02 1.09877 248.1 2.6 2.4 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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