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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THOMSONITE
1, f-zeolites, sfthomsonite, ZL
NaCa(2)Al(5)Si(5)O(20).6H(2)O
Orthorhombic P bmn Z = 2
Pbmn
14 .2 .1995
Ref.Str.:
Wyckoff R.W.G. (1966)
* Crystal Structures, 4, 414-415
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.07 alpha = 90.0
b = 13.09 beta = 90.0
c = 6.61 gamma = 90.0
Unit cell volume (cub. angs.) = 1130.88
Molar volume ( cub.cm/mol.) = 340.59
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.5 0.0 Ca = 1.00
2 0.069 0.0 0.25 0.0 Ca = 0.5 , Na = 0.5
3 0.25 0.25 0.875 0.0 Si = 0.5 , Al = 0.5
4 0.125 0.194 0.5 0.0 Si = 0.5 , Al = 0.5
5 0.305 0.125 0.25 0.0 Si = 0.5 , Al = 0.5
6 0.5 0.361 0.5 0.0 O = 1.00
7 0.402 0.0 0.25 0.0 O = 1.00
8 0.167 0.194 0.75 0.0 O = 1.00
9 0.18 0.119 0.375 0.0 O = 1.00
10 0.305 0.139 0.0 0.0 O = 1.00
11 0.375 0.194 0.375 0.0 O = 1.00
12 0.0 0.139 0.0 0.0 H(2)O = 1.00
13 0.403 0.0 0.75 0.0 H(2)O = 1.00
14 0.111 0.0 0.75 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.5
2 2 0.069 0.0 0.25
3 3 0.25 0.25 0.875
4 4 0.125 0.194 0.5
5 5 0.305 0.125 0.25
6 6 0.5 0.361 0.5
7 7 0.402 0.0 0.25
8 8 0.167 0.194 0.75
9 9 0.18 0.119 0.375
10 10 0.305 0.139 0.0
11 11 0.375 0.194 0.375
12 12 0.0 0.139 0.0
13 13 0.403 0.0 0.75
14 14 0.111 0.0 0.75
15 3 0.25 0.75 0.875
16 4 0.125 0.806 0.5
17 5 0.305 0.875 0.25
18 6 0.5 0.639 0.5
19 8 0.167 0.806 0.75
20 9 0.18 0.881 0.375
21 10 0.305 0.861 0.0
22 11 0.375 0.806 0.375
23 12 0.0 0.861 0.0
24 1 0.0 0.5 0.5
25 2 0.431 0.5 0.25
26 4 0.375 0.694 0.5
27 5 0.195 0.625 0.25
28 6 0.0 0.861 0.5
29 7 0.098 0.5 0.25
30 8 0.333 0.694 0.75
31 9 0.32 0.619 0.375
32 10 0.195 0.639 0.0
33 11 0.125 0.694 0.375
34 12 0.5 0.639 0.0
35 13 0.097 0.5 0.75
36 14 0.389 0.5 0.75
37 4 0.375 0.306 0.5
38 5 0.195 0.375 0.25
39 6 0.0 0.139 0.5
40 8 0.333 0.306 0.75
41 9 0.32 0.381 0.375
42 10 0.195 0.361 0.0
43 11 0.125 0.306 0.375
44 12 0.5 0.361 0.0
45 2 0.569 0.5 0.75
46 3 0.75 0.75 0.125
47 4 0.625 0.694 0.5
48 5 0.805 0.625 0.75
49 7 0.902 0.5 0.75
50 8 0.667 0.694 0.25
51 9 0.68 0.619 0.625
52 10 0.805 0.639 0.0
53 11 0.875 0.694 0.625
54 13 0.903 0.5 0.25
55 14 0.611 0.5 0.25
56 3 0.75 0.25 0.125
57 4 0.625 0.306 0.5
58 5 0.805 0.375 0.75
59 8 0.667 0.306 0.25
60 9 0.68 0.381 0.625
61 10 0.805 0.361 0.0
62 11 0.875 0.306 0.625
63 2 0.931 0.0 0.75
64 4 0.875 0.194 0.5
65 5 0.695 0.125 0.75
66 7 0.598 0.0 0.75
67 8 0.833 0.194 0.25
68 9 0.82 0.119 0.625
69 10 0.695 0.139 0.0
70 11 0.625 0.194 0.625
71 13 0.597 0.0 0.25
72 14 0.889 0.0 0.25
73 4 0.875 0.806 0.5
74 5 0.695 0.875 0.75
75 8 0.833 0.806 0.25
76 9 0.82 0.881 0.625
77 10 0.695 0.861 0.0
78 11 0.625 0.806 0.625
X-ray density (g/cm cub.) = 2.37
MU (1/cm) = 98.839 Mass attenuation coefficient (cm**2/g) = 41.742
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.048 4
2.0908 7
2.0828 13
2.0908 7
2.0828 13
2 Ca ,Na 3.048 7
2.2834 9
2.6181 12
2.2834 9
2.6181 12
2.6181 6
2.6181 6
2.3526 14
3 Si ,Al 2.484 4
1.5482 8
1.8195 10
1.5482 8
1.8195 10
4 Si ,Al 2.484 4
1.7413 8
1.4708 9
1.7853 6
1.6829 11
5 Si ,Al 2.484 4
2.0699 7
1.8325 9
1.6626 10
1.5282 11
6 O 3.432 10
2.8514 11
2.8541 14
2.8308 8
2.5072 9
3.305 12
3.305 12
2.8541 14
2.8308 8
2.5072 9
2.8514 11
7 O 3.432 9
3.3953 9
2.7656 10
2.6937 11
3.305 13
3.305 13
3.3953 9
2.7656 10
2.6937 11
2.5486 13
8 O 3.432 8
2.6715 9
2.55 10
2.8308 12
2.6428 14
2.8308 6
2.6185 8
2.7647 10
2.9317 11
9 O 3.432 9
3.3953 7
2.6715 8
2.9802 10
2.7312 11
3.4275 12
3.0633 14
3.1154 9
2.5072 6
2.5512 11
10 O 3.432 7
2.7656 7
2.55 8
2.9802 9
2.7385 11
2.7716 13
2.7647 8
3.2422 10
11 O 3.432 6
2.8514 6
2.6937 7
2.7312 9
2.7385 10
2.9317 8
2.5512 9
12 H(2)O 3.6 8
2.8308 8
3.4275 9
2.8541 14
3.305 6
3.305 6
2.8308 8
3.4275 9
2.8541 14
13 H(2)O 3.6 7
3.305 7
3.305 7
2.7716 10
3.5675 11
2.7716 10
3.5675 11
2.5486 7
14 H(2)O 3.6 10
2.6428 8
3.0633 9
3.5314 10
2.8541 12
2.6428 8
3.0633 9
3.5314 10
2.8541 12
2.8541 6
2.8541 6
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 4.777 9.555 0.054 285.37 4 30.6 83.4
2 0 0 1 6.692 13.384 0.076 144.31 2 127.3 366.0
3 0 2 0 6.759 13.518 0.076 141.43 2 50.2 55.7
4 2 0 0 6.769 13.538 0.077 140.99 2 82.6 150.4
5 1 0 1 7.504 15.007 0.085 114.33 4 79.0 223.4
6 1 1 1 8.235 16.47 0.093 94.54 8 3.4 0.7
7 0 2 1 9.533 19.067 0.108 69.99 4 21.3 9.9
8 2 0 1 9.541 19.082 0.108 69.87 4 86.4 163.2
9 2 2 0 9.588 19.176 0.108 69.16 4 158.3 542.2
10 1 2 1 10.125 20.25 0.114 61.8 8 55.8 120.3
11 2 1 1 10.13 20.26 0.114 61.74 8 36.7 52.0
12 1 3 0 10.726 21.452 0.121 54.84 4 81.0 112.5
13 3 1 0 10.739 21.479 0.121 54.7 4 35.6 21.7
14 2 2 1 11.729 23.458 0.132 45.51 8 7.2 1.5
15 3 0 1 12.225 24.45 0.137 41.73 4 30.5 12.1
16 1 3 1 12.685 25.369 0.143 38.61 8 88.4 188.6
17 3 1 1 12.696 25.392 0.143 38.54 8 100.6 244.2
18 0 0 2 13.478 26.955 0.151 33.97 2 44.3 10.4
19 0 4 0 13.614 27.228 0.153 33.25 2 0.2 0.0
20 4 0 0 13.635 27.27 0.153 33.14 2 92.3 44.2
21 1 0 2 13.91 27.82 0.156 31.77 4 124.8 154.9
22 2 3 1 14.014 28.027 0.157 31.27 8 103.2 208.2
23 3 2 1 14.02 28.04 0.157 31.24 8 24.3 11.6
24 1 1 2 14.33 28.659 0.161 29.82 8 1.4 0.0
25 3 3 0 14.469 28.937 0.162 29.21 4 55.2 27.8
26 0 2 2 15.135 30.27 0.169 26.53 4 134.0 149.1
27 2 0 2 15.14 30.28 0.17 26.51 4 77.7 50.1
28 0 4 1 15.227 30.454 0.17 26.19 4 33.0 8.9
29 4 0 1 15.246 30.493 0.171 26.12 4 130.2 138.4
30 2 4 0 15.263 30.525 0.171 26.06 4 122.1 121.4
31 4 2 0 15.277 30.554 0.171 26.01 4 28.5 6.6
32 1 2 2 15.525 31.051 0.174 25.12 8 63.6 63.6
33 2 1 2 15.529 31.058 0.174 25.11 8 10.8 1.8
34 1 4 1 15.615 31.231 0.175 24.81 8 133.8 277.9
35 4 1 1 15.633 31.266 0.175 24.75 8 85.8 114.0
36 3 3 1 16.003 32.006 0.179 23.53 8 54.5 43.7
37 2 2 2 16.647 33.293 0.186 21.61 8 40.8 22.5
38 2 4 1 16.731 33.463 0.187 21.37 8 45.0 27.0
39 4 2 1 16.744 33.489 0.187 21.33 8 144.9 280.0
40 3 0 2 17.01 34.02 0.19 20.61 4 17.9 2.1
41 1 3 2 17.353 34.706 0.194 19.74 8 125.4 194.2
42 3 1 2 17.361 34.723 0.194 19.72 8 38.3 18.1
43 1 5 0 17.462 34.924 0.195 19.47 4 29.6 5.3
44 5 1 0 17.487 34.974 0.195 19.41 4 58.1 20.5
45 2 3 2 18.375 36.751 0.205 17.41 8 17.5 3.3
46 3 2 2 18.38 36.761 0.205 17.4 8 13.4 1.9
47 3 4 1 18.458 36.916 0.206 17.24 8 102.2 112.6
48 4 3 1 18.465 36.931 0.206 17.22 8 29.6 9.5
49 5 0 1 18.474 36.949 0.206 17.21 4 3.3 0.1
50 1 5 1 18.778 37.556 0.209 16.6 8 13.8 2.0
51 5 1 1 18.802 37.604 0.209 16.55 8 6.7 0.5
52 0 4 2 19.344 38.689 0.215 15.54 4 82.5 33.1
53 4 0 2 19.36 38.72 0.215 15.52 4 73.1 25.9
54 4 4 0 19.459 38.918 0.216 15.34 4 71.8 24.7
55 1 4 2 19.661 39.321 0.218 15.0 8 4.0 0.1
56 4 1 2 19.675 39.35 0.219 14.97 8 30.9 8.9
57 2 5 1 19.737 39.474 0.219 14.87 8 38.7 13.9
58 5 2 1 19.757 39.514 0.219 14.83 8 56.9 30.0
59 3 3 2 19.979 39.958 0.222 14.47 8 55.1 27.4
60 3 5 0 20.076 40.151 0.223 14.31 4 117.5 61.8
61 5 3 0 20.091 40.181 0.223 14.29 4 0.2 0.0
62 0 0 3 20.463 40.925 0.227 13.72 2 27.0 1.6
63 2 4 2 20.585 41.169 0.228 13.54 8 80.7 55.2
64 4 2 2 20.596 41.191 0.228 13.52 8 118.5 118.7
65 4 4 1 20.666 41.333 0.229 13.42 8 2.2 0.0
66 0 6 0 20.675 41.35 0.229 13.41 2 210.2 92.7
67 6 0 0 20.708 41.417 0.23 13.36 2 81.9 14.0
68 1 0 3 20.765 41.529 0.23 13.28 4 17.3 1.2
69 1 1 3 21.062 42.124 0.233 12.86 8 2.8 0.1
70 3 5 1 21.254 42.508 0.235 12.6 8 23.2 4.2
71 5 3 1 21.268 42.537 0.235 12.58 8 49.7 19.4
72 0 2 3 21.646 43.293 0.239 12.1 4 27.0 2.8
73 2 0 3 21.65 43.3 0.239 12.09 4 50.7 9.7
74 0 6 1 21.827 43.654 0.241 11.87 4 77.9 22.5
75 2 6 0 21.853 43.706 0.242 11.84 4 108.0 43.2
76 6 0 1 21.859 43.717 0.242 11.83 4 58.2 12.5
77 6 2 0 21.881 43.762 0.242 11.81 4 56.1 11.6
78 1 2 3 21.935 43.87 0.242 11.74 8 19.4 2.8
79 2 1 3 21.938 43.875 0.243 11.74 8 37.5 10.4
80 3 4 2 22.054 44.108 0.244 11.6 8 21.7 3.4
81 4 3 2 22.06 44.12 0.244 11.59 8 24.2 4.3
82 5 0 2 22.068 44.136 0.244 11.58 4 15.4 0.9
83 1 6 1 22.114 44.227 0.244 11.53 8 17.6 2.2
84 6 1 1 22.144 44.288 0.245 11.49 8 14.5 1.5
85 1 5 2 22.33 44.661 0.247 11.28 8 43.8 13.5
86 5 1 2 22.351 44.702 0.247 11.25 8 2.3 0.0
87 2 2 3 22.784 45.567 0.251 10.78 8 47.9 15.4
88 2 6 1 22.957 45.914 0.253 10.59 8 20.3 2.7
89 6 2 1 22.984 45.968 0.253 10.57 8 6.5 0.3
90 3 0 3 23.064 46.129 0.254 10.48 4 49.6 8.1
91 2 5 2 23.168 46.335 0.255 10.38 8 61.9 24.9
92 5 2 2 23.185 46.37 0.256 10.36 8 16.4 1.8
93 4 5 1 23.242 46.484 0.256 10.3 8 40.4 10.5
94 5 4 1 23.25 46.499 0.256 10.29 8 44.3 12.7
95 1 3 3 23.332 46.663 0.257 10.21 8 90.3 52.1
96 3 1 3 23.338 46.676 0.257 10.21 8 52.0 17.3
97 4 4 2 23.989 47.979 0.264 9.59 8 42.0 10.6
98 2 3 3 24.142 48.283 0.265 9.45 8 61.9 22.7
99 3 2 3 24.146 48.291 0.266 9.45 8 62.4 23.0
100 3 6 1 24.312 48.623 0.267 9.3 8 9.8 0.6
101 6 3 1 24.334 48.667 0.267 9.28 8 50.5 14.8
102 3 5 2 24.513 49.027 0.269 9.13 8 30.2 5.2
103 5 3 2 24.526 49.053 0.269 9.12 8 12.0 0.8
104 1 7 0 24.589 49.178 0.27 9.07 4 15.7 0.7
105 5 5 0 24.608 49.217 0.27 9.05 4 10.1 0.3
106 7 1 0 24.628 49.255 0.27 9.03 4 35.6 3.6
107 0 4 3 24.926 49.853 0.274 8.79 4 115.9 36.9
108 4 0 3 24.939 49.878 0.274 8.78 4 4.5 0.1
109 0 6 2 25.028 50.056 0.275 8.71 4 15.6 0.7
110 6 0 2 25.056 50.113 0.275 8.69 4 84.0 19.2
111 4 6 0 25.121 50.243 0.276 8.63 4 99.7 26.9
112 6 4 0 25.137 50.274 0.276 8.62 4 191.2 98.6
113 1 4 3 25.186 50.371 0.276 8.58 8 20.1 2.2
114 4 1 3 25.198 50.395 0.276 8.58 8 110.3 65.2
115 1 6 2 25.286 50.573 0.277 8.51 8 28.5 4.3
116 6 1 2 25.314 50.628 0.278 8.49 8 24.8 3.3
117 7 0 1 25.384 50.769 0.278 8.43 4 73.2 14.1
118 3 3 3 25.449 50.897 0.279 8.38 8 43.5 9.9
119 1 7 1 25.602 51.204 0.28 8.27 8 27.3 3.9
120 5 5 1 25.621 51.242 0.281 8.26 8 83.6 36.1
121 7 1 1 25.64 51.279 0.281 8.24 8 30.7 4.9
122 2 4 3 25.952 51.905 0.284 8.02 8 39.7 7.9
123 4 2 3 25.962 51.923 0.284 8.01 8 35.4 6.3
124 2 6 2 26.051 52.102 0.285 7.95 8 2.4 0.0
125 6 2 2 26.076 52.151 0.285 7.93 8 114.8 65.4
126 4 6 1 26.119 52.238 0.286 7.9 8 0.8 0.0
127 6 4 1 26.135 52.269 0.286 7.89 8 43.2 9.2
128 4 5 2 26.311 52.621 0.288 7.77 8 28.0 3.8
129 5 4 2 26.318 52.635 0.288 7.77 8 49.8 12.0
130 2 7 1 26.36 52.72 0.288 7.74 8 25.7 3.2
131 7 2 1 26.394 52.789 0.289 7.71 8 34.8 5.8
132 3 7 0 26.632 53.264 0.291 7.56 4 109.3 28.2
133 7 3 0 26.662 53.324 0.291 7.54 4 160.4 60.6
134 3 4 3 27.196 54.392 0.297 7.21 8 24.4 2.7
135 4 3 3 27.201 54.403 0.297 7.2 8 53.6 12.9
136 5 0 3 27.208 54.416 0.297 7.2 4 109.6 27.0
137 3 6 2 27.291 54.583 0.298 7.15 8 47.3 10.0
138 6 3 2 27.312 54.623 0.298 7.14 8 39.0 6.8
139 1 5 3 27.433 54.867 0.299 7.07 8 42.7 8.0
140 5 1 3 27.451 54.902 0.299 7.06 8 39.0 6.7
141 3 7 1 27.591 55.182 0.301 6.97 8 44.5 8.6
142 7 3 1 27.621 55.241 0.301 6.96 8 30.7 4.1
143 0 0 4 27.783 55.567 0.303 6.87 2 243.4 63.6
144 1 0 4 28.024 56.048 0.305 6.73 4 0.0 0.0
145 0 8 0 28.084 56.167 0.306 6.7 2 166.0 28.9
146 8 0 0 28.13 56.261 0.306 6.67 2 32.0 1.1
147 2 5 3 28.157 56.314 0.306 6.66 8 52.0 11.3
148 5 2 3 28.172 56.345 0.306 6.65 8 19.7 1.6
149 1 1 4 28.262 56.525 0.307 6.6 8 13.6 0.8
150 7 0 2 28.283 56.566 0.308 6.59 4 23.4 1.1
151 5 6 1 28.321 56.643 0.308 6.57 8 68.3 19.2
152 6 5 1 28.329 56.659 0.308 6.57 8 87.4 31.4
153 1 7 2 28.485 56.971 0.31 6.49 8 26.2 2.8
154 5 5 2 28.503 57.005 0.31 6.48 8 126.9 65.3
155 7 1 2 28.52 57.04 0.31 6.47 8 11.8 0.6
156 0 2 4 28.735 57.47 0.312 6.36 4 78.1 12.1
157 2 0 4 28.738 57.476 0.312 6.36 4 55.3 6.1
158 4 4 3 28.875 57.75 0.313 6.29 8 41.1 6.6
159 4 6 2 28.967 57.934 0.314 6.25 8 62.3 15.2
160 1 2 4 28.97 57.941 0.314 6.24 8 0.0 0.0
161 2 1 4 28.972 57.945 0.314 6.24 8 0.0 0.0
162 6 4 2 28.981 57.962 0.315 6.24 8 72.7 20.7
163 0 8 1 29.01 58.021 0.315 6.23 4 85.0 14.1
164 2 8 0 29.032 58.063 0.315 6.22 4 20.2 0.8
165 8 0 1 29.056 58.112 0.315 6.2 4 96.4 18.0
166 8 2 0 29.075 58.149 0.315 6.19 4 90.0 15.7
167 2 7 2 29.192 58.384 0.317 6.14 8 31.8 3.9
168 7 2 2 29.224 58.448 0.317 6.12 8 51.7 10.2
169 1 8 1 29.244 58.489 0.317 6.11 8 73.7 20.7
170 4 7 1 29.255 58.51 0.317 6.11 8 48.4 8.9
171 7 4 1 29.279 58.557 0.317 6.1 8 35.5 4.8
172 8 1 1 29.289 58.579 0.318 6.09 8 11.7 0.5
173 3 5 3 29.337 58.674 0.318 6.07 8 92.3 32.3
174 5 3 3 29.348 58.697 0.318 6.07 8 14.4 0.8
175 2 2 4 29.67 59.339 0.321 5.92 8 40.0 5.9
176 0 6 3 29.793 59.586 0.323 5.86 4 11.6 0.2
177 6 0 3 29.818 59.637 0.323 5.85 4 33.5 2.1
178 3 0 4 29.903 59.806 0.324 5.82 4 0.0 0.0
179 2 8 1 29.94 59.879 0.324 5.8 8 50.6 9.3
180 6 6 0 29.98 59.96 0.324 5.78 4 22.5 0.9
181 8 2 1 29.982 59.963 0.324 5.78 8 26.2 2.5
182 1 6 3 30.023 60.046 0.325 5.76 8 34.3 4.2
183 6 1 3 30.048 60.095 0.325 5.75 8 22.5 1.8
184 1 3 4 30.127 60.253 0.326 5.72 8 68.8 17.0
185 3 1 4 30.132 60.264 0.326 5.72 8 50.7 9.2
186 3 7 2 30.346 60.693 0.328 5.63 8 7.0 0.2
187 7 3 2 30.374 60.748 0.328 5.62 8 42.2 6.3
188 5 7 0 30.429 60.857 0.329 5.59 4 54.0 5.1
189 7 5 0 30.445 60.891 0.329 5.59 4 51.3 4.6
190 2 6 3 30.708 61.415 0.331 5.48 8 53.8 9.9
191 6 2 3 30.73 61.459 0.332 5.47 8 46.3 7.4
192 2 3 4 30.81 61.619 0.332 5.44 8 0.0 0.0
193 3 2 4 30.813 61.626 0.333 5.44 8 0.0 0.0
194 6 6 1 30.871 61.742 0.333 5.42 8 11.1 0.4
195 4 5 3 30.941 61.883 0.334 5.39 8 5.3 0.1
196 5 4 3 30.947 61.895 0.334 5.39 8 60.8 12.4
197 5 6 2 31.035 62.071 0.335 5.35 8 38.5 5.0
198 6 5 2 31.043 62.086 0.335 5.35 8 17.3 1.0
199 3 8 1 31.077 62.154 0.335 5.34 8 7.6 0.2
200 8 3 1 31.115 62.23 0.335 5.32 8 1.1 0.0
201 5 7 1 31.312 62.624 0.337 5.25 8 33.3 3.6
202 7 5 1 31.328 62.657 0.338 5.24 8 14.5 0.7
203 0 4 4 31.479 62.958 0.339 5.19 4 8.4 0.1
204 4 0 4 31.49 62.98 0.339 5.19 4 47.0 3.6
205 0 8 2 31.688 63.376 0.341 5.11 4 106.7 18.2
206 1 4 4 31.702 63.404 0.341 5.11 8 0.0 0.0
207 4 1 4 31.712 63.425 0.341 5.11 8 0.0 0.0
208 8 0 2 31.732 63.463 0.341 5.1 4 177.1 50.0
209 4 8 0 31.768 63.537 0.342 5.09 4 145.2 33.5
210 8 4 0 31.801 63.602 0.342 5.07 4 132.3 27.8
211 3 6 3 31.829 63.658 0.342 5.06 8 34.8 3.8
212 6 3 3 31.847 63.695 0.343 5.06 8 94.1 28.0
213 1 8 2 31.91 63.82 0.343 5.04 8 36.9 4.3
214 4 7 2 31.92 63.841 0.343 5.03 8 14.2 0.6
215 3 3 4 31.929 63.858 0.343 5.03 8 33.2 3.5
216 7 4 2 31.943 63.885 0.343 5.03 8 63.1 12.5
217 8 1 2 31.953 63.906 0.344 5.02 8 7.8 0.2
218 1 9 0 32.2 64.4 0.346 4.94 4 8.0 0.1
219 9 1 0 32.254 64.507 0.346 4.92 4 54.1 4.5
220 2 4 4 32.366 64.732 0.347 4.88 8 109.2 36.5
221 4 2 4 32.374 64.748 0.348 4.88 8 43.0 5.6
222 2 8 2 32.572 65.144 0.349 4.82 8 26.7 2.2
223 8 2 2 32.612 65.224 0.35 4.8 8 20.1 1.2
224 4 8 1 32.631 65.262 0.35 4.8 8 70.1 14.7
225 8 4 1 32.663 65.326 0.35 4.79 8 7.1 0.2
226 7 0 3 32.735 65.47 0.351 4.77 4 11.4 0.2
227 9 0 1 32.893 65.785 0.353 4.72 4 105.6 16.5
228 1 7 3 32.921 65.841 0.353 4.71 8 52.9 8.2
229 5 5 3 32.937 65.873 0.353 4.7 8 74.6 16.4
230 7 1 3 32.952 65.905 0.353 4.7 8 13.0 0.5
231 1 9 1 33.057 66.113 0.354 4.67 8 15.0 0.7
232 9 1 1 33.11 66.219 0.355 4.65 8 21.6 1.4
233 4 6 3 33.364 66.728 0.357 4.58 8 24.9 1.8
234 6 4 3 33.377 66.754 0.357 4.57 8 29.5 2.5
235 3 4 4 33.457 66.914 0.358 4.55 8 0.0 0.0
236 4 3 4 33.461 66.923 0.358 4.55 8 0.0 0.0
237 6 6 2 33.462 66.923 0.358 4.55 8 88.0 22.0
238 5 0 4 33.467 66.935 0.358 4.55 4 0.0 0.0
239 2 7 3 33.572 67.143 0.359 4.52 8 20.1 1.1
240 7 2 3 33.601 67.203 0.359 4.51 8 44.9 5.7
241 3 8 2 33.659 67.318 0.36 4.49 8 55.5 8.7
242 1 5 4 33.667 67.334 0.36 4.49 8 90.4 23.0
243 5 1 4 33.683 67.365 0.36 4.49 8 101.7 29.0
244 8 3 2 33.695 67.391 0.36 4.48 8 6.3 0.1
245 2 9 1 33.706 67.413 0.36 4.48 8 0.7 0.0
246 6 7 1 33.727 67.455 0.36 4.47 8 15.4 0.7
247 7 6 1 33.736 67.472 0.36 4.47 8 28.4 2.3
248 9 2 1 33.757 67.514 0.361 4.47 8 12.9 0.5
249 5 7 2 33.884 67.769 0.362 4.43 8 61.8 10.6
250 7 5 2 33.9 67.8 0.362 4.43 8 40.9 4.6
251 3 9 0 33.941 67.882 0.362 4.41 4 2.1 0.0
252 9 3 0 33.988 67.976 0.363 4.4 4 58.0 4.6
253 2 5 4 34.311 68.622 0.366 4.32 8 0.0 0.0
254 5 2 4 34.325 68.649 0.366 4.31 8 0.0 0.0
255 5 8 1 34.574 69.149 0.368 4.25 8 18.9 1.0
256 8 5 1 34.6 69.199 0.369 4.24 8 46.2 5.7
257 3 7 3 34.643 69.286 0.369 4.23 8 0.4 0.0
258 7 3 3 34.669 69.338 0.369 4.23 8 55.4 8.1
259 3 9 1 34.776 69.552 0.37 4.2 8 36.8 3.6
260 9 3 1 34.823 69.645 0.371 4.19 8 38.8 3.9
261 4 4 4 34.955 69.91 0.372 4.16 8 100.6 26.3
262 4 8 2 35.153 70.307 0.374 4.11 8 116.2 34.7
263 8 4 2 35.184 70.369 0.374 4.1 8 8.3 0.2
264 5 6 3 35.287 70.575 0.375 4.08 8 26.0 1.7
265 6 5 3 35.294 70.589 0.375 4.08 8 54.6 7.6
266 3 5 4 35.372 70.744 0.376 4.06 8 171.3 74.5
267 5 3 4 35.382 70.765 0.376 4.06 8 70.4 12.6
268 9 0 2 35.406 70.811 0.376 4.05 4 30.5 1.2
269 1 9 2 35.564 71.128 0.378 4.01 8 25.8 1.7
270 9 1 2 35.615 71.231 0.378 4.0 8 49.5 6.1
271 0 0 5 35.638 71.276 0.378 4.0 2 38.7 0.9
272 7 7 0 35.66 71.321 0.378 3.99 4 6.4 0.1
273 0 6 4 35.785 71.571 0.38 3.97 4 184.6 42.3
274 6 0 4 35.809 71.617 0.38 3.96 4 64.0 5.1
275 1 0 5 35.848 71.696 0.38 3.95 4 30.4 1.1
276 0 8 3 35.9 71.8 0.381 3.94 4 34.3 1.5
277 8 0 3 35.941 71.882 0.381 3.93 4 123.9 18.9
278 1 6 4 35.995 71.99 0.381 3.92 8 0.0 0.0
279 6 1 4 36.017 72.035 0.382 3.92 8 0.0 0.0
280 0 10 0 36.047 72.094 0.382 3.91 2 135.0 11.1
281 1 1 5 36.057 72.113 0.382 3.91 8 1.9 0.0
282 6 8 0 36.07 72.14 0.382 3.9 4 10.5 0.1
283 8 6 0 36.088 72.176 0.382 3.9 4 18.2 0.4
284 1 8 3 36.109 72.219 0.383 3.9 8 99.7 24.2
285 10 0 0 36.111 72.222 0.383 3.9 2 116.5 8.3
286 4 7 3 36.119 72.238 0.383 3.89 8 63.8 9.9
287 7 4 3 36.14 72.28 0.383 3.89 8 33.1 2.7
288 8 1 3 36.149 72.299 0.383 3.89 8 0.7 0.0
289 2 9 2 36.193 72.385 0.383 3.88 8 18.5 0.8
290 6 7 2 36.213 72.426 0.383 3.87 8 9.9 0.2
291 7 6 2 36.221 72.443 0.384 3.87 8 14.5 0.5
292 9 2 2 36.242 72.484 0.384 3.87 8 44.7 4.8
293 4 9 1 36.249 72.498 0.384 3.87 8 52.2 6.6
294 9 4 1 36.291 72.581 0.384 3.86 8 30.9 2.3
295 0 2 5 36.472 72.944 0.386 3.82 4 28.4 1.0
296 2 0 5 36.475 72.949 0.386 3.82 4 30.8 1.1
297 7 7 1 36.478 72.956 0.386 3.82 8 55.9 7.5
298 2 6 4 36.621 73.241 0.387 3.79 8 15.4 0.6
299 6 2 4 36.641 73.282 0.387 3.79 8 92.2 20.1
300 1 2 5 36.68 73.36 0.388 3.78 8 9.8 0.2
301 2 1 5 36.682 73.364 0.388 3.78 8 26.1 1.6
302 2 8 3 36.734 73.468 0.388 3.77 8 25.5 1.5
303 8 2 3 36.772 73.544 0.389 3.76 8 34.3 2.8
304 4 5 4 36.835 73.67 0.389 3.75 8 0.0 0.0
305 5 4 4 36.841 73.682 0.389 3.75 8 0.0 0.0
306 0 10 1 36.861 73.722 0.389 3.75 4 138.3 22.4
307 2 10 0 36.88 73.76 0.39 3.74 4 59.0 4.1
308 6 8 1 36.884 73.768 0.39 3.74 8 46.9 5.1
309 8 6 1 36.902 73.803 0.39 3.74 8 96.0 21.6
310 10 0 1 36.924 73.849 0.39 3.73 4 22.7 0.6
311 10 2 0 36.941 73.881 0.39 3.73 4 73.8 6.4
312 5 8 2 37.035 74.07 0.391 3.71 8 32.0 2.4
313 8 5 2 37.06 74.119 0.391 3.71 8 7.6 0.1
314 1 10 1 37.068 74.136 0.391 3.71 8 23.4 1.3
315 10 1 1 37.131 74.261 0.392 3.7 8 36.4 3.1
316 3 9 2 37.231 74.462 0.393 3.68 8 64.6 9.6
317 9 3 2 37.276 74.553 0.393 3.67 8 71.8 11.8
318 2 2 5 37.301 74.602 0.393 3.66 8 38.4 3.4
319 5 9 0 37.305 74.611 0.393 3.66 4 47.3 2.6
320 9 5 0 37.341 74.682 0.394 3.66 4 41.8 2.0
321 3 0 5 37.51 75.02 0.395 3.63 4 38.4 1.7
322 6 6 3 37.579 75.157 0.396 3.62 8 38.2 3.3
323 3 6 4 37.654 75.309 0.397 3.6 8 0.0 0.0
324 6 3 4 37.671 75.343 0.397 3.6 8 0.0 0.0
325 2 10 1 37.687 75.374 0.397 3.6 8 19.1 0.8
326 1 3 5 37.71 75.42 0.397 3.59 8 69.3 10.8
327 3 1 5 37.715 75.43 0.397 3.59 8 39.8 3.6
328 10 2 1 37.747 75.495 0.397 3.59 8 4.2 0.0
329 3 8 3 37.767 75.533 0.398 3.58 8 14.8 0.5
330 8 3 3 37.801 75.602 0.398 3.58 8 5.0 0.1
331 5 7 3 37.981 75.963 0.399 3.55 8 30.1 2.0
332 7 5 3 37.997 75.993 0.4 3.54 8 36.7 3.0
333 5 9 1 38.109 76.219 0.401 3.53 8 6.9 0.1
334 9 5 1 38.145 76.289 0.401 3.52 8 18.2 0.7
335 2 3 5 38.325 76.65 0.403 3.49 8 49.3 5.3
336 3 2 5 38.328 76.657 0.403 3.49 8 49.3 5.3
337 7 0 4 38.497 76.994 0.404 3.46 4 0.0 0.0
338 4 9 2 38.667 77.335 0.406 3.44 8 21.4 1.0
339 1 7 4 38.67 77.341 0.406 3.44 8 49.1 5.2
340 5 5 4 38.685 77.371 0.406 3.44 8 13.1 0.4
341 7 1 4 38.7 77.401 0.406 3.43 8 38.7 3.2
342 9 4 2 38.708 77.416 0.406 3.43 8 47.7 4.9
343 3 10 1 38.711 77.422 0.406 3.43 8 8.9 0.2
344 10 3 1 38.767 77.535 0.406 3.42 8 43.2 4.0
345 7 7 2 38.891 77.782 0.408 3.41 8 6.6 0.1
346 0 4 5 38.933 77.866 0.408 3.4 4 85.8 7.8
347 4 0 5 38.943 77.886 0.408 3.4 4 1.5 0.0
348 4 6 4 39.086 78.172 0.409 3.38 8 3.9 0.0
349 6 4 4 39.098 78.196 0.409 3.38 8 40.7 3.5
350 1 4 5 39.136 78.273 0.41 3.37 8 18.4 0.7
351 4 1 5 39.146 78.291 0.41 3.37 8 85.3 15.3
352 4 8 3 39.197 78.394 0.41 3.36 8 77.5 12.6
353 8 4 3 39.227 78.453 0.41 3.36 8 10.2 0.2
354 0 10 2 39.266 78.532 0.411 3.35 4 52.3 2.9
355 2 7 4 39.281 78.562 0.411 3.35 8 0.0 0.0
356 6 8 2 39.288 78.577 0.411 3.35 8 94.3 18.6
357 8 6 2 39.306 78.612 0.411 3.35 8 71.7 10.7
358 7 2 4 39.309 78.618 0.411 3.35 8 0.0 0.0
359 10 0 2 39.328 78.656 0.411 3.34 4 2.1 0.0
360 4 10 0 39.339 78.679 0.411 3.34 4 152.2 24.2
361 3 3 5 39.344 78.688 0.412 3.34 8 33.2 2.3
362 10 4 0 39.391 78.783 0.412 3.33 4 94.0 9.2
363 9 0 3 39.439 78.879 0.412 3.33 4 57.1 3.4
364 1 10 2 39.469 78.938 0.413 3.32 8 5.0 0.1
365 10 1 2 39.53 79.061 0.413 3.32 8 24.6 1.3
366 7 8 1 39.546 79.092 0.413 3.31 8 123.8 31.8
367 8 7 1 39.555 79.111 0.413 3.31 8 28.2 1.7
368 1 9 3 39.592 79.184 0.414 3.31 8 27.4 1.6
369 9 1 3 39.641 79.283 0.414 3.3 8 7.6 0.1
370 2 4 5 39.745 79.49 0.415 3.29 8 27.8 1.6
371 4 2 5 39.752 79.504 0.415 3.29 8 31.1 2.0
372 2 10 2 40.076 80.152 0.418 3.25 8 3.2 0.0
373 4 10 1 40.131 80.262 0.418 3.24 8 26.0 1.4
374 10 2 2 40.135 80.271 0.418 3.24 8 17.8 0.6
375 10 4 1 40.183 80.365 0.419 3.23 8 55.1 6.1
376 2 9 3 40.199 80.397 0.419 3.23 8 25.1 1.3
377 6 7 3 40.218 80.437 0.419 3.23 8 2.4 0.0
378 7 6 3 40.226 80.453 0.419 3.23 8 33.5 2.3
379 9 2 3 40.246 80.492 0.419 3.22 8 30.8 1.9
380 3 7 4 40.293 80.585 0.42 3.22 8 126.6 32.3
381 7 3 4 40.317 80.635 0.42 3.22 8 157.1 49.7
382 6 9 1 40.344 80.689 0.42 3.21 8 2.2 0.0
383 9 6 1 40.372 80.744 0.42 3.21 8 8.3 0.1
384 5 9 2 40.491 80.983 0.421 3.2 8 25.8 1.3
385 9 5 2 40.526 81.052 0.422 3.19 8 60.1 7.2
386 1 11 0 40.539 81.079 0.422 3.19 4 15.9 0.3
387 11 1 0 40.613 81.227 0.423 3.18 4 41.9 1.8
388 3 4 5 40.754 81.507 0.424 3.17 8 21.7 0.9
389 4 3 5 40.758 81.516 0.424 3.16 8 40.3 3.2
390 5 0 5 40.764 81.527 0.424 3.16 4 80.0 6.3
391 5 6 4 40.905 81.81 0.425 3.15 8 0.0 0.0
392 6 5 4 40.912 81.823 0.425 3.15 8 0.0 0.0
393 1 5 5 40.949 81.899 0.425 3.14 8 33.7 2.2
394 5 1 5 40.964 81.928 0.426 3.14 8 31.9 2.0
395 5 8 3 41.015 82.029 0.426 3.14 8 18.8 0.7
396 8 5 3 41.039 82.077 0.426 3.13 8 31.1 1.9
397 3 10 2 41.083 82.166 0.427 3.13 8 40.7 3.2
398 10 3 2 41.139 82.278 0.427 3.12 8 33.3 2.2
399 11 0 1 41.199 82.398 0.428 3.12 4 52.1 2.6
400 3 9 3 41.205 82.41 0.428 3.12 8 3.8 0.0
401 9 3 3 41.249 82.498 0.428 3.11 8 71.1 9.8
402 1 11 1 41.325 82.651 0.429 3.1 8 10.6 0.2
403 11 1 1 41.399 82.798 0.429 3.1 8 8.2 0.1
404 0 8 4 41.49 82.98 0.43 3.09 4 70.7 4.8
405 8 0 4 41.529 83.058 0.43 3.08 4 31.4 1.0
406 2 5 5 41.551 83.103 0.431 3.08 8 43.0 3.6
407 5 2 5 41.564 83.129 0.431 3.08 8 14.3 0.4
408 1 8 4 41.69 83.381 0.432 3.07 8 0.0 0.0
409 4 7 4 41.7 83.399 0.432 3.07 8 0.0 0.0
410 7 4 4 41.72 83.44 0.432 3.06 8 0.0 0.0
411 8 1 4 41.729 83.458 0.432 3.06 8 0.0 0.0
412 8 8 0 41.779 83.559 0.432 3.06 4 101.0 9.8
413 7 8 2 41.907 83.815 0.434 3.05 8 8.7 0.1
414 8 7 2 41.916 83.833 0.434 3.05 8 4.1 0.0
415 2 11 1 41.927 83.853 0.434 3.05 8 8.4 0.1
416 5 10 1 41.939 83.879 0.434 3.04 8 51.3 5.0
417 10 5 1 41.985 83.971 0.434 3.04 8 31.0 1.8
418 11 2 1 41.998 83.996 0.434 3.04 8 82.2 12.9
419 3 11 0 42.145 84.29 0.436 3.03 4 107.3 10.9
420 4 4 5 42.158 84.315 0.436 3.02 8 33.0 2.1
421 7 9 0 42.169 84.338 0.436 3.02 4 13.8 0.2
422 9 7 0 42.189 84.378 0.436 3.02 4 33.7 1.1
423 11 3 0 42.213 84.426 0.436 3.02 4 22.6 0.5
424 2 8 4 42.291 84.581 0.437 3.01 8 60.4 6.9
425 8 2 4 42.327 84.655 0.437 3.01 8 16.4 0.5
426 4 10 2 42.485 84.97 0.438 3.0 8 9.9 0.2
427 10 4 2 42.536 85.073 0.439 2.99 8 12.6 0.3
428 3 5 5 42.552 85.104 0.439 2.99 8 73.7 10.2
429 8 8 1 42.561 85.123 0.439 2.99 8 65.1 7.9
430 5 3 5 42.562 85.123 0.439 2.99 8 13.3 0.3
431 4 9 3 42.606 85.213 0.439 2.99 8 76.4 10.9
432 9 4 3 42.646 85.292 0.44 2.98 8 42.0 3.3
433 6 9 2 42.697 85.393 0.44 2.98 8 9.0 0.2
434 9 6 2 42.724 85.448 0.44 2.98 8 15.9 0.5
435 7 7 3 42.826 85.651 0.441 2.97 8 63.7 7.5
436 3 11 1 42.926 85.852 0.442 2.96 8 13.2 0.3
437 0 6 5 42.944 85.889 0.442 2.96 4 12.0 0.1
438 7 9 1 42.95 85.9 0.442 2.96 8 20.3 0.8
439 6 0 5 42.966 85.933 0.442 2.96 4 24.5 0.6
440 9 7 1 42.97 85.939 0.442 2.96 8 41.0 3.1
441 11 3 1 42.994 85.988 0.443 2.95 8 16.0 0.5
442 6 6 4 43.106 86.213 0.444 2.95 8 25.6 1.2
443 1 6 5 43.144 86.288 0.444 2.94 8 26.2 1.3
444 6 1 5 43.165 86.33 0.444 2.94 8 19.8 0.7
445 0 10 3 43.193 86.387 0.444 2.94 4 46.8 2.0
446 6 8 3 43.215 86.431 0.444 2.94 8 21.3 0.8
447 8 6 3 43.232 86.465 0.445 2.94 8 26.5 1.3
448 10 0 3 43.254 86.509 0.445 2.93 4 25.8 0.6
449 3 8 4 43.289 86.578 0.445 2.93 8 0.0 0.0
450 8 3 4 43.322 86.645 0.445 2.93 8 0.0 0.0
451 6 10 0 43.355 86.711 0.446 2.93 4 0.7 0.0
452 1 10 3 43.393 86.786 0.446 2.92 8 46.6 4.0
453 10 6 0 43.394 86.789 0.446 2.92 4 79.3 5.8
454 10 1 3 43.453 86.906 0.446 2.92 8 0.0 0.0
455 5 7 4 43.497 86.994 0.447 2.92 8 42.9 3.4
456 7 5 4 43.512 87.024 0.447 2.92 8 12.2 0.3
457 11 0 2 43.544 87.087 0.447 2.91 4 14.4 0.2
458 1 11 2 43.669 87.338 0.448 2.91 8 43.9 3.5
459 2 6 5 43.742 87.484 0.449 2.9 8 43.8 3.5
460 11 1 2 43.742 87.484 0.449 2.9 8 8.8 0.1
461 6 2 5 43.761 87.523 0.449 2.9 8 38.4 2.7
462 4 5 5 43.948 87.895 0.45 2.89 8 6.6 0.1
463 5 4 5 43.953 87.906 0.451 2.89 8 50.2 4.6
464 2 10 3 43.99 87.981 0.451 2.88 8 28.4 1.5
465 10 2 3 44.049 88.098 0.451 2.88 8 40.7 3.0
466 6 10 1 44.134 88.269 0.452 2.88 8 12.4 0.3
467 10 6 1 44.173 88.346 0.452 2.87 8 11.7 0.2
468 2 11 2 44.267 88.533 0.453 2.87 8 20.1 0.7
469 5 10 2 44.279 88.559 0.453 2.87 8 45.3 3.7
470 4 11 1 44.321 88.641 0.454 2.86 8 5.1 0.0
471 10 5 2 44.325 88.65 0.454 2.86 8 4.2 0.0
472 11 2 2 44.338 88.676 0.454 2.86 8 15.1 0.4
473 0 0 6 44.362 88.725 0.454 2.86 2 20.5 0.2
474 11 4 1 44.384 88.769 0.454 2.86 8 54.9 5.4
475 5 9 3 44.4 88.8 0.454 2.86 8 28.3 1.4
476 9 5 3 44.434 88.868 0.454 2.86 8 19.8 0.7
477 1 0 6 44.562 89.123 0.455 2.85 4 60.8 3.3
478 4 8 4 44.683 89.366 0.456 2.84 8 34.1 2.1
479 8 4 4 44.712 89.424 0.457 2.84 8 9.2 0.2
480 3 6 5 44.737 89.474 0.457 2.84 8 30.6 1.7
481 6 3 5 44.754 89.507 0.457 2.84 8 74.6 9.9
482 1 1 6 44.76 89.52 0.457 2.84 8 3.8 0.0
483 8 8 2 44.898 89.797 0.458 2.83 8 23.0 0.9
484 9 0 4 44.921 89.842 0.458 2.83 4 0.0 0.0
485 0 12 0 44.922 89.843 0.458 2.83 2 32.9 0.5
486 3 10 3 44.986 89.971 0.459 2.83 8 28.4 1.4
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 1 1 0 4.777 9.555 9.24895 83.4 15.4 15.5 5.6
2 0 0 1 6.692 13.384 6.61 366.0 67.5 67.7 5.6
3 2 0 0 6.769 13.538 6.535 206.1 38.0 38.2 5.6
4 1 0 1 7.504 15.007 5.89856 223.4 41.2 41.3 5.6
5 2 0 1 9.541 19.082 4.64723 173.1 31.9 31.9 5.6
6 2 2 0 9.588 19.176 4.62447 542.2 100.0 100.0 5.6
7 1 2 1 10.125 20.25 4.38168 172.3 31.8 31.7 5.6
8 1 3 0 10.726 21.452 4.13879 134.2 24.8 24.7 5.6
9 3 0 1 12.225 24.45 3.63762 12.1 2.2 2.2 5.6
10 3 1 1 12.696 25.392 3.5048 432.9 79.8 79.5 5.6
11 0 0 2 13.478 26.955 3.305 10.4 1.9 1.9 5.6
12 4 0 0 13.635 27.27 3.2675 44.2 8.1 8.1 5.6
13 1 0 2 13.91 27.82 3.20415 154.9 28.6 28.4 5.6
14 2 3 1 14.014 28.027 3.18097 219.8 40.5 40.3 5.6
15 3 3 0 14.469 28.937 3.08298 27.8 5.1 5.1 5.6
16 0 2 2 15.135 30.27 2.9502 199.1 36.7 36.4 5.6
17 4 0 1 15.246 30.493 2.92916 275.4 50.8 50.4 5.6
18 1 2 2 15.525 31.051 2.8778 65.4 12.1 12.0 5.6
19 1 4 1 15.615 31.231 2.8616 391.9 72.3 71.6 5.6
20 3 3 1 16.003 32.006 2.79402 43.7 8.1 8.0 5.6
21 2 2 2 16.647 33.293 2.68889 22.5 4.1 4.1 5.6
22 4 2 1 16.744 33.489 2.67362 307.0 56.6 56.0 5.7
23 1 3 2 17.353 34.706 2.58261 212.3 39.1 38.7 5.7
24 5 1 0 17.487 34.974 2.56339 25.8 4.8 4.7 5.7
25 3 4 1 18.458 36.916 2.43288 122.1 22.5 22.2 5.7
26 0 4 2 19.344 38.689 2.32541 59.0 10.9 10.7 5.7
27 4 4 0 19.459 38.918 2.31224 24.7 4.6 4.5 5.7
28 4 1 2 19.675 39.35 2.28785 8.9 1.6 1.6 5.7
29 5 2 1 19.757 39.514 2.27874 44.0 8.1 8.0 5.7
30 3 3 2 19.979 39.958 2.2544 27.4 5.1 5.0 5.7
31 3 5 0 20.076 40.151 2.24401 61.8 11.4 11.2 5.7
32 4 2 2 20.596 41.191 2.18971 173.9 32.1 31.5 5.7
33 0 6 0 20.675 41.35 2.18167 92.7 17.1 16.8 5.7
34 6 0 0 20.708 41.417 2.17833 14.0 2.6 2.5 5.7
35 5 3 1 21.268 42.537 2.12353 23.7 4.4 4.3 5.7
36 2 0 3 21.65 43.3 2.08786 12.5 2.3 2.3 5.7
37 2 6 0 21.853 43.706 2.06939 89.8 16.6 16.2 5.7
38 2 1 3 21.938 43.875 2.0618 13.1 2.4 2.4 5.7
39 4 3 2 22.06 44.12 2.05093 8.5 1.6 1.5 5.7
40 1 5 2 22.33 44.661 2.02733 13.6 2.5 2.4 5.7
41 2 2 3 22.784 45.567 1.9891 15.4 2.8 2.8 5.7
42 3 0 3 23.064 46.129 1.96619 8.1 1.5 1.5 5.7
43 2 5 2 23.168 46.335 1.9579 26.6 4.9 4.8 5.7
44 5 4 1 23.25 46.499 1.95138 23.2 4.3 4.2 5.7
45 1 3 3 23.332 46.663 1.9449 69.3 12.8 12.5 5.7
46 4 4 2 23.989 47.979 1.8946 10.6 2.0 1.9 5.7
47 3 2 3 24.146 48.291 1.88305 45.7 8.4 8.2 5.7
48 6 3 1 24.334 48.667 1.86939 14.8 2.7 2.7 5.7
49 3 5 2 24.513 49.027 1.85651 6.0 1.1 1.1 5.7
50 0 4 3 24.926 49.853 1.82768 37.0 6.8 6.6 5.7
51 6 0 2 25.056 50.113 1.81881 19.2 3.5 3.4 5.7
52 6 4 0 25.137 50.274 1.81333 125.5 23.1 22.5 5.8
53 4 1 3 25.198 50.395 1.80927 67.4 12.4 12.1 5.8
54 1 6 2 25.286 50.573 1.80333 7.6 1.4 1.4 5.8
55 7 0 1 25.384 50.769 1.79683 14.1 2.6 2.5 5.8
56 3 3 3 25.449 50.897 1.7926 9.9 1.8 1.8 5.8
57 5 5 1 25.621 51.242 1.78135 44.8 8.3 8.0 5.8
58 2 4 3 25.952 51.905 1.76014 14.2 2.6 2.5 5.8
59 6 2 2 26.076 52.151 1.7524 65.4 12.1 11.7 5.8
60 6 4 1 26.135 52.269 1.74873 9.2 1.7 1.7 5.8
61 5 4 2 26.318 52.635 1.73742 15.8 2.9 2.8 5.8
62 7 2 1 26.394 52.789 1.73272 5.8 1.1 1.0 5.8
63 3 7 0 26.632 53.264 1.71839 28.2 5.2 5.0 5.8
64 7 3 0 26.662 53.324 1.71658 60.6 11.2 10.8 5.8
65 5 0 3 27.208 54.416 1.6847 42.6 7.9 7.6 5.8
66 3 6 2 27.291 54.583 1.67994 16.8 3.1 3.0 5.8
67 1 5 3 27.433 54.867 1.67192 14.8 2.7 2.6 5.8
68 3 7 1 27.591 55.182 1.66311 8.6 1.6 1.5 5.8
69 0 0 4 27.783 55.567 1.6525 63.6 11.7 11.3 5.8
70 0 8 0 28.084 56.167 1.63625 28.9 5.3 5.1 5.8
71 2 5 3 28.157 56.314 1.63233 13.9 2.6 2.5 5.8
72 6 5 1 28.329 56.659 1.62322 50.6 9.3 9.0 5.8
73 5 5 2 28.503 57.005 1.61416 68.1 12.6 12.1 5.8
74 0 2 4 28.735 57.47 1.60222 18.2 3.4 3.2 5.8
75 4 4 3 28.875 57.75 1.5951 6.6 1.2 1.2 5.8
76 6 4 2 28.981 57.962 1.58977 35.8 6.6 6.4 5.8
77 0 8 1 29.01 58.021 1.58831 14.8 2.7 2.6 5.8
78 8 0 1 29.056 58.112 1.58602 33.7 6.2 6.0 5.8
79 1 8 1 29.244 58.489 1.57671 44.7 8.2 7.9 5.8
80 3 5 3 29.337 58.674 1.57217 33.1 6.1 5.9 5.8
81 2 2 4 29.67 59.339 1.55613 5.9 1.1 1.1 5.8
82 2 8 1 29.94 59.879 1.54338 9.3 1.7 1.6 5.8
83 1 6 3 30.023 60.046 1.53948 6.1 1.1 1.1 5.8
84 1 3 4 30.127 60.253 1.53469 26.1 4.8 4.6 5.8
85 7 3 2 30.374 60.748 1.52336 6.3 1.2 1.1 5.8
86 5 7 0 30.429 60.857 1.5209 9.7 1.8 1.7 5.8
87 2 6 3 30.708 61.415 1.50841 17.3 3.2 3.1 5.8
88 5 4 3 30.947 61.895 1.49786 12.4 2.3 2.2 5.8
89 5 6 2 31.035 62.071 1.49404 6.0 1.1 1.1 5.8
90 0 8 2 31.688 63.376 1.46638 18.2 3.4 3.2 5.9
91 8 0 2 31.732 63.463 1.46458 50.0 9.2 8.8 5.9
92 4 8 0 31.768 63.537 1.46306 33.5 6.2 5.9 5.9
93 8 4 0 31.801 63.602 1.46172 31.6 5.8 5.6 5.9
94 6 3 3 31.847 63.695 1.45981 28.0 5.2 4.9 5.9
95 1 8 2 31.91 63.82 1.45724 8.4 1.5 1.5 5.9
96 7 4 2 31.943 63.885 1.45591 12.7 2.3 2.2 5.9
97 2 4 4 32.366 64.732 1.4389 42.1 7.8 7.4 5.9
98 4 8 1 32.631 65.262 1.42849 16.0 2.9 2.8 5.9
99 9 0 1 32.893 65.785 1.41839 24.7 4.6 4.3 5.9
100 5 5 3 32.937 65.873 1.41671 16.9 3.1 3.0 5.9
101 6 6 2 33.462 66.923 1.39701 22.0 4.1 3.9 5.9
102 7 2 3 33.601 67.203 1.39188 5.7 1.1 1.0 5.9
103 5 1 4 33.683 67.365 1.38891 60.6 11.2 10.6 5.9
104 5 7 2 33.884 67.769 1.38162 15.2 2.8 2.7 5.9
105 8 5 1 34.6 69.199 1.35651 5.7 1.0 1.0 5.9
106 7 3 3 34.669 69.338 1.35413 8.1 1.5 1.4 5.9
107 4 4 4 34.955 69.91 1.34445 26.3 4.8 4.6 5.9
108 4 8 2 35.153 70.307 1.33783 34.7 6.4 6.0 5.9
109 6 5 3 35.294 70.589 1.33318 9.3 1.7 1.6 5.9
110 3 5 4 35.372 70.744 1.33063 87.0 16.0 15.1 5.9
111 9 1 2 35.615 71.231 1.32273 7.1 1.3 1.2 5.9
112 0 6 4 35.785 71.571 1.31728 47.3 8.7 8.2 5.9
113 8 0 3 35.941 71.882 1.31234 18.9 3.5 3.3 5.9
114 0 10 0 36.047 72.094 1.309 11.3 2.1 2.0 5.9
115 1 8 3 36.109 72.219 1.30705 42.4 7.8 7.3 5.9
116 4 9 1 36.249 72.498 1.30269 11.4 2.1 2.0 5.9
117 7 7 1 36.478 72.956 1.29565 8.6 1.6 1.5 6.0
118 6 2 4 36.641 73.282 1.29069 20.1 3.7 3.5 6.0
119 0 10 1 36.861 73.722 1.28406 31.6 5.8 5.5 6.0
120 8 6 1 36.902 73.803 1.28285 22.2 4.1 3.8 6.0
121 10 2 0 36.941 73.881 1.28169 6.4 1.2 1.1 6.0
122 3 9 2 37.231 74.462 1.27313 9.6 1.8 1.7 6.0
123 9 3 2 37.276 74.553 1.2718 17.8 3.3 3.1 6.0
124 1 3 5 37.71 75.42 1.25932 14.4 2.6 2.5 6.0
125 2 3 5 38.325 76.65 1.24214 10.6 2.0 1.8 6.0
126 1 7 4 38.67 77.341 1.23277 8.8 1.6 1.5 6.0
127 0 4 5 38.933 77.866 1.22576 7.8 1.4 1.3 6.0
128 4 1 5 39.146 78.291 1.22016 15.3 2.8 2.6 6.0
129 4 8 3 39.197 78.394 1.21882 12.9 2.4 2.2 6.0
130 6 8 2 39.288 78.577 1.21644 32.3 5.9 5.5 6.0
131 4 10 0 39.339 78.679 1.21512 26.5 4.9 4.5 6.0
132 10 4 0 39.391 78.783 1.21377 9.2 1.7 1.6 6.0
133 8 7 1 39.555 79.111 1.20956 34.7 6.4 5.9 6.0
134 10 4 1 40.183 80.365 1.19381 7.4 1.4 1.3 6.0
135 7 3 4 40.317 80.635 1.1905 81.9 15.1 14.0 6.1
136 9 5 2 40.526 81.052 1.18543 7.5 1.4 1.3 6.1
137 5 0 5 40.764 81.527 1.17971 9.5 1.8 1.6 6.1
138 9 3 3 41.249 82.498 1.16827 9.8 1.8 1.7 6.1
139 8 8 0 41.779 83.559 1.15612 9.8 1.8 1.7 6.1
140 11 2 1 41.998 83.996 1.15121 14.7 2.7 2.5 6.1
141 3 11 0 42.145 84.29 1.14795 13.1 2.4 2.2 6.1
142 2 8 4 42.291 84.581 1.14473 6.9 1.3 1.2 6.1
143 3 5 5 42.552 85.104 1.13903 18.4 3.4 3.1 6.1
144 4 9 3 42.606 85.213 1.13785 10.9 2.0 1.8 6.1
145 7 7 3 42.826 85.651 1.13315 7.5 1.4 1.3 6.1
146 10 6 0 43.394 86.789 1.1212 9.7 1.8 1.6 6.1
147 2 6 5 43.742 87.484 1.11407 6.3 1.2 1.1 6.2
148 11 4 1 44.384 88.769 1.10124 6.8 1.3 1.1 6.2
149 6 3 5 44.754 89.507 1.09405 11.6 2.1 1.9 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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