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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ZOISITE
6, t-zoisite, f-epidote, at 0.0001 GPa
Ca(2)Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
24 .1 .13
Ref.Str.:
Alvaro M., Angel R.J., Camara F. (2012)
* Amer. Mineral., 97, 1165-1176
R: from Merelani Hills, Tanzania. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.2004 alpha = 90.0
b = 5.5529 beta = 90.0
c = 10.0423 gamma = 90.0
Unit cell volume (cub. angs.) = 903.4
Molar volume ( cub.cm/mol.) = 136.04
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4108 0.75 0.2828 0.0 Si = 1.00
2 0.0815 0.25 0.1061 0.0 Si = 1.00
3 0.1603 0.25 0.4355 0.0 Si = 1.00
4 0.2495 0.9971 0.1895 0.0 Al = 1.00
5 0.106 0.75 0.3005 0.0 Al = 1.00
6 0.3667 0.25 0.4375 0.0 Ca = 1.00
7 0.4518 0.25 0.115 0.0 Ca = 1.00
8 0.1305 0.9998 0.1465 0.0 O = 1.00
9 0.1014 0.0132 0.4302 0.0 O = 1.00
10 0.3591 0.9917 0.2452 0.0 O = 1.00
11 0.219 0.75 0.3014 0.0 O = 1.00
12 0.2277 0.25 0.3122 0.0 O = 1.00
13 0.2718 0.75 0.06 0.0 O = 1.00
14 0.991 0.25 0.1647 0.0 O = 1.00
15 0.9969 0.75 0.2938 0.0 O = 1.00
16 0.4202 0.75 0.4429 0.0 O = 1.00
17 0.2677 0.25 0.0743 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4108 0.75 0.2828
2 2 0.0815 0.25 0.1061
3 3 0.1603 0.25 0.4355
4 4 0.2495 0.9971 0.1895
5 5 0.106 0.75 0.3005
6 6 0.3667 0.25 0.4375
7 7 0.4518 0.25 0.115
8 8 0.1305 0.9998 0.1465
9 9 0.1014 0.0132 0.4302
10 10 0.3591 0.9917 0.2452
11 11 0.219 0.75 0.3014
12 12 0.2277 0.25 0.3122
13 13 0.2718 0.75 0.06
14 14 0.991 0.25 0.1647
15 15 0.9969 0.75 0.2938
16 16 0.4202 0.75 0.4429
17 17 0.2677 0.25 0.0743
18 1 0.0892 0.25 0.7828
19 2 0.4185 0.75 0.6061
20 3 0.3397 0.75 0.9355
21 4 0.2505 0.0029 0.6895
22 5 0.394 0.25 0.8005
23 6 0.1333 0.75 0.9375
24 7 0.0482 0.75 0.615
25 8 0.3695 0.0002 0.6465
26 9 0.3986 0.9868 0.9302
27 10 0.1409 0.0083 0.7452
28 11 0.281 0.25 0.8014
29 12 0.2723 0.75 0.8122
30 13 0.2282 0.25 0.56
31 14 0.509 0.75 0.6647
32 15 0.5031 0.25 0.7938
33 16 0.0798 0.25 0.9429
34 17 0.2323 0.75 0.5743
35 4 0.2505 0.4971 0.6895
36 8 0.3695 0.4998 0.6465
37 9 0.3986 0.5132 0.9302
38 10 0.1409 0.4917 0.7452
39 4 0.2495 0.5029 0.1895
40 8 0.1305 0.5002 0.1465
41 9 0.1014 0.4868 0.4302
42 10 0.3591 0.5083 0.2452
43 1 0.9108 0.75 0.2172
44 2 0.5815 0.25 0.3939
45 3 0.6603 0.25 0.0645
46 4 0.7495 0.9971 0.3105
47 5 0.606 0.75 0.1995
48 6 0.8667 0.25 0.0625
49 7 0.9518 0.25 0.385
50 8 0.6305 0.9998 0.3535
51 9 0.6014 0.0132 0.0698
52 10 0.8591 0.9917 0.2548
53 11 0.719 0.75 0.1986
54 12 0.7277 0.25 0.1878
55 13 0.7718 0.75 0.44
56 14 0.491 0.25 0.3353
57 15 0.4969 0.75 0.2062
58 16 0.9202 0.75 0.0571
59 17 0.7677 0.25 0.4257
60 1 0.5892 0.25 0.7172
61 2 0.9185 0.75 0.8939
62 3 0.8397 0.75 0.5645
63 4 0.7505 0.0029 0.8105
64 5 0.894 0.25 0.6995
65 6 0.6333 0.75 0.5625
66 7 0.5482 0.75 0.885
67 8 0.8695 0.0002 0.8535
68 9 0.8986 0.9868 0.5698
69 10 0.6409 0.0083 0.7548
70 11 0.781 0.25 0.6986
71 12 0.7723 0.75 0.6878
72 13 0.7282 0.25 0.94
73 14 0.009 0.75 0.8353
74 15 0.0031 0.25 0.7062
75 16 0.5798 0.25 0.5571
76 17 0.7323 0.75 0.9257
77 4 0.7505 0.4971 0.8105
78 8 0.8695 0.4998 0.8535
79 9 0.8986 0.5132 0.5698
80 10 0.6409 0.4917 0.7548
81 4 0.7495 0.5029 0.3105
82 8 0.6305 0.5002 0.3535
83 9 0.6014 0.4868 0.0698
84 10 0.8591 0.5083 0.2548
X-ray density (g/cm cub.) = 3.34
MU (1/cm) = 179.556 Mass attenuation coefficient (cm**2/g) = 53.767
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.148 4
1.6261 10
1.615 16
1.6261 10
1.5936 15
2 Si 2.148 4
1.651 8
1.5794 14
1.6391 16
1.651 8
3 Si 2.148 4
1.6255 9
1.6509 12
1.6653 13
1.6255 9
4 Al 2.364 6
1.976 8
1.8615 10
1.8412 11
1.9014 12
1.9246 13
1.8432 17
5 Al 2.364 6
2.1151 8
1.9591 9
1.8313 11
1.7681 15
2.1151 8
1.9591 9
6 Ca 2.928 9
2.4086 10
2.579 12
2.9093 16
2.9093 16
2.5162 8
2.5583 13
2.5162 8
2.4086 10
2.2607 14
7 Ca 2.928 7
2.4545 10
2.5148 9
2.5148 9
2.4545 10
2.7937 9
2.3014 14
2.7937 9
8 O 3.312 10
2.8887 9
2.5297 11
2.6793 12
2.814 13
2.6591 14
2.9659 15
2.7196 17
2.6049 16
2.7787 8
2.7742 8
9 O 3.312 9
2.8887 8
2.7274 11
2.7055 12
2.6227 15
3.2275 10
2.7655 13
2.9542 17
2.6299 9
2.923 9
10 O 3.312 10
2.6965 11
2.6536 12
2.6945 13
2.5928 16
2.6824 17
3.2275 9
2.8686 10
2.6843 10
2.728 14
2.6341 15
11 O 3.312 10
2.5297 8
2.7274 9
2.6965 10
2.7821 12
2.7821 12
2.5707 13
2.749 17
2.5297 8
2.7274 9
2.6965 10
12 O 3.312 10
2.6793 8
2.7055 9
2.6536 10
2.7821 11
2.7821 11
2.4754 17
2.4885 13
2.6793 8
2.7055 9
2.6536 10
13 O 3.312 10
2.814 8
2.6945 10
2.5707 11
2.781 17
2.781 17
2.7655 9
2.4885 12
2.7655 9
2.814 8
2.6945 10
14 O 3.312 9
2.6591 8
3.0657 15
3.0657 15
2.6516 16
2.6591 8
2.728 10
3.1925 16
3.1925 16
2.728 10
15 O 3.312 9
2.9659 8
2.6227 9
3.0657 14
3.0657 14
2.9659 8
2.6227 9
2.6341 10
2.6822 16
2.6341 10
16 O 3.312 8
2.5928 10
2.6049 8
2.6516 14
2.6049 8
2.5928 10
3.1925 14
3.1925 14
2.6822 15
17 OH 3.36 11
2.7196 8
2.6824 10
2.4754 12
2.781 13
2.781 13
2.9542 9
2.749 11
3.3178 16
2.9542 9
2.7196 8
2.6824 10
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 1 5.178 10.355 0.059 242.6 4 1.8 0.4
2 2 0 0 5.457 10.913 0.062 218.19 2 43.0 99.0
3 2 0 1 7.018 14.035 0.079 131.03 4 2.0 0.2
4 0 0 2 8.824 17.649 0.1 82.05 2 102.7 212.0
5 0 1 1 9.12 18.241 0.103 76.67 4 17.9 12.1
6 1 0 2 9.242 18.484 0.104 74.61 4 24.8 22.4
7 3 0 1 9.32 18.641 0.105 73.32 4 5.3 1.0
8 1 1 1 9.526 19.051 0.107 70.1 8 31.6 68.7
9 2 1 0 9.682 19.364 0.109 67.79 4 4.5 0.7
10 2 0 2 10.398 20.797 0.117 58.48 4 30.9 27.4
11 2 1 1 10.652 21.304 0.12 55.63 8 3.2 0.6
12 4 0 0 10.964 21.928 0.123 52.39 2 91.5 107.5
13 4 0 1 11.834 23.668 0.133 44.67 4 51.0 56.9
14 3 0 2 12.092 24.183 0.136 42.7 4 67.0 93.9
15 1 1 2 12.252 24.505 0.138 41.53 8 13.9 7.9
16 3 1 1 12.312 24.625 0.138 41.11 8 76.4 235.4
17 2 1 2 13.158 26.316 0.148 35.74 8 3.8 0.5
18 1 0 3 13.59 27.18 0.153 33.38 4 0.3 0.0
19 4 1 0 13.615 27.231 0.153 33.25 4 3.0 0.1
20 4 0 2 14.143 28.286 0.159 30.67 4 78.1 91.7
21 4 1 1 14.335 28.669 0.161 29.8 8 33.7 33.2
22 2 0 3 14.417 28.835 0.162 29.44 4 67.8 66.3
23 5 0 1 14.466 28.932 0.162 29.23 4 92.7 123.0
24 3 1 2 14.551 29.102 0.163 28.86 8 16.5 7.7
25 0 1 3 15.586 31.172 0.174 24.91 4 251.2 770.5
26 3 0 3 15.708 31.416 0.176 24.49 4 21.4 5.5
27 1 1 3 15.835 31.669 0.177 24.07 8 76.3 137.4
28 0 2 0 16.107 32.214 0.18 23.2 2 232.1 306.4
29 4 1 2 16.318 32.637 0.182 22.56 8 14.4 4.6
30 5 0 2 16.435 32.871 0.184 22.21 4 154.6 260.1
31 2 1 3 16.56 33.12 0.185 21.85 8 57.9 71.9
32 6 0 0 16.576 33.151 0.185 21.81 2 176.9 167.2
33 5 1 1 16.603 33.205 0.185 21.73 8 154.4 508.0
34 1 2 1 16.962 33.925 0.189 20.74 8 31.6 20.3
35 2 2 0 17.054 34.109 0.19 20.5 4 118.2 140.4
36 6 0 1 17.182 34.365 0.192 20.17 4 32.9 10.7
37 4 0 3 17.37 34.739 0.194 19.7 4 6.5 0.4
38 2 2 1 17.646 35.293 0.197 19.03 8 20.6 7.9
39 3 1 3 17.71 35.42 0.197 18.88 8 93.2 160.9
40 0 0 4 17.867 35.735 0.199 18.52 2 52.3 12.4
41 1 0 4 18.088 36.176 0.202 18.02 4 71.2 44.8
42 5 1 2 18.367 36.735 0.205 17.43 8 25.4 11.1
43 0 2 2 18.483 36.966 0.206 17.19 4 83.7 59.0
44 6 1 0 18.495 36.99 0.206 17.16 4 4.1 0.1
45 1 2 2 18.697 37.395 0.208 16.76 8 108.5 193.4
46 2 0 4 18.736 37.473 0.209 16.68 4 62.5 31.9
47 3 2 1 18.738 37.477 0.209 16.68 8 5.9 0.6
48 6 0 2 18.9 37.799 0.21 16.36 4 37.7 11.4
49 6 1 1 19.048 38.096 0.212 16.08 8 44.2 30.8
50 4 1 3 19.219 38.439 0.214 15.77 8 89.4 123.5
51 5 0 3 19.321 38.642 0.215 15.59 4 30.6 7.2
52 2 2 2 19.328 38.656 0.215 15.57 8 114.8 201.2
53 4 2 0 19.656 39.311 0.218 15.0 4 14.8 1.6
54 3 0 4 19.776 39.553 0.22 14.8 4 27.6 5.5
55 1 1 4 19.88 39.761 0.221 14.63 8 42.9 26.4
56 7 0 1 19.972 39.943 0.222 14.48 4 70.5 35.3
57 4 2 1 20.182 40.363 0.224 14.15 8 83.8 97.3
58 3 2 2 20.343 40.685 0.226 13.9 8 51.2 35.7
59 2 1 4 20.48 40.961 0.227 13.69 8 18.2 4.5
60 6 1 2 20.632 41.264 0.229 13.47 8 22.4 6.6
61 5 1 3 21.024 42.049 0.233 12.91 8 4.4 0.2
62 4 0 4 21.16 42.321 0.234 12.73 4 23.4 3.4
63 1 2 3 21.319 42.639 0.236 12.52 8 66.6 54.4
64 3 1 4 21.45 42.899 0.237 12.35 8 38.3 17.7
65 7 0 2 21.499 42.998 0.238 12.28 4 10.6 0.7
66 6 0 3 21.501 43.002 0.238 12.28 4 109.1 71.6
67 7 1 1 21.632 43.264 0.239 12.11 8 4.2 0.2
68 4 2 2 21.697 43.394 0.24 12.03 8 17.2 3.5
69 2 2 3 21.887 43.774 0.242 11.8 8 127.7 188.7
70 5 2 1 21.921 43.841 0.242 11.76 8 123.0 174.4
71 8 0 0 22.357 44.714 0.247 11.25 2 196.1 106.0
72 1 0 5 22.734 45.468 0.251 10.83 4 1.9 0.0
73 4 1 4 22.75 45.501 0.251 10.81 8 40.5 17.3
74 3 2 3 22.808 45.616 0.252 10.75 8 39.9 16.8
75 8 0 1 22.832 45.664 0.252 10.73 4 90.4 42.9
76 5 0 4 22.839 45.678 0.252 10.72 4 106.1 59.1
77 7 1 2 23.07 46.14 0.254 10.48 8 57.9 34.5
78 6 1 3 23.072 46.144 0.254 10.47 8 11.1 1.3
79 2 0 5 23.274 46.548 0.256 10.27 4 97.9 48.3
80 5 2 2 23.344 46.689 0.257 10.2 8 106.3 113.0
81 6 2 0 23.449 46.899 0.258 10.1 4 16.4 1.3
82 7 0 3 23.868 47.736 0.263 9.7 4 34.4 5.6
83 8 1 0 23.884 47.767 0.263 9.69 4 77.9 28.8
84 6 2 1 23.908 47.815 0.263 9.66 8 15.2 2.2
85 4 2 3 24.051 48.101 0.265 9.53 8 3.7 0.1
86 0 1 5 24.069 48.138 0.265 9.52 4 15.8 1.2
87 3 0 5 24.154 48.307 0.266 9.44 4 39.1 7.1
88 8 0 2 24.214 48.428 0.266 9.39 4 90.5 37.6
89 1 1 5 24.242 48.485 0.267 9.36 8 25.3 5.9
90 8 1 1 24.336 48.671 0.267 9.28 8 25.7 6.0
91 5 1 4 24.342 48.684 0.268 9.28 8 58.1 30.7
92 0 2 4 24.434 48.868 0.269 9.2 4 48.8 10.7
93 1 2 4 24.606 49.211 0.27 9.05 8 145.3 187.3
94 2 1 5 24.757 49.514 0.272 8.93 8 67.8 40.2
95 6 0 4 24.768 49.537 0.272 8.92 4 25.1 2.7
96 0 3 1 25.034 50.069 0.275 8.7 4 20.7 1.8
97 2 2 4 25.115 50.23 0.276 8.64 8 34.0 9.8
98 1 3 1 25.203 50.406 0.276 8.57 8 15.0 1.9
99 6 2 2 25.245 50.489 0.277 8.54 8 25.2 5.3
100 2 3 0 25.27 50.539 0.277 8.52 4 19.4 1.6
101 7 1 3 25.325 50.649 0.278 8.48 8 24.1 4.8
102 4 0 5 25.346 50.692 0.278 8.46 4 27.5 3.1
103 5 2 3 25.581 51.162 0.28 8.29 8 27.6 6.2
104 3 1 5 25.598 51.197 0.28 8.27 8 6.8 0.4
105 8 1 2 25.656 51.312 0.281 8.23 8 10.4 0.9
106 2 3 1 25.703 51.407 0.282 8.2 8 4.1 0.1
107 9 0 1 25.769 51.538 0.282 8.15 4 11.0 0.5
108 3 2 4 25.948 51.895 0.284 8.02 8 52.0 21.2
109 7 2 1 26.106 52.212 0.286 7.91 8 8.6 0.6
110 6 1 4 26.188 52.376 0.286 7.85 8 50.0 19.2
111 8 0 3 26.395 52.791 0.289 7.71 4 2.3 0.0
112 1 3 2 26.492 52.983 0.29 7.65 8 15.6 1.8
113 3 3 1 26.523 53.046 0.29 7.63 8 63.8 30.4
114 4 1 5 26.744 53.487 0.292 7.49 8 76.9 43.4
115 5 0 5 26.822 53.645 0.293 7.44 4 13.1 0.6
116 7 0 4 26.915 53.83 0.294 7.38 4 33.2 4.0
117 2 3 2 26.975 53.95 0.294 7.34 8 1.5 0.0
118 9 0 2 27.039 54.077 0.295 7.3 4 67.3 16.2
119 4 2 4 27.083 54.165 0.296 7.28 8 33.3 7.9
120 9 1 1 27.151 54.302 0.296 7.23 8 94.8 63.7
121 4 3 0 27.229 54.458 0.297 7.19 4 8.4 0.2
122 7 2 2 27.365 54.729 0.298 7.11 8 81.7 46.4
123 6 2 3 27.366 54.733 0.298 7.11 8 30.6 6.5
124 0 0 6 27.401 54.803 0.299 7.08 2 96.1 16.0
125 1 0 6 27.56 55.119 0.3 6.99 4 93.7 30.1
126 4 3 1 27.641 55.283 0.301 6.95 8 28.1 5.4
127 8 1 3 27.756 55.511 0.302 6.88 8 15.4 1.6
128 3 3 2 27.768 55.537 0.302 6.87 8 18.6 2.3
129 2 0 6 28.031 56.061 0.305 6.73 4 38.0 4.8
130 8 2 0 28.086 56.173 0.306 6.7 4 92.5 28.1
131 5 1 5 28.168 56.337 0.306 6.65 8 101.7 67.4
132 7 1 4 28.258 56.517 0.307 6.61 8 16.2 1.7
133 9 1 2 28.378 56.756 0.309 6.54 8 105.8 71.8
134 10 0 0 28.39 56.78 0.309 6.54 2 71.4 8.2
135 0 3 3 28.394 56.788 0.309 6.54 4 178.7 102.3
136 1 2 5 28.407 56.813 0.309 6.53 8 17.9 2.1
137 8 2 1 28.49 56.981 0.31 6.49 8 16.9 1.8
138 5 2 4 28.496 56.992 0.31 6.48 8 180.1 206.1
139 1 3 3 28.549 57.097 0.31 6.46 8 64.5 26.3
140 6 0 5 28.554 57.108 0.31 6.45 4 78.6 19.6
141 10 0 1 28.791 57.582 0.313 6.33 4 6.3 0.1
142 3 0 6 28.804 57.609 0.313 6.33 4 220.4 150.6
143 4 3 2 28.854 57.708 0.313 6.3 8 19.7 2.4
144 2 2 5 28.869 57.737 0.313 6.29 8 7.7 0.4
145 1 1 6 28.883 57.765 0.314 6.29 8 32.0 6.3
146 2 3 3 29.009 58.018 0.315 6.23 8 46.1 13.0
147 5 3 1 29.037 58.073 0.315 6.21 8 122.3 91.1
148 9 0 3 29.069 58.139 0.315 6.2 4 4.2 0.1
149 8 0 4 29.255 58.509 0.317 6.11 4 44.4 5.9
150 2 1 6 29.34 58.68 0.318 6.07 8 29.7 5.2
151 7 2 3 29.38 58.761 0.318 6.05 8 10.8 0.7
152 3 2 5 29.628 59.256 0.321 5.94 8 34.3 6.8
153 8 2 2 29.681 59.361 0.321 5.91 8 55.1 17.6
154 10 1 0 29.689 59.378 0.322 5.91 4 144.8 60.8
155 3 3 3 29.766 59.533 0.322 5.88 8 71.9 29.8
156 6 1 5 29.849 59.697 0.323 5.84 8 70.4 28.4
157 4 0 6 29.866 59.732 0.323 5.83 4 129.5 47.9
158 10 0 2 29.974 59.948 0.324 5.78 4 15.3 0.7
159 10 1 1 30.079 60.158 0.325 5.74 8 105.2 62.2
160 3 1 6 30.092 60.184 0.325 5.73 8 18.6 1.9
161 6 2 4 30.164 60.329 0.326 5.7 8 4.1 0.1
162 5 3 2 30.213 60.427 0.327 5.68 8 34.9 6.8
163 6 3 0 30.301 60.602 0.328 5.65 4 16.2 0.7
164 9 1 3 30.35 60.7 0.328 5.63 8 17.2 1.6
165 7 0 5 30.517 61.035 0.33 5.56 4 19.1 1.0
166 8 1 4 30.531 61.061 0.33 5.55 8 41.6 9.4
167 4 2 5 30.672 61.344 0.331 5.5 8 37.7 7.7
168 6 3 1 30.687 61.373 0.331 5.49 8 40.7 8.9
169 4 3 3 30.808 61.615 0.332 5.44 8 65.3 22.8
170 9 2 1 31.046 62.092 0.335 5.35 8 41.5 9.0
171 4 1 6 31.127 62.253 0.336 5.32 8 17.9 1.7
172 5 0 6 31.198 62.396 0.336 5.29 4 37.9 3.7
173 10 1 2 31.232 62.464 0.337 5.28 8 27.7 4.0
174 1 3 4 31.279 62.558 0.337 5.26 8 20.3 2.1
175 8 2 3 31.603 63.206 0.34 5.14 8 2.2 0.0
176 2 3 4 31.715 63.431 0.341 5.1 8 8.8 0.4
177 7 1 5 31.763 63.526 0.342 5.09 8 62.0 19.2
178 9 0 4 31.773 63.545 0.342 5.08 4 125.3 39.1
179 6 3 2 31.827 63.653 0.342 5.07 8 14.7 1.1
180 10 0 3 31.886 63.771 0.343 5.05 4 105.3 27.4
181 11 0 1 31.912 63.823 0.343 5.04 4 23.1 1.3
182 5 2 5 31.985 63.969 0.344 5.01 8 40.4 8.0
183 7 2 4 32.068 64.136 0.345 4.98 8 163.0 129.8
184 5 3 3 32.117 64.234 0.345 4.97 8 1.3 0.0
185 9 2 2 32.179 64.357 0.346 4.95 8 100.8 49.2
186 5 1 6 32.429 64.857 0.348 4.86 8 33.4 5.3
187 3 3 4 32.435 64.87 0.348 4.86 8 28.6 3.9
188 0 2 6 32.505 65.01 0.349 4.84 4 100.5 24.0
189 7 3 1 32.573 65.145 0.349 4.82 8 15.2 1.1
190 1 0 7 32.617 65.235 0.35 4.8 4 28.6 1.9
191 1 2 6 32.648 65.296 0.35 4.79 8 138.2 89.7
192 8 0 5 32.694 65.389 0.351 4.78 4 38.3 3.4
193 6 0 6 32.784 65.567 0.351 4.75 4 6.1 0.1
194 9 1 4 32.991 65.983 0.353 4.69 8 12.0 0.7
195 11 0 2 33.028 66.056 0.354 4.68 4 77.4 13.7
196 2 0 7 33.044 66.088 0.354 4.67 4 40.1 3.7
197 2 2 6 33.074 66.148 0.354 4.66 8 47.6 10.4
198 10 1 3 33.102 66.205 0.355 4.65 8 25.1 2.9
199 11 1 1 33.128 66.256 0.355 4.65 8 9.1 0.4
200 10 2 0 33.401 66.801 0.357 4.57 4 63.0 8.9
201 4 3 4 33.429 66.857 0.358 4.56 8 34.9 5.5
202 6 2 5 33.55 67.1 0.359 4.52 8 0.7 0.0
203 7 3 2 33.677 67.355 0.36 4.49 8 39.3 6.8
204 6 3 3 33.679 67.358 0.36 4.49 8 8.4 0.3
205 0 1 7 33.68 67.36 0.36 4.49 4 65.5 9.4
206 0 4 0 33.702 67.403 0.36 4.48 2 445.9 218.3
207 3 0 7 33.749 67.497 0.361 4.47 4 45.3 4.5
208 10 2 1 33.766 67.533 0.361 4.46 8 12.0 0.6
209 3 2 6 33.779 67.557 0.361 4.46 8 68.5 20.5
210 1 1 7 33.82 67.64 0.361 4.45 8 17.3 1.3
211 8 1 5 33.896 67.792 0.362 4.43 8 45.7 9.1
212 6 1 6 33.984 67.967 0.363 4.4 8 1.4 0.0
213 9 2 3 34.021 68.042 0.363 4.39 8 43.0 8.0
214 8 2 4 34.191 68.382 0.365 4.35 8 46.6 9.3
215 1 4 1 34.205 68.41 0.365 4.34 8 1.9 0.0
216 11 1 2 34.224 68.447 0.365 4.34 8 43.3 8.0
217 2 1 7 34.239 68.478 0.365 4.34 8 50.8 11.0
218 2 4 0 34.261 68.521 0.365 4.33 4 21.8 1.0
219 8 3 0 34.319 68.638 0.366 4.31 4 58.0 7.1
220 10 0 4 34.463 68.925 0.367 4.28 4 36.7 2.8
221 0 3 5 34.466 68.933 0.367 4.28 4 11.2 0.3
222 1 3 5 34.605 69.21 0.369 4.24 8 24.6 2.5
223 7 0 6 34.608 69.216 0.369 4.24 4 5.2 0.1
224 2 4 1 34.622 69.244 0.369 4.24 8 1.0 0.0
225 8 3 1 34.68 69.36 0.369 4.22 8 16.7 1.2
226 5 3 4 34.685 69.37 0.369 4.22 8 56.5 13.2
227 4 0 7 34.723 69.447 0.37 4.21 4 12.9 0.3
228 4 2 6 34.753 69.506 0.37 4.2 8 6.4 0.2
229 12 0 0 34.79 69.579 0.37 4.2 2 68.1 4.8
230 11 0 3 34.848 69.696 0.371 4.18 4 49.4 5.0
231 10 2 2 34.853 69.705 0.371 4.18 8 183.3 137.7
232 3 1 7 34.932 69.864 0.372 4.16 8 19.4 1.5
233 2 3 5 35.019 70.039 0.372 4.14 8 57.2 13.3
234 9 0 5 35.074 70.148 0.373 4.13 4 74.4 11.2
235 0 4 2 35.147 70.295 0.374 4.11 4 57.1 6.6
236 12 0 1 35.148 70.297 0.374 4.11 4 34.3 2.4
237 1 4 2 35.285 70.57 0.375 4.08 8 15.0 0.9
238 3 4 1 35.311 70.623 0.375 4.07 8 6.1 0.2
239 7 2 5 35.355 70.711 0.376 4.06 8 5.7 0.1
240 7 3 3 35.481 70.963 0.377 4.03 8 23.2 2.1
241 10 1 4 35.635 71.27 0.378 4.0 8 19.5 1.5
242 2 4 2 35.696 71.392 0.379 3.99 8 19.8 1.5
243 3 3 5 35.706 71.411 0.379 3.98 8 1.8 0.0
244 8 3 2 35.753 71.506 0.379 3.97 8 3.6 0.0
245 7 1 6 35.779 71.557 0.38 3.97 8 45.8 8.1
246 4 1 7 35.892 71.784 0.381 3.94 8 3.9 0.1
247 4 4 0 35.913 71.826 0.381 3.94 4 52.9 5.4
248 12 1 0 35.957 71.915 0.381 3.93 4 1.2 0.0
249 5 0 7 35.959 71.917 0.381 3.93 4 45.6 4.0
250 5 2 6 35.988 71.976 0.381 3.92 8 73.0 20.5
251 11 1 3 36.015 72.03 0.382 3.92 8 1.4 0.0
252 6 3 4 36.193 72.386 0.383 3.88 8 44.8 7.6
253 12 0 2 36.216 72.431 0.384 3.87 4 44.0 3.7
254 9 1 5 36.238 72.476 0.384 3.87 8 11.8 0.5
255 4 4 1 36.267 72.534 0.384 3.86 8 31.0 3.6
256 12 1 1 36.311 72.623 0.384 3.85 8 30.0 3.4
257 3 4 2 36.377 72.753 0.385 3.84 8 39.0 5.7
258 9 2 4 36.524 73.049 0.386 3.81 8 1.7 0.0
259 10 2 3 36.63 73.261 0.387 3.79 8 146.6 79.9
260 11 2 1 36.655 73.31 0.388 3.79 8 83.5 25.9
261 4 3 5 36.657 73.314 0.388 3.79 8 63.2 14.8
262 8 0 6 36.66 73.32 0.388 3.78 4 47.2 4.1
263 9 3 1 37.0 74.0 0.391 3.72 8 82.1 24.6
264 1 4 3 37.054 74.108 0.391 3.71 8 4.2 0.1
265 5 1 7 37.111 74.222 0.392 3.7 8 63.1 14.4
266 1 2 7 37.318 74.635 0.394 3.66 8 56.1 11.3
267 4 4 2 37.321 74.643 0.394 3.66 8 50.1 9.0
268 11 0 4 37.327 74.655 0.394 3.66 4 81.5 11.9
269 12 1 2 37.365 74.73 0.394 3.65 8 20.4 1.5
270 8 2 5 37.39 74.78 0.394 3.65 8 121.8 53.1
271 6 0 7 37.446 74.891 0.395 3.64 4 17.2 0.5
272 2 4 3 37.457 74.915 0.395 3.64 8 34.5 4.2
273 6 2 6 37.474 74.949 0.395 3.63 8 52.3 9.7
274 5 4 1 37.481 74.963 0.395 3.63 8 59.2 12.5
275 8 3 3 37.513 75.027 0.395 3.63 8 1.6 0.0
276 10 0 5 37.652 75.304 0.397 3.6 4 74.4 9.8
277 11 2 2 37.705 75.41 0.397 3.59 8 12.8 0.6
278 2 2 7 37.72 75.44 0.397 3.59 8 23.2 1.9
279 8 1 6 37.805 75.609 0.398 3.58 8 27.5 2.7
280 0 0 8 37.852 75.705 0.398 3.57 2 155.2 21.1
281 5 3 5 37.867 75.734 0.398 3.57 8 82.5 23.8
282 7 3 4 37.944 75.888 0.399 3.55 8 16.5 0.9
283 12 0 3 37.968 75.936 0.399 3.55 4 49.8 4.3
284 1 0 8 37.986 75.972 0.4 3.55 4 20.2 0.7
285 9 3 2 38.047 76.094 0.4 3.54 8 94.3 30.9
286 3 4 3 38.126 76.252 0.401 3.52 8 11.9 0.5
287 2 0 8 38.386 76.772 0.403 3.48 4 115.7 22.8
288 3 2 7 38.387 76.774 0.403 3.48 8 20.5 1.4
289 11 1 4 38.465 76.929 0.404 3.47 8 45.0 6.9
290 1 3 6 38.484 76.967 0.404 3.47 8 27.2 2.5
291 5 4 2 38.524 77.048 0.404 3.46 8 114.8 44.7
292 13 0 1 38.525 77.049 0.404 3.46 4 13.6 0.3
293 6 1 7 38.582 77.164 0.405 3.45 8 73.8 18.4
294 6 4 0 38.602 77.204 0.405 3.45 4 119.0 23.9
295 10 1 5 38.786 77.573 0.407 3.42 8 48.5 7.9
296 2 3 6 38.882 77.764 0.407 3.41 8 15.2 0.8
297 9 0 6 38.934 77.868 0.408 3.4 4 62.1 6.4
298 6 4 1 38.947 77.895 0.408 3.4 8 23.5 1.8
299 3 0 8 39.049 78.099 0.409 3.38 4 22.9 0.9
300 4 4 3 39.056 78.112 0.409 3.38 8 1.9 0.0
301 10 2 4 39.066 78.133 0.409 3.38 8 75.0 18.6
302 12 1 3 39.099 78.198 0.409 3.38 8 10.0 0.3
303 1 1 8 39.117 78.234 0.41 3.37 8 10.0 0.3
304 7 0 7 39.177 78.353 0.41 3.36 4 30.9 1.6
305 10 3 0 39.188 78.376 0.41 3.36 4 128.3 27.1
306 7 2 6 39.205 78.41 0.41 3.36 8 48.7 7.8
307 4 2 7 39.315 78.63 0.411 3.34 8 7.0 0.2
308 6 3 5 39.328 78.656 0.411 3.34 8 70.9 16.5
309 0 4 4 39.349 78.698 0.412 3.34 4 35.2 2.0
310 12 2 0 39.378 78.757 0.412 3.34 4 6.6 0.1
311 11 2 3 39.434 78.868 0.412 3.33 8 77.4 19.5
312 1 4 4 39.481 78.962 0.413 3.32 8 55.1 9.9
313 2 1 8 39.513 79.027 0.413 3.32 8 17.2 1.0
314 10 3 1 39.532 79.063 0.413 3.32 8 101.6 33.6
315 3 3 6 39.543 79.086 0.413 3.31 8 15.5 0.8
316 13 0 2 39.558 79.117 0.413 3.31 4 23.0 0.9
317 9 2 5 39.65 79.301 0.414 3.3 8 93.7 28.4
318 13 1 1 39.651 79.302 0.414 3.3 8 18.4 1.1
319 12 2 1 39.722 79.443 0.415 3.29 8 12.8 0.5
320 9 3 3 39.771 79.543 0.415 3.28 8 10.1 0.3
321 2 4 4 39.877 79.753 0.416 3.27 8 41.2 5.4
322 8 3 4 39.932 79.863 0.417 3.26 8 30.7 3.0
323 4 0 8 39.973 79.946 0.417 3.26 4 28.0 1.3
324 6 4 2 39.978 79.956 0.417 3.26 8 48.8 7.6
325 9 1 6 40.057 80.115 0.418 3.25 8 30.8 3.0
326 3 1 8 40.172 80.343 0.419 3.23 8 12.5 0.5
327 5 4 3 40.242 80.485 0.419 3.22 8 15.1 0.7
328 7 1 7 40.298 80.596 0.42 3.22 8 60.0 11.4
329 12 0 4 40.378 80.756 0.421 3.21 4 33.4 1.8
330 11 0 5 40.433 80.867 0.421 3.2 4 15.4 0.4
331 4 3 6 40.464 80.927 0.421 3.2 8 12.8 0.5
332 5 2 7 40.5 80.999 0.422 3.19 8 118.0 43.6
333 3 4 4 40.533 81.067 0.422 3.19 8 13.0 0.5
334 10 3 2 40.558 81.116 0.422 3.19 8 21.2 1.4
335 7 4 1 40.66 81.319 0.423 3.18 8 35.4 3.9
336 13 1 2 40.677 81.354 0.423 3.17 8 15.8 0.8
337 12 2 2 40.747 81.494 0.424 3.17 8 1.9 0.0
338 7 3 5 41.036 82.073 0.426 3.13 8 53.7 8.9
339 4 1 8 41.089 82.178 0.427 3.13 8 3.8 0.0
340 8 0 7 41.148 82.296 0.427 3.12 4 34.8 1.9
341 5 0 8 41.153 82.306 0.427 3.12 4 50.7 3.9
342 8 2 6 41.176 82.352 0.427 3.12 8 11.0 0.4
343 13 0 3 41.266 82.532 0.428 3.11 4 38.9 2.3
344 10 0 6 41.431 82.863 0.43 3.09 4 11.9 0.2
345 4 4 4 41.449 82.898 0.43 3.09 8 16.4 0.8
346 12 1 4 41.492 82.983 0.43 3.09 8 11.2 0.4
347 11 1 5 41.547 83.093 0.431 3.08 8 41.0 5.1
348 5 3 6 41.641 83.281 0.431 3.07 8 24.1 1.7
349 7 4 2 41.68 83.36 0.432 3.07 8 3.5 0.0
350 6 4 3 41.682 83.363 0.432 3.07 8 58.7 10.4
351 14 0 0 41.733 83.466 0.432 3.06 2 6.0 0.0
352 11 2 4 41.822 83.644 0.433 3.05 8 7.7 0.2
353 6 2 7 41.937 83.874 0.434 3.04 8 60.0 10.7
354 14 0 1 42.072 84.144 0.435 3.03 4 20.0 0.6
355 10 2 5 42.138 84.275 0.436 3.03 8 5.1 0.1
356 9 3 4 42.155 84.311 0.436 3.02 8 18.6 1.0
357 10 3 3 42.257 84.515 0.437 3.02 8 23.5 1.6
358 8 1 7 42.258 84.516 0.437 3.02 8 54.3 8.7
359 5 1 8 42.263 84.526 0.437 3.01 8 11.2 0.4
360 8 4 0 42.278 84.556 0.437 3.01 4 120.4 21.4
361 11 3 1 42.281 84.561 0.437 3.01 8 3.3 0.0
362 0 2 8 42.332 84.665 0.437 3.01 4 61.8 5.6
363 13 1 3 42.375 84.751 0.437 3.0 8 8.6 0.2
364 12 2 3 42.445 84.89 0.438 3.0 8 49.8 7.3
365 1 2 8 42.462 84.925 0.438 3.0 8 0.7 0.0
366 10 1 6 42.54 85.08 0.439 2.99 8 63.1 11.7
367 1 4 5 42.546 85.092 0.439 2.99 8 0.7 0.0
368 6 0 8 42.586 85.173 0.439 2.99 4 60.6 5.4
369 8 4 1 42.616 85.233 0.44 2.98 8 54.0 8.5
370 5 4 4 42.621 85.242 0.44 2.98 8 65.6 12.6
371 0 3 7 42.79 85.58 0.441 2.97 4 59.1 5.1
372 14 1 0 42.84 85.681 0.441 2.97 4 145.3 30.7
373 2 2 8 42.852 85.705 0.441 2.97 8 26.3 2.0
374 1 3 7 42.92 85.84 0.442 2.96 8 9.3 0.3
375 2 4 5 42.936 85.872 0.442 2.96 8 60.3 10.5
376 13 2 1 42.988 85.976 0.443 2.95 8 4.8 0.1
377 8 3 5 42.99 85.981 0.443 2.95 8 40.1 4.7
378 6 3 6 43.072 86.143 0.443 2.95 8 6.3 0.1
379 14 0 2 43.087 86.174 0.443 2.95 4 27.9 1.1
380 14 1 1 43.178 86.356 0.444 2.94 8 19.9 1.1
381 11 3 2 43.295 86.59 0.445 2.93 8 41.5 4.9
382 2 3 7 43.309 86.619 0.445 2.93 8 48.0 6.6
383 9 0 7 43.361 86.722 0.446 2.93 4 61.1 5.4
384 7 4 3 43.372 86.744 0.446 2.93 8 15.8 0.7
385 9 2 6 43.389 86.777 0.446 2.93 8 12.5 0.4
386 12 0 5 43.431 86.862 0.446 2.92 4 71.8 7.4
387 3 2 8 43.501 87.003 0.447 2.92 8 23.0 1.5
388 3 4 5 43.585 87.17 0.448 2.91 8 27.3 2.1
389 7 2 7 43.626 87.252 0.448 2.91 8 6.9 0.1
390 8 4 2 43.63 87.26 0.448 2.91 8 60.9 10.6
391 13 0 4 43.636 87.271 0.448 2.91 4 13.5 0.3
392 6 1 8 43.691 87.383 0.448 2.9 8 77.3 17.0
393 1 0 9 43.786 87.572 0.449 2.9 4 26.6 1.0
394 3 3 7 43.958 87.916 0.451 2.89 8 22.8 1.5
395 13 2 2 44.001 88.002 0.451 2.88 8 20.4 1.2
396 6 4 4 44.049 88.097 0.451 2.88 8 15.5 0.7
397 11 0 6 44.161 88.321 0.452 2.87 4 36.9 1.9
398 2 0 9 44.175 88.35 0.452 2.87 4 45.0 2.9
399 14 1 2 44.191 88.381 0.452 2.87 8 29.2 2.4
400 0 5 1 44.252 88.503 0.453 2.87 4 4.7 0.0
401 7 0 8 44.273 88.546 0.453 2.87 4 50.9 3.6
402 1 5 1 44.381 88.763 0.454 2.86 8 23.2 1.5
403 4 2 8 44.409 88.817 0.454 2.86 8 102.6 29.5
404 2 5 0 44.433 88.866 0.454 2.86 4 12.2 0.2
405 9 1 7 44.464 88.928 0.455 2.86 8 87.0 21.2
406 4 4 5 44.492 88.984 0.455 2.86 8 11.1 0.3
407 12 1 5 44.534 89.068 0.455 2.85 8 24.6 1.7
408 10 3 4 44.621 89.242 0.456 2.85 8 14.8 0.6
409 13 1 4 44.739 89.477 0.457 2.84 8 1.6 0.0
410 7 3 6 44.757 89.514 0.457 2.84 8 38.2 4.1
411 0 1 9 44.759 89.519 0.457 2.84 4 7.8 0.1
412 2 5 1 44.77 89.54 0.457 2.84 8 7.6 0.2
413 14 0 3 44.774 89.547 0.457 2.84 4 87.0 10.5
414 12 2 4 44.808 89.616 0.457 2.84 8 9.8 0.3
415 9 4 1 44.821 89.642 0.458 2.84 8 18.1 0.9
416 3 0 9 44.823 89.645 0.458 2.84 4 34.1 1.6
417 11 2 5 44.863 89.725 0.458 2.84 8 40.3 4.5
418 4 3 7 44.865 89.73 0.458 2.84 8 3.9 0.0
419 1 1 9 44.889 89.778 0.458 2.83 8 95.3 25.2
420 12 3 0 44.927 89.854 0.458 2.83 4 3.3 0.0
421 11 3 3 44.982 89.963 0.459 2.83 8 3.9 0.0
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 2 0 0 5.457 10.913 8.1002 99.0 12.9 13.0 5.6
2 0 0 2 8.824 17.649 5.02115 212.0 27.5 27.8 5.6
3 0 1 1 9.12 18.241 4.85947 12.1 1.6 1.6 5.6
4 1 0 2 9.242 18.484 4.79607 22.4 2.9 2.9 5.6
5 1 1 1 9.526 19.051 4.65458 68.7 8.9 9.0 5.6
6 2 0 2 10.398 20.797 4.26772 27.4 3.6 3.6 5.6
7 4 0 0 10.964 21.928 4.0501 107.5 14.0 14.1 5.6
8 4 0 1 11.834 23.668 3.75613 56.9 7.4 7.4 5.6
9 3 0 2 12.092 24.183 3.67718 93.9 12.2 12.3 5.6
10 1 1 2 12.252 24.505 3.62965 7.9 1.0 1.0 5.6
11 3 1 1 12.312 24.625 3.61223 235.4 30.6 30.7 5.6
12 4 0 2 14.143 28.286 3.15241 91.7 11.9 11.9 5.6
13 4 1 1 14.335 28.669 3.1112 33.2 4.3 4.3 5.6
14 2 0 3 14.417 28.835 3.09367 66.3 8.6 8.6 5.6
15 5 0 1 14.466 28.932 3.08356 123.0 16.0 16.0 5.6
16 3 1 2 14.551 29.102 3.06589 7.7 1.0 1.0 5.6
17 0 1 3 15.586 31.172 2.86682 770.5 100.0 100.0 5.6
18 1 1 3 15.835 31.669 2.82296 137.4 17.8 17.8 5.6
19 0 2 0 16.107 32.214 2.77645 306.4 39.8 39.7 5.6
20 5 0 2 16.435 32.871 2.72247 260.1 33.8 33.7 5.6
21 5 1 1 16.603 33.205 2.6958 747.1 97.0 96.8 5.6
22 1 2 1 16.962 33.925 2.64028 20.3 2.6 2.6 5.7
23 2 2 0 17.054 34.109 2.62645 140.4 18.2 18.2 5.7
24 6 0 1 17.182 34.365 2.60746 10.7 1.4 1.4 5.7
25 2 2 1 17.646 35.293 2.54098 7.9 1.0 1.0 5.7
26 3 1 3 17.71 35.42 2.53212 160.9 20.9 20.8 5.7
27 0 0 4 17.867 35.735 2.51058 12.4 1.6 1.6 5.7
28 1 0 4 18.088 36.176 2.48096 44.8 5.8 5.8 5.7
29 5 1 2 18.367 36.735 2.44448 11.1 1.4 1.4 5.7
30 0 2 2 18.483 36.966 2.42974 59.1 7.7 7.6 5.7
31 1 2 2 18.697 37.395 2.40286 193.4 25.1 25.0 5.7
32 2 0 4 18.736 37.473 2.39803 32.5 4.2 4.2 5.7
33 6 0 2 18.9 37.799 2.37805 11.4 1.5 1.5 5.7
34 6 1 1 19.048 38.096 2.36021 30.8 4.0 4.0 5.7
35 4 1 3 19.219 38.439 2.33994 123.5 16.0 15.9 5.7
36 2 2 2 19.328 38.656 2.32729 208.4 27.0 26.9 5.7
37 1 1 4 19.88 39.761 2.26516 26.4 3.4 3.4 5.7
38 7 0 1 19.972 39.943 2.25523 35.3 4.6 4.5 5.7
39 4 2 1 20.182 40.363 2.2327 97.3 12.6 12.5 5.7
40 3 2 2 20.343 40.685 2.21578 35.7 4.6 4.6 5.7
41 1 2 3 21.319 42.639 2.11867 54.4 7.1 7.0 5.7
42 3 1 4 21.45 42.899 2.10642 17.7 2.3 2.3 5.7
43 6 0 3 21.501 43.002 2.10161 71.6 9.3 9.2 5.7
44 2 2 3 21.887 43.774 2.06633 188.7 24.5 24.2 5.7
45 5 2 1 21.921 43.841 2.0633 174.4 22.6 22.4 5.7
46 8 0 0 22.357 44.714 2.02505 106.0 13.8 13.6 5.7
47 4 1 4 22.75 45.501 1.99185 17.3 2.3 2.2 5.7
48 8 0 1 22.832 45.664 1.98509 118.8 15.4 15.2 5.7
49 7 1 2 23.07 46.14 1.96572 35.7 4.6 4.6 5.7
50 2 0 5 23.274 46.548 1.94943 48.3 6.3 6.2 5.7
51 5 2 2 23.344 46.689 1.94388 113.0 14.7 14.4 5.7
52 8 1 0 23.884 47.767 1.90249 36.6 4.8 4.7 5.7
53 8 0 2 24.214 48.428 1.87806 43.5 5.6 5.6 5.7
54 5 1 4 24.342 48.684 1.86878 36.7 4.8 4.7 5.7
55 0 2 4 24.434 48.868 1.86217 10.7 1.4 1.4 5.7
56 1 2 4 24.606 49.211 1.84998 187.3 24.3 23.9 5.7
57 2 1 5 24.757 49.514 1.83937 43.0 5.6 5.5 5.7
58 2 2 4 25.115 50.23 1.81483 9.8 1.3 1.2 5.8
59 7 1 3 25.325 50.649 1.80078 8.0 1.0 1.0 5.8
60 3 2 4 25.948 51.895 1.76044 21.2 2.8 2.7 5.8
61 6 1 4 26.188 52.376 1.7454 19.2 2.5 2.4 5.8
62 3 3 1 26.523 53.046 1.72494 30.4 3.9 3.9 5.8
63 4 1 5 26.744 53.487 1.71174 43.4 5.6 5.5 5.8
64 9 0 2 27.039 54.077 1.69445 16.2 2.1 2.1 5.8
65 4 2 4 27.083 54.165 1.6919 7.9 1.0 1.0 5.8
66 9 1 1 27.151 54.302 1.68796 63.7 8.3 8.1 5.8
67 7 2 2 27.365 54.729 1.6758 53.0 6.9 6.7 5.8
68 0 0 6 27.401 54.803 1.67372 16.0 2.1 2.0 5.8
69 1 0 6 27.56 55.119 1.66486 30.1 3.9 3.8 5.8
70 8 2 0 28.086 56.173 1.6361 28.1 3.6 3.5 5.8
71 5 1 5 28.168 56.337 1.63172 67.4 8.7 8.5 5.8
72 0 3 3 28.394 56.788 1.61982 184.3 23.9 23.3 5.8
73 5 2 4 28.496 56.992 1.61451 207.9 27.0 26.2 5.8
74 1 3 3 28.549 57.097 1.61179 45.9 6.0 5.8 5.8
75 3 0 6 28.804 57.609 1.59869 150.6 19.5 19.0 5.8
76 1 1 6 28.883 57.765 1.59472 9.0 1.2 1.1 5.8
77 5 3 1 29.037 58.073 1.587 104.1 13.5 13.1 5.8
78 10 1 0 29.689 59.378 1.5552 78.3 10.2 9.8 5.8
79 3 3 3 29.766 59.533 1.55153 29.8 3.9 3.7 5.8
80 4 0 6 29.866 59.732 1.54684 76.3 9.9 9.6 5.8
81 10 1 1 30.079 60.158 1.53688 64.2 8.3 8.1 5.8
82 8 1 4 30.531 61.061 1.5163 9.4 1.2 1.2 5.8
83 6 3 1 30.687 61.373 1.50934 16.6 2.2 2.1 5.8
84 4 3 3 30.808 61.615 1.504 22.8 3.0 2.9 5.8
85 9 2 1 31.046 62.092 1.49359 9.0 1.2 1.1 5.8
86 9 0 4 31.773 63.545 1.46289 58.3 7.6 7.3 5.9
87 10 0 3 31.886 63.771 1.45824 28.8 3.7 3.6 5.9
88 5 2 5 31.985 63.969 1.45421 8.0 1.0 1.0 5.9
89 7 2 4 32.068 64.136 1.45083 129.8 16.8 16.2 5.9
90 9 2 2 32.179 64.357 1.44637 49.2 6.4 6.1 5.9
91 5 1 6 32.429 64.857 1.43642 9.2 1.2 1.1 5.9
92 0 2 6 32.505 65.01 1.43341 24.0 3.1 3.0 5.9
93 1 2 6 32.648 65.296 1.42783 89.7 11.6 11.2 5.9
94 11 0 2 33.028 66.056 1.41323 17.4 2.3 2.2 5.9
95 2 2 6 33.074 66.148 1.41148 13.2 1.7 1.6 5.9
96 10 2 0 33.401 66.801 1.39926 14.3 1.9 1.8 5.9
97 0 4 0 33.702 67.403 1.38822 234.8 30.5 29.2 5.9
98 3 2 6 33.779 67.557 1.38543 20.5 2.7 2.5 5.9
99 8 1 5 33.896 67.792 1.38121 9.1 1.2 1.1 5.9
100 9 2 3 34.021 68.042 1.37673 8.0 1.0 1.0 5.9
101 8 2 4 34.191 68.382 1.37072 9.3 1.2 1.2 5.9
102 2 1 7 34.239 68.478 1.36903 19.9 2.6 2.5 5.9
103 5 3 4 34.685 69.37 1.35359 14.4 1.9 1.8 5.9
104 10 2 2 34.853 69.705 1.3479 142.7 18.5 17.6 5.9
105 2 3 5 35.019 70.039 1.34229 13.3 1.7 1.6 5.9
106 9 0 5 35.074 70.148 1.34047 11.2 1.5 1.4 5.9
107 0 4 2 35.147 70.295 1.33803 8.9 1.2 1.1 5.9
108 7 1 6 35.779 71.557 1.3175 8.1 1.1 1.0 5.9
109 5 2 6 35.988 71.976 1.31086 24.5 3.2 3.0 5.9
110 6 3 4 36.193 72.386 1.30443 11.3 1.5 1.4 5.9
111 10 2 3 36.63 73.261 1.29101 124.7 16.2 15.3 6.0
112 9 3 1 37.0 74.0 1.27993 24.6 3.2 3.0 6.0
113 5 1 7 37.111 74.222 1.27664 14.4 1.9 1.8 6.0
114 11 0 4 37.327 74.655 1.27032 32.2 4.2 3.9 6.0
115 8 2 5 37.39 74.78 1.26849 54.5 7.1 6.7 6.0
116 5 4 1 37.481 74.963 1.26586 26.4 3.4 3.2 6.0
117 10 0 5 37.652 75.304 1.26096 9.8 1.3 1.2 6.0
118 5 3 5 37.867 75.734 1.25488 44.8 5.8 5.5 6.0
119 9 3 2 38.047 76.094 1.24983 30.9 4.0 3.8 6.0
120 2 0 8 38.386 76.772 1.24048 24.3 3.2 3.0 6.0
121 11 1 4 38.465 76.929 1.23833 9.4 1.2 1.1 6.0
122 5 4 2 38.524 77.048 1.23672 45.1 5.8 5.5 6.0
123 6 4 0 38.602 77.204 1.2346 42.4 5.5 5.2 6.0
124 10 1 5 38.786 77.573 1.22966 7.9 1.0 1.0 6.0
125 9 0 6 38.934 77.868 1.22573 8.3 1.1 1.0 6.0
126 10 2 4 39.066 78.133 1.22224 18.6 2.4 2.3 6.0
127 7 2 6 39.205 78.41 1.21861 36.5 4.7 4.4 6.0
128 6 3 5 39.328 78.656 1.21541 18.5 2.4 2.2 6.0
129 11 2 3 39.434 78.868 1.21268 19.5 2.5 2.4 6.0
130 1 4 4 39.481 78.962 1.21147 9.9 1.3 1.2 6.0
131 10 3 1 39.532 79.063 1.21018 35.2 4.6 4.3 6.0
132 9 2 5 39.65 79.301 1.20714 29.5 3.8 3.6 6.0
133 6 4 2 39.978 79.956 1.19889 8.9 1.1 1.1 6.0
134 7 1 7 40.298 80.596 1.19097 11.4 1.5 1.4 6.1
135 5 2 7 40.5 80.999 1.18606 43.6 5.7 5.3 6.1
136 7 3 5 41.036 82.073 1.17325 8.9 1.2 1.1 6.1
137 6 4 3 41.682 83.363 1.15833 10.4 1.3 1.2 6.1
138 6 2 7 41.937 83.874 1.15257 10.7 1.4 1.3 6.1
139 8 4 0 42.278 84.556 1.14501 32.2 4.2 3.9 6.1
140 10 1 6 42.54 85.08 1.13929 11.7 1.5 1.4 6.1
141 8 4 1 42.616 85.233 1.13764 26.5 3.4 3.2 6.1
142 14 1 0 42.84 85.681 1.13284 32.7 4.2 3.9 6.1
143 2 4 5 42.936 85.872 1.1308 10.5 1.4 1.3 6.1
144 2 3 7 43.309 86.619 1.12296 11.6 1.5 1.4 6.1
145 8 4 2 43.63 87.26 1.11635 10.8 1.4 1.3 6.2
146 6 1 8 43.691 87.383 1.1151 17.0 2.2 2.0 6.2
147 4 2 8 44.409 88.817 1.10076 31.0 4.0 3.7 6.2
148 9 1 7 44.464 88.928 1.09967 21.6 2.8 2.6 6.2
149 14 0 3 44.774 89.547 1.09367 14.8 1.9 1.8 6.2
150 1 1 9 44.889 89.778 1.09146 29.8 3.9 3.5 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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