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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THOMSENOLITE
2, f-thomsenolite
NaCaAlF(6).H(2)O
Monoclinic P 2(1)/c Z = 4
P2(1)/c
22 .7 .15
Ref.Str.:
Adhikesavalu D., Cameron T.S., Knop O. (1967)
* Canad. J. Chem., 65, 3322-3327
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.563 alpha = 90.0
b = 5.541 beta = 96.35
c = 16.115 gamma = 90.0
Unit cell volume (cub. angs.) = 493.69
Molar volume ( cub.cm/mol.) = 74.34
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1894 0.6745 0.099 0.0 Ca = 1.00
2 0.7177 0.1796 0.1391 0.0 Al = 1.00
3 0.2545 0.1454 0.2484 0.0 Na = 1.00
4 0.5496 0.4643 0.1267 0.0 F = 1.00
5 0.988 0.3651 0.1563 0.0 F = 1.00
6 0.4408 0.0102 0.1273 0.0 F = 1.00
7 0.9039 0.9166 0.1576 0.0 F = 1.00
8 0.6873 0.1985 0.2497 0.0 F = 1.00
9 0.7357 0.1668 0.0294 0.0 F = 1.00
10 0.8008 0.6599 0.0059 0.0 H(2)O = 1.00
11 0.735 0.622 0.0583 0.0 H = 1.00
12 0.749 0.8216 0.9873 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1894 0.6745 0.099
2 2 0.7177 0.1796 0.1391
3 3 0.2545 0.1454 0.2484
4 4 0.5496 0.4643 0.1267
5 5 0.988 0.3651 0.1563
6 6 0.4408 0.0102 0.1273
7 7 0.9039 0.9166 0.1576
8 8 0.6873 0.1985 0.2497
9 9 0.7357 0.1668 0.0294
10 10 0.8008 0.6599 0.0059
11 11 0.735 0.622 0.0583
12 12 0.749 0.8216 0.9873
13 1 0.8106 0.1745 0.401
14 2 0.2823 0.6796 0.3609
15 3 0.7455 0.6454 0.2516
16 4 0.4504 0.9643 0.3733
17 5 0.012 0.8651 0.3437
18 6 0.5592 0.5102 0.3727
19 7 0.0961 0.4166 0.3424
20 8 0.3127 0.6985 0.2503
21 9 0.2643 0.6668 0.4706
22 10 0.1992 0.1599 0.4941
23 11 0.265 0.122 0.4417
24 12 0.251 0.3216 0.5127
25 1 0.1894 0.8255 0.599
26 2 0.7177 0.3204 0.6391
27 3 0.2545 0.3546 0.7484
28 4 0.5496 0.0357 0.6267
29 5 0.988 0.1349 0.6563
30 6 0.4408 0.4898 0.6273
31 7 0.9039 0.5834 0.6576
32 8 0.6873 0.3015 0.7497
33 9 0.7357 0.3332 0.5294
34 10 0.8008 0.8401 0.5059
35 11 0.735 0.878 0.5583
36 12 0.749 0.6784 0.4873
37 1 0.8106 0.3255 0.901
38 2 0.2823 0.8204 0.8609
39 3 0.7455 0.8546 0.7516
40 4 0.4504 0.5357 0.8733
41 5 0.012 0.6349 0.8437
42 6 0.5592 0.9898 0.8727
43 7 0.0961 0.0834 0.8424
44 8 0.3127 0.8015 0.7503
45 9 0.2643 0.8332 0.9706
46 10 0.1992 0.3401 0.9941
47 11 0.265 0.378 0.9417
48 12 0.251 0.1784 0.0127
X-ray density (g/cm cub.) = 3.01
MU (1/cm) = 142.213 Mass attenuation coefficient (cm**2/g) = 47.189
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.048 8
2.318 4
2.2969 5
2.3415 6
2.3549 7
2.4927 10
2.4623 8
2.3279 9
2.5128 10
2 Al 2.484 6
1.8335 4
1.8172 5
1.7959 6
1.7937 7
1.8119 8
1.7831 9
3 Na 2.976 8
2.3229 5
2.4272 6
2.6308 7
2.4234 8
2.4001 4
2.655 5
2.3716 7
2.4971 8
4 F 3.396 10
2.494 5
3.2588 5
3.085 6
2.5882 6
3.1932 7
2.5197 8
2.5704 9
2.742 10
2.8229 8
2.8139 10
5 F 3.396 11
3.2588 4
2.494 4
3.2697 6
3.0919 7
2.5293 7
2.5442 8
2.5931 9
3.0114 10
3.0064 7
2.8922 8
2.9852 10
6 F 3.396 10
2.5882 4
3.085 4
3.2697 5
2.6203 7
3.1226 7
2.5023 8
2.5506 9
2.7807 8
2.7846 9
3.0195 10
7 F 3.396 10
3.1932 4
2.5293 5
3.0919 5
3.1226 6
2.6203 6
2.5476 8
2.5764 9
2.8317 10
3.0063 5
2.8482 8
8 F 3.396 8
2.5197 4
2.5442 5
2.5023 6
2.5476 7
2.8229 4
2.8922 5
2.7807 6
2.8482 7
9 F 3.396 10
2.5704 4
2.5931 5
2.5506 6
2.5764 7
2.7875 10
2.8625 10
2.7846 6
3.2622 9
2.8668 10
3.1269 10
10 H(2)O 3.6 12
2.742 4
3.0114 5
3.5316 6
2.8317 7
2.8625 9
2.7875 9
2.8139 4
2.9852 5
3.0195 6
2.8668 9
3.1269 9
2.8603 10
11 H 1.8 1
0.9796 10
12 H 1.8 1
0.978 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 0 0 2 5.52 11.039 0.062 213.19 2 20.6 74.1
2 1 0 0 8.008 16.017 0.09 100.09 2 7.0 4.0
3 0 1 1 8.459 16.918 0.095 89.49 4 9.5 13.3
4 1 0 -2 9.225 18.449 0.104 74.9 2 6.9 2.9
5 0 1 2 9.732 19.465 0.11 67.07 4 6.6 4.9
6 1 0 2 10.244 20.488 0.115 60.33 2 22.0 23.9
7 0 0 4 11.091 22.183 0.125 51.14 2 78.4 257.8
8 1 1 0 11.351 22.701 0.128 48.74 4 86.2 595.0
9 1 1 -1 11.473 22.947 0.129 47.66 4 31.4 77.3
10 0 1 3 11.558 23.116 0.13 46.93 4 15.8 19.3
11 1 1 1 11.901 23.803 0.134 44.14 4 1.9 0.3
12 1 1 -2 12.25 24.501 0.138 41.55 4 12.9 11.3
13 1 0 -4 12.985 25.97 0.146 36.75 2 38.1 43.9
14 1 1 2 13.045 26.091 0.147 36.4 4 43.1 111.2
15 1 1 -3 13.577 27.153 0.152 33.45 4 41.4 94.2
16 0 1 4 13.73 27.46 0.154 32.66 4 40.8 89.4
17 1 0 4 14.459 28.919 0.162 29.25 2 35.6 30.5
18 1 1 3 14.654 29.308 0.164 28.43 4 39.7 73.5
19 1 1 -4 15.321 30.642 0.172 25.84 4 94.5 379.0
20 0 1 5 16.127 32.253 0.18 23.14 4 22.9 19.9
21 0 2 0 16.143 32.285 0.18 23.09 2 53.0 53.2
22 2 0 0 16.179 32.358 0.181 22.98 2 104.5 206.1
23 0 2 1 16.389 32.778 0.183 22.35 4 58.7 126.2
24 2 0 -2 16.531 33.063 0.185 21.93 2 6.8 0.8
25 1 1 4 16.606 33.211 0.186 21.72 4 56.4 113.4
26 0 0 6 16.772 33.544 0.187 21.26 2 0.4 0.0
27 0 2 2 17.109 34.219 0.191 20.35 4 5.8 1.1
28 1 1 -5 17.372 34.745 0.194 19.69 4 25.6 21.2
29 2 0 2 17.738 35.476 0.198 18.81 2 41.5 26.5
30 1 0 -6 17.833 35.666 0.199 18.59 2 15.4 3.6
31 2 1 -1 18.08 36.16 0.201 18.04 4 43.7 56.5
32 1 2 0 18.118 36.237 0.202 17.96 4 41.5 50.8
33 2 1 0 18.143 36.286 0.202 17.9 4 21.2 13.1
34 1 2 -1 18.199 36.398 0.203 17.78 4 21.4 13.4
35 0 2 3 18.254 36.509 0.203 17.67 4 13.0 4.9
36 2 1 -2 18.462 36.925 0.206 17.23 4 37.4 39.6
37 1 2 1 18.483 36.966 0.206 17.19 4 46.5 60.9
38 2 1 1 18.648 37.296 0.208 16.86 4 36.8 37.5
39 0 1 6 18.681 37.363 0.208 16.79 4 7.1 1.4
40 2 0 -4 18.7 37.4 0.208 16.75 2 50.1 34.5
41 1 2 -2 18.719 37.439 0.208 16.71 4 23.3 14.9
42 1 1 5 18.811 37.622 0.209 16.54 4 10.9 3.2
43 2 1 -3 19.268 38.536 0.214 15.68 4 26.8 18.4
44 1 2 2 19.271 38.542 0.214 15.68 4 10.4 2.8
45 1 0 6 19.513 39.026 0.217 15.25 2 56.7 40.2
46 2 1 2 19.565 39.131 0.217 15.16 4 1.4 0.1
47 1 2 -3 19.65 39.3 0.218 15.01 4 60.9 91.3
48 1 1 -6 19.653 39.306 0.218 15.01 4 16.1 6.4
49 0 2 4 19.761 39.522 0.219 14.83 4 56.1 76.5
50 1 2 3 20.441 40.883 0.227 13.75 4 25.9 15.2
51 2 1 -4 20.454 40.908 0.227 13.73 4 24.2 13.2
52 2 0 4 20.835 41.67 0.231 13.18 2 125.7 170.9
53 2 1 3 20.85 41.699 0.231 13.16 4 55.7 67.0
54 1 2 -4 20.945 41.891 0.232 13.02 4 39.0 32.5
55 1 1 6 21.211 42.421 0.235 12.66 4 46.4 44.8
56 0 1 7 21.36 42.72 0.236 12.46 4 21.3 9.3
57 0 2 5 21.567 43.135 0.239 12.2 4 93.6 175.2
58 1 2 4 21.944 43.887 0.243 11.73 4 61.0 71.6
59 2 1 -5 21.97 43.94 0.243 11.7 4 25.9 12.9
60 1 1 -7 22.113 44.225 0.244 11.53 4 15.9 4.8
61 2 0 -6 22.229 44.459 0.246 11.39 2 50.5 23.9
62 2 1 4 22.45 44.9 0.248 11.14 4 45.2 37.4
63 1 2 -5 22.555 45.11 0.249 11.03 4 90.0 146.4
64 0 0 8 22.628 45.257 0.25 10.95 2 161.0 232.8
65 2 2 -1 23.129 46.257 0.255 10.42 4 142.0 344.7
66 2 2 0 23.18 46.36 0.256 10.36 4 117.6 235.4
67 1 0 -8 23.231 46.463 0.256 10.31 2 163.0 224.9
68 2 2 -2 23.442 46.884 0.258 10.1 4 42.3 29.6
69 2 2 1 23.595 47.19 0.26 9.96 4 78.7 101.3
70 0 2 6 23.623 47.245 0.26 9.93 4 38.0 23.6
71 1 2 5 23.73 47.46 0.261 9.83 4 23.3 8.7
72 2 1 -6 23.769 47.538 0.262 9.79 4 58.1 54.3
73 1 1 7 23.769 47.538 0.262 9.79 4 9.0 1.3
74 2 2 -3 24.11 48.22 0.265 9.48 4 14.8 3.4
75 0 1 8 24.148 48.296 0.266 9.45 4 84.1 109.8
76 2 1 5 24.32 48.641 0.267 9.29 4 50.8 39.3
77 2 2 2 24.359 48.719 0.268 9.26 4 40.4 24.8
78 1 2 -6 24.433 48.866 0.268 9.2 4 14.0 3.0
79 3 0 0 24.706 49.412 0.271 8.97 2 19.2 2.7
80 1 1 -8 24.723 49.445 0.271 8.95 4 35.3 18.3
81 3 0 -2 24.733 49.466 0.272 8.95 2 62.6 28.8
82 0 3 1 24.822 49.645 0.273 8.87 4 28.6 11.9
83 2 0 6 25.007 50.013 0.274 8.72 2 85.3 52.0
84 1 0 8 25.052 50.104 0.275 8.69 2 62.3 27.7
85 2 2 -4 25.111 50.222 0.275 8.64 4 35.9 18.3
86 0 3 2 25.34 50.68 0.278 8.47 4 7.4 0.8
87 2 2 3 25.449 50.898 0.279 8.38 4 63.3 55.1
88 1 2 6 25.759 51.519 0.282 8.16 4 2.5 0.1
89 2 1 -7 25.809 51.619 0.283 8.12 4 0.4 0.0
90 0 2 7 25.889 51.777 0.283 8.06 4 78.8 82.1
91 3 1 -1 25.979 51.958 0.284 8.0 4 38.3 19.3
92 3 0 2 26.048 52.097 0.285 7.95 2 48.0 15.0
93 1 3 0 26.085 52.169 0.285 7.93 4 48.6 30.7
94 3 0 -4 26.127 52.253 0.286 7.9 2 55.2 19.7
95 3 1 0 26.134 52.268 0.286 7.89 4 39.1 19.8
96 1 3 -1 26.145 52.29 0.286 7.88 4 84.7 92.9
97 3 1 -2 26.16 52.32 0.286 7.87 4 50.6 33.0
98 0 3 3 26.187 52.373 0.286 7.86 4 8.2 0.9
99 1 3 1 26.359 52.718 0.288 7.74 4 17.7 4.0
100 2 2 -5 26.418 52.835 0.289 7.7 4 25.5 8.2
101 2 1 6 26.423 52.846 0.289 7.7 4 16.7 3.5
102 1 1 8 26.467 52.933 0.289 7.67 4 2.8 0.1
103 1 3 -2 26.538 53.076 0.29 7.62 4 6.1 0.5
104 1 2 -7 26.542 53.083 0.29 7.62 4 11.3 1.6
105 3 1 1 26.62 53.241 0.291 7.57 4 10.2 1.3
106 3 1 -3 26.672 53.344 0.291 7.53 4 67.1 55.6
107 2 0 -8 26.705 53.41 0.292 7.51 2 105.3 68.4
108 2 2 4 26.837 53.673 0.293 7.43 4 29.9 10.9
109 1 3 2 26.961 53.921 0.294 7.35 4 39.9 19.2
110 0 1 9 27.041 54.081 0.295 7.3 4 28.3 9.6
111 1 3 -3 27.254 54.508 0.297 7.17 4 66.4 51.9
112 0 3 4 27.34 54.681 0.298 7.12 4 11.3 1.5
113 3 1 2 27.426 54.853 0.299 7.07 4 88.8 91.6
114 1 1 -9 27.468 54.936 0.299 7.05 4 0.5 0.0
115 3 1 -4 27.502 55.004 0.3 7.03 4 60.1 41.6
116 1 3 3 27.875 55.75 0.303 6.81 4 101.3 114.7
117 2 2 -6 28.001 56.003 0.305 6.74 4 11.0 1.3
118 1 2 7 28.001 56.003 0.305 6.74 4 74.4 61.2
119 2 1 -8 28.061 56.122 0.305 6.71 4 70.5 54.8
120 1 3 -4 28.276 56.553 0.308 6.6 4 0.2 0.0
121 0 2 8 28.339 56.679 0.308 6.56 4 16.7 3.0
122 2 2 5 28.494 56.987 0.31 6.48 4 30.6 9.9
123 3 1 3 28.534 57.067 0.31 6.46 4 41.4 18.1
124 3 0 4 28.623 57.246 0.311 6.42 2 27.0 3.8
125 3 1 -5 28.631 57.263 0.311 6.41 4 49.7 26.0
126 2 1 7 28.73 57.46 0.312 6.36 4 40.0 16.7
127 3 0 -6 28.745 57.49 0.312 6.36 2 38.3 7.7
128 0 0 10 28.747 57.494 0.312 6.36 2 56.0 16.4
129 0 3 5 28.777 57.555 0.312 6.34 4 34.6 12.5
130 1 2 -8 28.854 57.709 0.313 6.3 4 13.2 1.8
131 1 0 -10 29.057 58.115 0.315 6.2 2 27.9 4.0
132 1 3 4 29.083 58.166 0.316 6.19 4 11.5 1.3
133 1 1 9 29.296 58.591 0.318 6.09 4 18.8 3.5
134 1 3 -5 29.585 59.17 0.32 5.96 4 41.0 16.4
135 2 2 -7 29.836 59.672 0.323 5.84 4 29.9 8.6
136 3 1 4 29.921 59.842 0.324 5.81 4 38.0 13.8
137 2 0 8 29.96 59.919 0.324 5.79 2 11.7 0.6
138 3 2 -1 29.99 59.981 0.324 5.78 4 46.2 20.2
139 3 1 -6 30.04 60.08 0.325 5.76 4 48.0 21.8
140 0 1 10 30.042 60.083 0.325 5.76 4 39.5 14.8
141 2 3 -1 30.06 60.121 0.325 5.75 4 11.0 1.1
142 2 3 0 30.103 60.207 0.326 5.73 4 15.1 2.2
143 3 2 0 30.131 60.263 0.326 5.72 4 21.8 4.4
144 3 2 -2 30.155 60.31 0.326 5.71 4 16.0 2.4
145 2 3 -2 30.322 60.645 0.328 5.64 4 13.8 1.8
146 1 1 -10 30.344 60.688 0.328 5.63 4 4.0 0.2
147 2 2 6 30.395 60.79 0.328 5.61 4 33.0 10.0
148 1 2 8 30.435 60.87 0.329 5.59 4 72.1 47.7
149 2 3 1 30.451 60.901 0.329 5.58 4 26.2 6.3
150 0 3 6 30.474 60.948 0.329 5.58 4 11.1 1.1
151 2 1 -9 30.503 61.006 0.329 5.56 4 16.5 2.5
152 1 3 5 30.564 61.128 0.33 5.54 4 24.3 5.4
153 3 2 1 30.576 61.151 0.33 5.53 4 35.1 11.2
154 3 2 -3 30.623 61.245 0.331 5.52 4 19.9 3.6
155 2 3 -3 30.885 61.769 0.333 5.41 4 10.9 1.0
156 0 2 9 30.961 61.921 0.334 5.38 4 35.3 11.0
157 1 0 10 31.018 62.035 0.334 5.36 2 42.7 8.0
158 2 3 2 31.096 62.192 0.335 5.33 4 22.7 4.5
159 1 3 -6 31.159 62.317 0.336 5.31 4 23.7 4.9
160 2 1 8 31.223 62.447 0.336 5.28 4 24.3 5.1
161 3 2 2 31.315 62.63 0.337 5.25 4 42.0 15.2
162 1 2 -9 31.353 62.707 0.338 5.23 4 43.6 16.3
163 3 2 -4 31.385 62.769 0.338 5.22 4 12.9 1.4
164 3 1 5 31.569 63.137 0.34 5.16 4 10.6 0.9
165 3 1 -7 31.707 63.414 0.341 5.11 4 20.2 3.4
166 2 3 -4 31.738 63.476 0.341 5.1 4 15.6 2.0
167 2 2 -8 31.901 63.802 0.343 5.04 4 70.4 41.0
168 2 0 -10 31.903 63.807 0.343 5.04 2 9.0 0.3
169 2 3 3 32.029 64.059 0.344 5.0 4 42.1 14.6
170 3 0 6 32.243 64.486 0.346 4.92 2 14.1 0.8
171 1 1 10 32.257 64.515 0.346 4.92 4 20.7 3.5
172 1 3 6 32.298 64.596 0.347 4.91 4 1.4 0.0
173 3 2 3 32.339 64.678 0.347 4.89 4 52.3 22.0
174 3 0 -8 32.403 64.805 0.348 4.87 2 26.4 2.8
175 0 3 7 32.41 64.819 0.348 4.87 4 19.8 3.1
176 3 2 -5 32.43 64.86 0.348 4.86 4 10.7 0.9
177 2 2 7 32.521 65.043 0.349 4.83 4 34.2 9.3
178 2 3 -5 32.871 65.741 0.352 4.72 4 41.8 13.6
179 1 3 -7 32.979 65.958 0.353 4.69 4 13.2 1.3
180 1 2 9 33.049 66.097 0.354 4.67 4 16.9 2.2
181 2 1 -10 33.125 66.25 0.355 4.65 4 14.1 1.5
182 0 1 11 33.161 66.322 0.355 4.64 4 41.4 13.0
183 2 3 4 33.238 66.476 0.356 4.61 4 28.1 6.0
184 1 1 -11 33.355 66.71 0.357 4.58 4 12.1 1.1
185 3 1 6 33.458 66.916 0.358 4.55 4 13.9 1.5
186 3 1 -8 33.615 67.229 0.359 4.51 4 2.9 0.1
187 3 2 4 33.634 67.267 0.36 4.5 4 9.8 0.7
188 4 0 -2 33.706 67.413 0.36 4.48 2 87.5 28.2
189 3 2 -6 33.745 67.49 0.361 4.47 4 13.0 1.2
190 0 2 10 33.747 67.493 0.361 4.47 4 3.9 0.1
191 0 4 0 33.784 67.567 0.361 4.46 2 52.7 10.2
192 4 0 0 33.868 67.736 0.362 4.43 2 78.9 22.6
193 2 1 9 33.895 67.79 0.362 4.43 4 21.9 3.5
194 0 4 1 33.927 67.854 0.362 4.42 4 92.9 62.5
195 1 2 -10 34.031 68.061 0.363 4.39 4 6.1 0.3
196 2 2 -9 34.18 68.36 0.365 4.35 4 62.2 27.6
197 2 3 -6 34.268 68.537 0.365 4.33 4 32.3 7.4
198 1 3 7 34.268 68.537 0.365 4.33 4 40.5 11.7
199 0 4 2 34.355 68.71 0.366 4.31 4 4.8 0.2
200 0 3 8 34.57 69.14 0.368 4.25 4 18.1 2.3
201 4 0 -4 34.686 69.372 0.369 4.22 2 1.4 0.0
202 2 3 5 34.708 69.416 0.37 4.22 4 9.8 0.7
203 4 1 -1 34.834 69.668 0.371 4.18 4 32.4 7.2
204 2 2 8 34.86 69.719 0.371 4.18 4 59.3 24.1
205 4 1 -2 34.896 69.791 0.371 4.17 4 25.9 4.6
206 1 4 0 34.977 69.954 0.372 4.15 4 54.6 20.3
207 1 4 -1 35.028 70.055 0.373 4.14 4 16.9 1.9
208 1 3 -8 35.032 70.064 0.373 4.14 4 29.7 6.0
209 4 1 0 35.055 70.109 0.373 4.13 4 6.5 0.3
210 0 4 3 35.063 70.125 0.373 4.13 4 41.2 11.5
211 4 0 2 35.163 70.326 0.374 4.11 2 69.3 16.2
212 3 2 5 35.186 70.372 0.374 4.1 4 29.5 5.8
213 1 4 1 35.208 70.416 0.374 4.1 4 20.5 2.8
214 4 1 -3 35.239 70.478 0.375 4.09 4 13.4 1.2
215 0 0 12 35.249 70.498 0.375 4.09 2 36.0 4.4
216 3 2 -7 35.317 70.634 0.375 4.07 4 45.6 13.9
217 1 0 -12 35.347 70.695 0.376 4.06 2 106.9 38.1
218 1 4 -2 35.359 70.719 0.376 4.06 4 12.2 1.0
219 1 1 11 35.361 70.721 0.376 4.06 4 3.9 0.1
220 4 1 1 35.555 71.11 0.377 4.02 4 23.7 3.7
221 3 1 7 35.576 71.153 0.378 4.01 4 12.5 1.0
222 2 0 10 35.583 71.166 0.378 4.01 2 15.0 0.7
223 1 4 2 35.719 71.437 0.379 3.98 4 1.5 0.0
224 3 1 -9 35.75 71.501 0.379 3.97 4 47.4 14.6
225 1 2 10 35.84 71.68 0.38 3.95 4 44.3 12.7
226 4 1 -4 35.861 71.721 0.38 3.95 4 29.8 5.7
227 2 3 -7 35.919 71.839 0.381 3.94 4 31.2 6.3
228 2 1 -11 35.924 71.848 0.381 3.94 4 26.1 4.4
229 1 4 -3 35.969 71.939 0.381 3.93 4 8.6 0.5
230 0 4 4 36.043 72.086 0.382 3.91 4 23.5 3.5
231 3 3 -1 36.06 72.119 0.382 3.91 4 45.9 13.5
232 3 3 0 36.188 72.376 0.383 3.88 4 13.8 1.2
233 3 3 -2 36.21 72.419 0.383 3.88 4 10.9 0.8
234 4 1 2 36.331 72.662 0.385 3.85 4 50.5 16.1
235 0 1 12 36.415 72.831 0.385 3.83 4 55.5 19.4
236 2 3 6 36.428 72.857 0.385 3.83 4 1.7 0.0
237 1 3 8 36.465 72.93 0.386 3.82 4 15.4 1.5
238 1 4 3 36.504 73.007 0.386 3.82 4 16.7 1.7
239 1 1 -12 36.513 73.025 0.386 3.81 4 38.9 9.5
240 3 3 1 36.593 73.187 0.387 3.8 4 48.6 14.7
241 3 3 -3 36.636 73.273 0.387 3.79 4 36.6 8.3
242 2 2 -10 36.667 73.334 0.388 3.78 4 14.4 1.3
243 0 2 11 36.701 73.403 0.388 3.78 4 24.6 3.7
244 2 1 10 36.745 73.49 0.388 3.77 4 71.3 31.4
245 4 1 -5 36.754 73.509 0.388 3.77 4 30.7 5.8
246 4 0 -6 36.766 73.532 0.389 3.76 2 43.3 5.8
247 3 0 8 36.768 73.536 0.389 3.76 2 38.6 4.6
248 1 4 -4 36.851 73.703 0.389 3.75 4 33.0 6.7
249 1 2 -11 36.887 73.774 0.39 3.74 4 2.8 0.0
250 0 3 9 36.946 73.893 0.39 3.73 4 32.4 6.4
251 3 0 -10 36.961 73.922 0.39 3.73 2 46.2 6.5
252 3 2 6 36.985 73.971 0.391 3.72 4 12.5 0.9
253 3 2 -8 37.135 74.271 0.392 3.69 4 59.5 21.4
254 3 3 2 37.273 74.545 0.393 3.67 4 1.2 0.0
255 0 4 5 37.288 74.577 0.393 3.67 4 1.3 0.0
256 1 3 -9 37.308 74.615 0.393 3.66 4 15.5 1.4
257 3 3 -4 37.337 74.673 0.394 3.66 4 0.7 0.0
258 4 1 3 37.375 74.75 0.394 3.65 4 25.7 4.0
259 2 2 9 37.404 74.808 0.394 3.65 4 69.2 28.7
260 1 0 12 37.481 74.962 0.395 3.63 2 9.7 0.3
261 4 0 4 37.541 75.082 0.396 3.62 2 17.7 0.9
262 1 4 4 37.557 75.114 0.396 3.62 4 43.6 11.3
263 2 0 -12 37.77 75.54 0.398 3.58 2 14.0 0.6
264 2 3 -8 37.814 75.627 0.398 3.58 4 17.5 1.8
265 4 1 -6 37.914 75.828 0.399 3.56 4 26.7 4.2
266 3 1 8 37.916 75.832 0.399 3.56 4 3.0 0.1
267 1 4 -5 37.999 75.998 0.4 3.54 4 38.5 8.6
268 3 1 -10 38.107 76.214 0.401 3.53 4 8.7 0.4
269 3 3 3 38.22 76.44 0.402 3.51 4 32.2 6.0
270 3 3 -5 38.305 76.61 0.402 3.49 4 42.6 10.4
271 4 2 -1 38.307 76.614 0.402 3.49 4 60.3 20.9
272 4 2 -2 38.366 76.733 0.403 3.48 4 30.7 5.4
273 2 3 7 38.39 76.78 0.403 3.48 4 50.8 14.7
274 2 4 -1 38.421 76.843 0.403 3.48 4 78.5 35.2
275 2 4 0 38.46 76.92 0.404 3.47 4 46.5 12.3
276 4 2 0 38.52 77.039 0.404 3.46 4 29.6 5.0
277 1 1 12 38.622 77.244 0.405 3.45 4 10.4 0.6
278 2 4 -2 38.655 77.31 0.405 3.44 4 0.9 0.0
279 4 1 4 38.681 77.362 0.406 3.44 4 51.6 15.0
280 4 2 -3 38.698 77.396 0.406 3.43 4 29.6 4.9
281 2 4 1 38.77 77.54 0.406 3.42 4 28.0 4.4
282 0 4 6 38.79 77.581 0.407 3.42 4 6.4 0.2
283 1 2 11 38.815 77.63 0.407 3.42 4 77.5 33.7
284 1 4 5 38.871 77.743 0.407 3.41 4 41.6 9.7
285 1 3 9 38.882 77.764 0.407 3.41 4 8.5 0.4
286 2 1 -12 38.908 77.816 0.408 3.4 4 29.6 4.9
287 4 2 1 39.003 78.007 0.409 3.39 4 1.9 0.0
288 3 2 7 39.024 78.048 0.409 3.39 4 58.1 18.8
289 2 4 -3 39.159 78.319 0.41 3.37 4 4.6 0.1
290 3 2 -9 39.192 78.384 0.41 3.36 4 55.2 16.8
291 4 2 -4 39.299 78.598 0.411 3.35 4 13.3 1.0
292 4 1 -7 39.332 78.664 0.411 3.34 4 11.3 0.7
293 2 4 2 39.35 78.699 0.412 3.34 4 12.0 0.8
294 2 2 -11 39.361 78.721 0.412 3.34 4 14.6 1.2
295 1 4 -6 39.406 78.812 0.412 3.33 4 12.1 0.8
296 3 3 4 39.431 78.862 0.412 3.33 4 18.9 2.0
297 3 3 -6 39.536 79.071 0.413 3.31 4 13.3 1.0
298 0 3 10 39.537 79.074 0.413 3.31 4 11.3 0.7
299 4 2 2 39.755 79.51 0.415 3.29 4 27.0 3.9
300 2 1 11 39.783 79.566 0.415 3.28 4 40.0 8.6
301 1 3 -10 39.804 79.609 0.416 3.28 4 13.3 0.9
302 0 1 13 39.828 79.657 0.416 3.28 4 2.3 0.0
303 1 1 -13 39.837 79.673 0.416 3.28 4 9.8 0.5
304 0 2 12 39.837 79.674 0.416 3.28 4 40.8 8.9
305 4 0 -8 39.883 79.766 0.416 3.27 2 55.5 8.3
306 2 4 -4 39.931 79.862 0.417 3.26 4 1.7 0.0
307 1 2 -12 39.932 79.863 0.417 3.26 4 2.9 0.0
308 2 3 -9 39.946 79.891 0.417 3.26 4 92.1 45.5
309 2 2 10 40.158 80.315 0.419 3.24 4 8.0 0.3
310 4 2 -5 40.167 80.333 0.419 3.23 4 28.6 4.3
311 2 4 3 40.196 80.393 0.419 3.23 4 35.7 6.8
312 4 1 5 40.243 80.486 0.419 3.22 4 28.9 4.4
313 1 4 6 40.441 80.883 0.421 3.2 4 22.0 2.5
314 3 1 9 40.477 80.954 0.421 3.2 4 15.6 1.3
315 0 4 7 40.544 81.088 0.422 3.19 4 47.9 12.0
316 2 3 8 40.589 81.178 0.422 3.18 4 9.0 0.4
317 3 1 -11 40.685 81.371 0.423 3.17 4 54.1 15.2
318 4 2 3 40.771 81.543 0.424 3.16 4 14.6 1.1
319 3 3 5 40.899 81.799 0.425 3.15 4 18.2 1.7
320 4 0 6 40.941 81.883 0.425 3.14 2 42.1 4.6
321 2 4 -5 40.967 81.934 0.426 3.14 4 26.1 3.5
322 4 1 -8 41.004 82.009 0.426 3.14 4 61.4 19.4
323 3 3 -7 41.024 82.048 0.426 3.14 4 25.3 3.3
324 1 4 -7 41.067 82.134 0.426 3.13 4 60.1 18.5
325 4 2 -6 41.297 82.595 0.428 3.11 4 29.1 4.3
326 3 2 8 41.3 82.599 0.428 3.11 4 8.7 0.4
327 2 4 4 41.306 82.612 0.428 3.11 4 19.9 2.0
328 3 2 -10 41.486 82.973 0.43 3.09 4 36.6 6.8
329 1 3 10 41.523 83.046 0.43 3.08 4 28.8 4.2
330 2 0 12 41.917 83.833 0.434 3.05 2 61.2 9.4
331 1 2 12 41.991 83.981 0.434 3.04 4 49.5 12.2
332 4 2 4 42.049 84.098 0.435 3.03 4 13.9 1.0
333 4 1 6 42.057 84.114 0.435 3.03 4 44.1 9.7
334 1 1 13 42.067 84.135 0.435 3.03 4 7.9 0.3
335 2 1 -13 42.092 84.184 0.435 3.03 4 2.9 0.0
336 3 0 10 42.157 84.314 0.436 3.02 2 114.1 32.3
337 1 0 -14 42.246 84.493 0.436 3.02 2 11.4 0.3
338 2 4 -6 42.264 84.528 0.437 3.01 4 17.7 1.6
339 1 4 7 42.264 84.529 0.437 3.01 4 54.4 14.7
340 2 2 -12 42.271 84.542 0.437 3.01 4 11.6 0.7
341 2 3 -10 42.316 84.632 0.437 3.01 4 9.8 0.5
342 0 0 14 42.324 84.647 0.437 3.01 2 25.7 1.6
343 0 3 11 42.349 84.699 0.437 3.01 4 70.1 24.2
344 3 0 -12 42.384 84.768 0.438 3.0 2 3.9 0.0
345 1 3 -11 42.528 85.056 0.439 2.99 4 44.9 9.9
346 0 4 8 42.547 85.094 0.439 2.99 4 5.7 0.2
347 3 3 6 42.623 85.246 0.44 2.98 4 28.8 4.1
348 2 4 5 42.676 85.353 0.44 2.98 4 54.0 14.2
349 4 2 -7 42.688 85.377 0.44 2.98 4 20.4 2.0
350 3 3 -8 42.768 85.535 0.441 2.97 4 34.1 5.7
351 4 1 -9 42.929 85.858 0.442 2.96 4 37.4 6.8
352 1 4 -8 42.981 85.962 0.443 2.96 4 6.2 0.2
353 2 3 9 43.027 86.055 0.443 2.95 4 13.9 0.9
354 2 1 12 43.028 86.056 0.443 2.95 4 31.9 4.9
355 2 2 11 43.132 86.264 0.444 2.94 4 24.4 2.9
356 0 2 13 43.177 86.354 0.444 2.94 4 47.8 11.0
357 1 2 -13 43.185 86.37 0.444 2.94 4 7.9 0.3
358 3 1 10 43.268 86.535 0.445 2.93 4 4.2 0.1
359 1 1 -14 43.357 86.714 0.446 2.93 4 17.3 1.4
360 0 1 14 43.434 86.868 0.446 2.92 4 25.4 3.1
361 3 1 -12 43.494 86.989 0.447 2.92 4 35.5 6.0
362 4 2 5 43.586 87.172 0.448 2.91 4 70.9 24.0
363 3 2 9 43.817 87.635 0.449 2.9 4 18.0 1.5
364 2 4 -7 43.821 87.642 0.449 2.9 4 35.0 5.8
365 5 0 -2 43.835 87.671 0.45 2.89 2 0.1 0.0
366 4 3 -1 43.904 87.807 0.45 2.89 4 31.5 4.7
367 3 4 -1 43.955 87.909 0.451 2.89 4 5.6 0.1
368 4 3 -2 43.962 87.923 0.451 2.89 4 29.5 4.1
369 4 0 -10 44.001 88.003 0.451 2.88 2 40.8 3.9
370 3 2 -11 44.023 88.046 0.451 2.88 4 17.0 1.4
371 3 4 0 44.077 88.154 0.452 2.88 4 8.1 0.3
372 3 4 -2 44.097 88.195 0.452 2.88 4 21.9 2.3
373 4 3 0 44.111 88.222 0.452 2.88 4 18.3 1.6
374 4 1 7 44.125 88.249 0.452 2.88 4 6.6 0.2
375 5 0 0 44.155 88.309 0.452 2.87 2 5.5 0.1
376 0 5 1 44.166 88.331 0.452 2.87 4 1.8 0.0
377 4 3 -3 44.285 88.569 0.453 2.87 4 49.2 11.4
378 2 4 6 44.306 88.613 0.453 2.87 4 31.3 4.6
379 4 2 -8 44.339 88.678 0.454 2.86 4 27.2 3.5
380 1 4 8 44.341 88.682 0.454 2.86 4 51.4 12.4
381 2 0 -14 44.398 88.796 0.454 2.86 2 38.7 3.5
382 1 3 11 44.399 88.799 0.454 2.86 4 25.7 3.1
383 3 4 1 44.464 88.929 0.455 2.86 4 0.2 0.0
384 3 4 -3 44.505 89.011 0.455 2.85 4 58.0 15.7
385 0 5 2 44.563 89.127 0.455 2.85 4 5.6 0.1
386 5 0 -4 44.577 89.154 0.456 2.85 2 26.7 1.7
387 4 3 1 44.583 89.166 0.456 2.85 4 1.5 0.0
388 3 3 7 44.603 89.207 0.456 2.85 4 18.3 1.6
389 1 0 14 44.628 89.257 0.456 2.85 2 15.4 0.6
390 3 3 -9 44.768 89.536 0.457 2.84 4 35.1 5.7
391 0 4 9 44.803 89.605 0.457 2.84 4 48.5 11.0
392 4 3 -4 44.873 89.745 0.458 2.83 4 8.9 0.4
393 2 3 -11 44.933 89.867 0.458 2.83 4 52.8 13.0
394 5 1 -2 44.943 89.886 0.459 2.83 4 13.7 0.9
395 5 1 -1 44.97 89.94 0.459 2.83 4 4.2 0.1
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 5.52 11.039 8.00807 74.1 12.5 12.5 5.6
2 0 1 1 8.459 16.918 5.23648 13.3 2.2 2.3 5.6
3 1 0 2 10.244 20.488 4.33135 23.9 4.0 4.0 5.6
4 0 0 4 11.091 22.183 4.00403 257.8 43.3 43.3 5.6
5 1 1 0 11.351 22.701 3.91378 595.0 100.0 100.0 5.6
6 1 1 -1 11.473 22.947 3.87247 77.3 13.0 13.0 5.6
7 0 1 3 11.558 23.116 3.84456 19.3 3.3 3.3 5.6
8 1 1 -2 12.25 24.501 3.63021 11.3 1.9 1.9 5.6
9 1 0 -4 12.985 25.97 3.42805 43.9 7.4 7.4 5.6
10 1 1 2 13.045 26.091 3.41248 111.2 18.7 18.6 5.6
11 1 1 -3 13.577 27.153 3.28133 94.2 15.8 15.8 5.6
12 0 1 4 13.73 27.46 3.24537 89.4 15.0 15.0 5.6
13 1 0 4 14.459 28.919 3.08489 30.5 5.1 5.1 5.6
14 1 1 3 14.654 29.308 3.04483 73.5 12.4 12.3 5.6
15 1 1 -4 15.321 30.642 2.91524 379.0 63.7 63.3 5.6
16 0 2 0 16.143 32.285 2.7705 73.1 12.3 12.2 5.6
17 2 0 0 16.179 32.358 2.76443 206.1 34.6 34.4 5.6
18 0 2 1 16.389 32.778 2.72996 126.2 21.2 21.0 5.6
19 1 1 4 16.606 33.211 2.69533 113.4 19.1 18.9 5.6
20 1 1 -5 17.372 34.745 2.57981 21.2 3.6 3.5 5.7
21 2 0 2 17.738 35.476 2.52829 26.5 4.5 4.4 5.7
22 2 1 -1 18.08 36.16 2.48202 56.5 9.5 9.4 5.7
23 1 2 0 18.118 36.237 2.47692 64.0 10.8 10.6 5.7
24 1 2 -1 18.199 36.398 2.46635 13.4 2.2 2.2 5.7
25 1 2 1 18.483 36.966 2.42971 100.4 16.9 16.7 5.7
26 2 1 1 18.648 37.296 2.40898 37.5 6.3 6.2 5.7
27 2 0 -4 18.7 37.4 2.40254 50.8 8.5 8.4 5.7
28 2 1 -3 19.268 38.536 2.3343 21.2 3.6 3.5 5.7
29 1 0 6 19.513 39.026 2.30606 40.2 6.8 6.7 5.7
30 1 2 -3 19.65 39.3 2.29062 97.7 16.4 16.2 5.7
31 0 2 4 19.761 39.522 2.27829 76.5 12.9 12.7 5.7
32 1 2 3 20.441 40.883 2.20554 28.4 4.8 4.7 5.7
33 2 0 4 20.835 41.67 2.16568 237.9 40.0 39.3 5.7
34 1 2 -4 20.945 41.891 2.15477 32.5 5.5 5.4 5.7
35 1 1 6 21.211 42.421 2.12904 44.8 7.5 7.4 5.7
36 0 1 7 21.36 42.72 2.11482 9.3 1.6 1.5 5.7
37 0 2 5 21.567 43.135 2.09546 175.2 29.4 28.9 5.7
38 1 2 4 21.944 43.887 2.06126 84.4 14.2 13.9 5.7
39 2 0 -6 22.229 44.459 2.03607 23.9 4.0 3.9 5.7
40 2 1 4 22.45 44.9 2.01709 37.4 6.3 6.2 5.7
41 1 2 -5 22.555 45.11 2.00819 146.4 24.6 24.1 5.7
42 0 0 8 22.628 45.257 2.00202 232.8 39.1 38.3 5.7
43 2 2 -1 23.129 46.257 1.96102 344.7 57.9 56.7 5.7
44 2 2 0 23.18 46.36 1.95689 235.4 39.6 38.7 5.7
45 1 0 -8 23.231 46.463 1.95282 224.9 37.8 37.0 5.7
46 2 2 -2 23.442 46.884 1.93624 29.6 5.0 4.9 5.7
47 2 2 1 23.595 47.19 1.92439 124.9 21.0 20.5 5.7
48 1 2 5 23.73 47.46 1.91409 8.7 1.5 1.4 5.7
49 2 1 -6 23.769 47.538 1.91113 55.6 9.3 9.1 5.7
50 0 1 8 24.148 48.296 1.88288 109.8 18.4 18.0 5.7
51 2 1 5 24.32 48.641 1.87034 39.3 6.6 6.5 5.7
52 2 2 2 24.359 48.719 1.86754 24.8 4.2 4.1 5.7
53 3 0 -2 24.733 49.466 1.84107 49.8 8.4 8.2 5.7
54 0 3 1 24.822 49.645 1.83484 11.9 2.0 1.9 5.7
55 2 0 6 25.007 50.013 1.82219 52.0 8.7 8.5 5.7
56 1 0 8 25.052 50.104 1.8191 27.7 4.7 4.5 5.7
57 2 2 -4 25.111 50.222 1.81511 18.3 3.1 3.0 5.8
58 2 2 3 25.449 50.898 1.79256 55.1 9.3 9.0 5.8
59 0 2 7 25.889 51.777 1.76418 82.1 13.8 13.4 5.8
60 3 1 -1 25.979 51.958 1.75846 19.3 3.2 3.2 5.8
61 3 0 2 26.048 52.097 1.75411 15.0 2.5 2.5 5.8
62 1 3 0 26.085 52.169 1.75183 30.7 5.2 5.0 5.8
63 1 3 -1 26.145 52.29 1.74808 166.4 28.0 27.2 5.8
64 2 2 -5 26.418 52.835 1.73132 11.8 2.0 1.9 5.8
65 3 1 -3 26.672 53.344 1.71601 55.6 9.4 9.1 5.8
66 2 0 -8 26.705 53.41 1.71402 68.4 11.5 11.2 5.8
67 2 2 4 26.837 53.673 1.70624 10.9 1.8 1.8 5.8
68 1 3 2 26.961 53.921 1.69898 19.2 3.2 3.1 5.8
69 0 1 9 27.041 54.081 1.69433 9.6 1.6 1.6 5.8
70 1 3 -3 27.254 54.508 1.68207 51.9 8.7 8.5 5.8
71 3 1 2 27.426 54.853 1.67231 91.6 15.4 14.9 5.8
72 3 1 -4 27.502 55.004 1.66808 41.6 7.0 6.8 5.8
73 1 3 3 27.875 55.75 1.6475 114.7 19.3 18.6 5.8
74 1 2 7 28.001 56.003 1.64066 62.6 10.5 10.2 5.8
75 2 1 -8 28.061 56.122 1.63747 54.8 9.2 8.9 5.8
76 2 2 5 28.494 56.987 1.61464 9.9 1.7 1.6 5.8
77 3 1 3 28.534 57.067 1.61257 18.1 3.0 2.9 5.8
78 3 1 -5 28.631 57.263 1.60751 29.8 5.0 4.8 5.8
79 2 1 7 28.73 57.46 1.60248 40.8 6.9 6.6 5.8
80 0 3 5 28.777 57.555 1.60006 12.5 2.1 2.0 5.8
81 1 3 -5 29.585 59.17 1.56018 16.4 2.8 2.7 5.8
82 2 2 -7 29.836 59.672 1.54823 8.6 1.4 1.4 5.8
83 3 1 4 29.921 59.842 1.54424 13.8 2.3 2.2 5.8
84 3 2 -1 29.99 59.981 1.541 20.2 3.4 3.3 5.8
85 3 1 -6 30.04 60.08 1.5387 37.7 6.3 6.1 5.8
86 3 2 0 30.131 60.263 1.53447 9.0 1.5 1.5 5.8
87 2 2 6 30.395 60.79 1.52241 10.0 1.7 1.6 5.8
88 1 2 8 30.435 60.87 1.52061 53.9 9.1 8.7 5.8
89 3 2 1 30.576 61.151 1.51429 16.6 2.8 2.7 5.8
90 0 2 9 30.961 61.921 1.4973 11.0 1.8 1.8 5.8
91 1 0 10 31.018 62.035 1.49482 8.0 1.3 1.3 5.8
92 3 2 2 31.315 62.63 1.48203 15.2 2.6 2.4 5.8
93 1 2 -9 31.353 62.707 1.48041 16.3 2.7 2.6 5.8
94 2 2 -8 31.901 63.802 1.45762 41.3 6.9 6.6 5.9
95 2 3 3 32.029 64.059 1.45239 14.6 2.4 2.3 5.9
96 3 2 3 32.339 64.678 1.43997 22.0 3.7 3.5 5.9
97 0 3 7 32.41 64.819 1.43717 6.8 1.2 1.1 5.9
98 2 2 7 32.521 65.043 1.43277 9.3 1.6 1.5 5.9
99 2 3 -5 32.871 65.741 1.41924 13.6 2.3 2.2 5.9
100 0 1 11 33.161 66.322 1.40821 13.0 2.2 2.1 5.9
101 2 3 4 33.238 66.476 1.40532 6.0 1.0 1.0 5.9
102 4 0 -2 33.706 67.413 1.38805 28.2 4.7 4.5 5.9
103 0 4 0 33.784 67.567 1.38525 10.2 1.7 1.6 5.9
104 4 0 0 33.868 67.736 1.38222 26.1 4.4 4.2 5.9
105 0 4 1 33.927 67.854 1.3801 62.5 10.5 10.0 5.9
106 2 2 -9 34.18 68.36 1.3711 27.6 4.6 4.4 5.9
107 1 3 7 34.268 68.537 1.368 19.1 3.2 3.0 5.9
108 2 2 8 34.86 69.719 1.34766 31.3 5.3 5.0 5.9
109 1 4 0 34.977 69.954 1.34372 20.3 3.4 3.2 5.9
110 1 3 -8 35.032 70.064 1.34188 8.2 1.4 1.3 5.9
111 0 4 3 35.063 70.125 1.34085 11.5 1.9 1.8 5.9
112 4 0 2 35.163 70.326 1.33751 22.0 3.7 3.5 5.9
113 3 2 -7 35.317 70.634 1.33243 13.9 2.3 2.2 5.9
114 1 0 -12 35.347 70.695 1.33144 39.2 6.6 6.2 5.9
115 3 1 -9 35.75 71.501 1.3184 14.6 2.5 2.3 5.9
116 1 2 10 35.84 71.68 1.31555 18.5 3.1 2.9 5.9
117 2 3 -7 35.919 71.839 1.31302 10.7 1.8 1.7 5.9
118 3 3 -1 36.06 72.119 1.3086 17.0 2.9 2.7 5.9
119 4 1 2 36.331 72.662 1.30017 16.1 2.7 2.5 6.0
120 0 1 12 36.415 72.831 1.29757 19.4 3.3 3.1 6.0
121 1 1 -12 36.513 73.025 1.29459 11.2 1.9 1.8 6.0
122 3 3 1 36.593 73.187 1.29213 14.7 2.5 2.3 6.0
123 3 3 -3 36.636 73.273 1.29082 8.3 1.4 1.3 6.0
124 2 1 10 36.745 73.49 1.28754 47.6 8.0 7.5 6.0
125 1 4 -4 36.851 73.703 1.28435 6.7 1.1 1.1 6.0
126 3 0 -10 36.961 73.922 1.28108 13.0 2.2 2.0 6.0
127 3 2 -8 37.135 74.271 1.27593 21.4 3.6 3.4 6.0
128 2 2 9 37.404 74.808 1.26809 32.6 5.5 5.1 6.0
129 1 4 4 37.557 75.114 1.26369 11.3 1.9 1.8 6.0
130 1 4 -5 37.999 75.998 1.25116 8.6 1.4 1.4 6.0
131 3 3 3 38.22 76.44 1.24503 6.0 1.0 0.9 6.0
132 4 2 -1 38.307 76.614 1.24264 31.3 5.3 4.9 6.0
133 2 3 7 38.39 76.78 1.24037 20.1 3.4 3.2 6.0
134 2 4 -1 38.421 76.843 1.23951 35.2 5.9 5.5 6.0
135 2 4 0 38.46 76.92 1.23846 12.3 2.1 1.9 6.0
136 4 1 4 38.681 77.362 1.23248 20.0 3.4 3.1 6.0
137 1 2 11 38.815 77.63 1.22889 33.7 5.7 5.3 6.0
138 1 4 5 38.871 77.743 1.2274 10.1 1.7 1.6 6.0
139 3 2 7 39.024 78.048 1.22335 18.8 3.2 2.9 6.0
140 3 2 -9 39.192 78.384 1.21895 16.8 2.8 2.6 6.0
141 2 1 11 39.783 79.566 1.20378 12.6 2.1 2.0 6.0
142 0 2 12 39.837 79.674 1.20242 8.9 1.5 1.4 6.0
143 4 0 -8 39.883 79.766 1.20127 8.3 1.4 1.3 6.0
144 2 3 -9 39.946 79.891 1.1997 45.5 7.6 7.1 6.0
145 2 4 3 40.196 80.393 1.19348 11.1 1.9 1.7 6.0
146 0 4 7 40.544 81.088 1.18499 12.0 2.0 1.9 6.1
147 3 1 -11 40.685 81.371 1.18158 15.2 2.6 2.4 6.1
148 4 0 6 40.941 81.883 1.17549 8.1 1.4 1.3 6.1
149 4 1 -8 41.004 82.009 1.174 22.7 3.8 3.5 6.1
150 1 4 -7 41.067 82.134 1.17252 18.5 3.1 2.9 6.1
151 4 2 -6 41.297 82.595 1.16715 6.7 1.1 1.0 6.1
152 3 2 -10 41.486 82.973 1.16279 6.8 1.1 1.0 6.1
153 2 0 12 41.917 83.833 1.15303 9.4 1.6 1.4 6.1
154 1 2 12 41.991 83.981 1.15137 12.2 2.1 1.9 6.1
155 4 1 6 42.057 84.114 1.1499 10.0 1.7 1.5 6.1
156 3 0 10 42.157 84.314 1.14768 32.3 5.4 5.0 6.1
157 1 4 7 42.264 84.529 1.14531 16.9 2.8 2.6 6.1
158 0 3 11 42.349 84.699 1.14344 25.9 4.3 4.0 6.1
159 1 3 -11 42.528 85.056 1.13955 10.1 1.7 1.6 6.1
160 2 4 5 42.676 85.353 1.13635 16.3 2.7 2.5 6.1
161 4 1 -9 42.929 85.858 1.13095 6.8 1.1 1.0 6.1
162 0 2 13 43.177 86.354 1.12572 11.3 1.9 1.7 6.1
163 3 1 -12 43.494 86.989 1.11913 6.0 1.0 0.9 6.1
164 4 2 5 43.586 87.172 1.11725 24.0 4.0 3.7 6.2
165 2 4 -7 43.821 87.642 1.11247 7.4 1.2 1.1 6.2
166 4 3 -3 44.285 88.569 1.1032 16.0 2.7 2.4 6.2
167 1 4 8 44.341 88.682 1.10209 15.9 2.7 2.4 6.2
168 2 0 -14 44.398 88.796 1.10097 6.6 1.1 1.0 6.2
169 3 4 -3 44.505 89.011 1.09887 15.7 2.6 2.4 6.2
170 0 4 9 44.803 89.605 1.09311 11.0 1.8 1.7 6.2
171 2 3 -11 44.933 89.867 1.09061 13.8 2.3 2.1 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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