Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
CLINOZOISITE
3, t-epidote, at 19.4 kbar, f-epidote, s-epidote
Ca(2)Al(2)[Al(0.79)Fe(0.22)]Si(3)O(12)OH
Monoclinic P 2(1)/m Z = 2
R =0.039 NR =1110
23 .6 .1998
Ref.Str.:
Comodi P., Zanazzi P.F. (1997)
* Amer. Mineral., 82, 61-68
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.84 alpha = 90.0
b = 5.566 beta = 115.5
c = 10.07 gamma = 90.0
Unit cell volume (cub. angs.) = 447.21
Molar volume ( cub.cm/mol.) = 134.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7611 0.75 0.1554 0.0 Ca = 1.00
2 0.6069 0.75 0.4255 0.0 Ca = 1.00
3 0.3398 0.75 0.0482 0.0 Si = 1.00
4 0.6797 0.25 0.2755 0.0 Si = 1.00
5 0.1821 0.75 0.3164 0.0 Si = 1.00
6 0.0 0.0 0.0 0.0 Al = 1.00
7 0.0 0.0 0.5 0.0 Al = 1.00
8 0.2904 0.25 0.2243 0.0 Fe = 1.00
9 0.2353 0.9977 0.045 0.0 O = 1.00
10 0.304 0.9863 0.355 0.0 O = 1.00
11 0.79 0.0128 0.347 0.0 O = 1.00
12 0.052 0.25 0.13 0.0 O = 1.00
13 0.039 0.75 0.142 0.0 O = 1.00
14 0.063 0.75 0.404 0.0 O = 1.00
15 0.519 0.75 0.181 0.0 O = 1.00
16 0.513 0.25 0.3 0.0 O = 1.00
17 0.634 0.25 0.1 0.0 O = 1.00
18 0.078 0.25 0.425 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7611 0.75 0.1554
2 2 0.6069 0.75 0.4255
3 3 0.3398 0.75 0.0482
4 4 0.6797 0.25 0.2755
5 5 0.1821 0.75 0.3164
6 6 0.0 0.0 0.0
7 7 0.0 0.0 0.5
8 8 0.2904 0.25 0.2243
9 9 0.2353 0.9977 0.045
10 10 0.304 0.9863 0.355
11 11 0.79 0.0128 0.347
12 12 0.052 0.25 0.13
13 13 0.039 0.75 0.142
14 14 0.063 0.75 0.404
15 15 0.519 0.75 0.181
16 16 0.513 0.25 0.3
17 17 0.634 0.25 0.1
18 18 0.078 0.25 0.425
19 1 0.2389 0.25 0.8446
20 2 0.3931 0.25 0.5745
21 3 0.6602 0.25 0.9518
22 4 0.3203 0.75 0.7245
23 5 0.8179 0.25 0.6836
24 6 0.0 0.5 0.0
25 7 0.0 0.5 0.5
26 8 0.7096 0.75 0.7757
27 9 0.7647 0.4977 0.955
28 10 0.696 0.4863 0.645
29 11 0.21 0.5128 0.653
30 12 0.948 0.75 0.87
31 13 0.961 0.25 0.858
32 14 0.937 0.25 0.596
33 15 0.481 0.25 0.819
34 16 0.487 0.75 0.7
35 17 0.366 0.75 0.9
36 18 0.922 0.75 0.575
37 9 0.2353 0.5023 0.045
38 10 0.304 0.5137 0.355
39 11 0.79 0.4872 0.347
40 9 0.7647 0.0023 0.955
41 10 0.696 0.0137 0.645
42 11 0.21 0.9872 0.653
X-ray density (g/cm cub.) = 3.58
MU (1/cm) = 299.232 Mass attenuation coefficient (cm**2/g) = 83.588
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.3459 11
2.5177 13
2.7635 14
2.2631 15
2.47 9
2.3459 11
2.47 9
2 Ca 2.88 8
2.7869 10
2.5468 11
2.2402 15
2.4822 10
2.5327 18
2.7869 10
2.5468 11
2.4822 10
3 Si 2.1 4
1.6521 9
1.5728 15
1.6057 17
1.6521 9
4 Si 2.1 4
1.6148 11
1.5955 16
1.6346 17
1.6148 11
5 Si 2.1 4
1.6375 10
1.6648 13
1.639 14
1.6375 10
6 Al 2.316 6
1.9289 9
1.8284 12
1.9171 13
1.8284 12
1.9171 13
1.9289 9
7 Al 2.316 6
1.8337 11
1.9091 14
1.8522 18
1.9091 14
1.8522 18
1.8337 11
8 Fe 2.592 6
2.1707 9
1.9403 10
1.9026 12
1.7781 16
2.1707 9
1.9403 10
9 O 3.264 10
2.913 10
2.5543 12
2.7066 13
2.6662 15
3.0273 16
2.7573 12
2.7324 13
2.6116 17
2.8086 9
2.7574 9
10 O 3.264 8
2.913 9
2.8115 12
2.7371 13
2.7235 14
2.5992 16
2.8027 18
2.9355 10
2.6305 10
11 O 3.264 9
2.6647 14
2.6879 15
2.6392 16
2.6226 17
2.6683 18
2.6293 14
2.5428 18
2.6405 11
2.9255 11
12 O 3.264 10
2.5543 9
2.8115 10
2.7901 13
2.7901 13
2.8792 18
2.7573 9
2.5005 13
2.5543 9
2.8115 10
2.7573 9
13 O 3.264 10
2.7066 9
2.7371 10
2.7901 12
2.7901 12
2.5542 14
2.7324 9
2.5005 12
2.7066 9
2.7371 10
2.7324 9
14 O 3.264 10
2.7235 10
2.6647 11
2.5542 13
2.7898 18
2.7898 18
2.6293 11
2.5233 18
2.7235 10
2.6647 11
2.6293 11
15 O 3.264 9
2.6662 9
2.6879 11
3.0395 16
3.0395 16
3.1871 17
3.1871 17
2.5575 17
2.6662 9
2.6879 11
16 O 3.264 9
3.0273 9
2.5992 10
2.6392 11
3.0395 15
3.0395 15
2.6562 17
3.0273 9
2.5992 10
2.6392 11
17 O 3.264 8
2.6226 11
3.1871 15
3.1871 15
2.6562 16
2.6116 9
2.5575 15
2.6226 11
2.6116 9
18 O 3.264 10
2.8027 10
2.6683 11
2.8792 12
2.7898 14
2.7898 14
2.5428 11
2.5233 14
2.8027 10
2.6683 11
2.5428 11
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 1 4.862 9.723 0.055 275.48 2 6.5 11.8
2 1 0 0 5.54 11.08 0.063 211.62 2 12.4 32.8
3 1 0 -1 5.581 11.162 0.063 208.49 2 19.2 76.5
4 1 0 1 8.827 17.654 0.1 82.0 2 18.8 29.1
5 1 0 -2 8.905 17.809 0.1 80.54 2 63.1 320.7
6 0 1 1 9.339 18.678 0.105 73.02 4 0.4 0.0
7 1 1 0 9.714 19.429 0.11 67.32 4 22.1 65.8
8 1 1 -1 9.738 19.476 0.11 66.99 4 18.3 44.8
9 0 0 2 9.759 19.517 0.11 66.7 2 8.7 5.0
10 2 0 -1 10.037 20.073 0.113 62.93 2 1.1 0.1
11 2 0 0 11.133 22.265 0.125 50.75 2 67.3 230.1
12 2 0 -2 11.216 22.431 0.126 49.97 2 61.7 190.4
13 1 1 1 11.925 23.851 0.134 43.96 4 28.3 70.3
14 1 1 -2 11.984 23.967 0.135 43.51 4 22.4 43.7
15 0 1 2 12.64 25.279 0.142 38.9 4 2.7 0.6
16 2 1 -1 12.858 25.717 0.144 37.52 4 72.7 396.2
17 1 0 2 13.199 26.398 0.148 35.51 2 51.6 94.5
18 1 0 -3 13.288 26.575 0.149 35.01 2 17.7 10.9
19 2 1 0 13.742 27.484 0.154 32.6 4 11.0 7.9
20 2 1 -2 13.81 27.621 0.155 32.26 4 11.7 8.8
21 2 0 1 14.003 28.006 0.157 31.32 2 56.7 100.8
22 2 0 -3 14.137 28.274 0.159 30.7 2 11.3 3.9
23 0 0 3 14.729 29.458 0.165 28.12 2 26.8 20.2
24 3 0 -1 15.334 30.667 0.172 25.8 2 13.8 4.9
25 3 0 -2 15.38 30.76 0.172 25.63 2 68.1 119.0
26 1 1 2 15.486 30.972 0.173 25.26 4 20.0 20.3
27 1 1 -3 15.562 31.125 0.174 24.99 4 144.4 1042.5
28 0 2 0 16.068 32.136 0.18 23.32 2 136.2 433.0
29 2 1 1 16.186 32.372 0.181 22.96 4 41.4 78.7
30 2 1 -3 16.303 32.607 0.182 22.6 4 28.8 37.4
31 0 2 1 16.826 33.652 0.188 21.11 4 15.2 9.7
32 0 1 3 16.826 33.652 0.188 21.11 4 88.7 332.1
33 3 0 0 16.835 33.67 0.188 21.08 2 97.6 200.9
34 3 0 -3 16.963 33.926 0.189 20.74 2 6.1 0.8
35 1 2 0 17.046 34.091 0.19 20.52 4 68.0 189.9
36 1 2 -1 17.06 34.119 0.19 20.48 4 1.3 0.1
37 3 1 -1 17.365 34.731 0.194 19.71 4 108.6 464.9
38 3 1 -2 17.407 34.814 0.194 19.6 4 23.2 21.0
39 2 0 2 17.872 35.745 0.199 18.5 2 101.2 189.4
40 1 0 3 17.961 35.922 0.2 18.3 2 2.3 0.1
41 2 0 -4 18.034 36.068 0.201 18.14 2 11.7 2.5
42 1 0 -4 18.055 36.11 0.201 18.1 2 41.0 30.4
43 1 2 1 18.45 36.899 0.205 17.26 4 10.8 4.0
44 1 2 -2 18.489 36.978 0.206 17.18 4 51.2 90.1
45 3 1 0 18.723 37.445 0.208 16.71 4 21.3 15.1
46 3 1 -3 18.839 37.678 0.21 16.48 4 98.9 322.1
47 0 2 2 18.939 37.877 0.211 16.29 4 92.3 277.5
48 2 2 -1 19.092 38.183 0.212 16.0 4 32.6 34.0
49 3 0 1 19.57 39.14 0.217 15.15 2 18.3 5.1
50 2 1 2 19.673 39.347 0.219 14.97 4 22.1 14.7
51 2 2 0 19.723 39.446 0.219 14.89 4 15.9 7.5
52 1 1 3 19.755 39.51 0.219 14.84 4 40.6 48.9
53 3 0 -4 19.757 39.513 0.219 14.83 2 31.8 15.0
54 2 2 -2 19.773 39.545 0.22 14.81 4 56.3 94.0
55 0 0 4 19.816 39.631 0.22 14.74 2 7.6 0.9
56 2 1 -4 19.822 39.645 0.22 14.72 4 37.0 40.4
57 1 1 -4 19.842 39.684 0.22 14.69 4 34.9 35.7
58 4 0 -2 20.399 40.798 0.226 13.81 2 26.0 9.3
59 4 0 -1 20.974 41.948 0.232 12.98 2 110.5 158.5
60 1 2 2 21.027 42.054 0.233 12.91 4 9.8 2.5
61 4 0 -3 21.068 42.137 0.233 12.85 2 32.0 13.2
62 1 2 -3 21.086 42.172 0.234 12.83 4 52.1 69.5
63 3 1 1 21.249 42.498 0.235 12.61 4 1.3 0.0
64 3 1 -4 21.423 42.847 0.237 12.38 4 4.8 0.6
65 0 1 4 21.479 42.957 0.238 12.31 4 24.4 14.7
66 2 2 1 21.57 43.14 0.239 12.19 4 82.6 166.4
67 2 2 -3 21.662 43.325 0.24 12.08 4 91.4 201.7
68 4 1 -2 22.026 44.052 0.243 11.63 4 17.3 6.9
69 0 2 3 22.076 44.151 0.244 11.57 4 80.0 148.3
70 2 0 3 22.316 44.633 0.246 11.29 2 73.8 61.6
71 2 0 -5 22.496 44.991 0.248 11.09 2 14.1 2.2
72 3 2 -1 22.507 45.014 0.248 11.08 4 29.5 19.2
73 3 2 -2 22.541 45.081 0.249 11.04 4 25.9 14.8
74 4 1 -1 22.567 45.134 0.249 11.01 4 11.2 2.8
75 4 1 -3 22.656 45.312 0.25 10.91 4 2.3 0.1
76 4 0 0 22.716 45.432 0.251 10.85 2 82.1 73.1
77 4 0 -4 22.892 45.785 0.253 10.66 2 27.8 8.3
78 1 0 4 22.98 45.959 0.253 10.57 2 35.2 13.1
79 1 0 -5 23.078 46.156 0.254 10.47 2 44.1 20.3
80 3 0 2 23.175 46.35 0.255 10.37 2 24.7 6.3
81 3 0 -5 23.403 46.807 0.258 10.14 2 52.7 28.2
82 3 2 0 23.616 47.232 0.26 9.94 4 21.5 9.2
83 3 2 -3 23.713 47.426 0.261 9.84 4 25.4 12.7
84 2 1 3 23.838 47.676 0.262 9.73 4 43.6 37.0
85 2 1 -5 24.008 48.017 0.264 9.57 4 3.9 0.3
86 4 1 0 24.218 48.436 0.266 9.38 4 6.6 0.8
87 4 1 -4 24.386 48.773 0.268 9.24 4 5.2 0.5
88 2 2 2 24.411 48.821 0.268 9.22 4 81.1 121.2
89 1 1 4 24.469 48.939 0.269 9.17 4 42.4 33.0
90 1 2 3 24.48 48.959 0.269 9.16 4 32.5 19.3
91 2 2 -4 24.536 49.072 0.27 9.11 4 92.9 157.1
92 1 2 -4 24.553 49.105 0.27 9.1 4 60.8 67.3
93 1 1 -5 24.563 49.127 0.27 9.09 4 51.6 48.4
94 3 1 2 24.656 49.312 0.271 9.01 4 52.5 49.7
95 3 1 -5 24.874 49.747 0.273 8.83 4 3.1 0.2
96 0 3 1 25.07 50.141 0.275 8.67 4 0.5 0.0
97 0 0 5 25.071 50.142 0.275 8.67 2 20.0 3.5
98 1 3 0 25.23 50.459 0.277 8.55 4 30.5 15.9
99 1 3 -1 25.24 50.48 0.277 8.54 4 10.3 1.8
100 4 0 1 25.437 50.873 0.279 8.39 2 22.4 4.2
101 4 0 -5 25.68 51.36 0.281 8.21 2 8.5 0.6
102 3 2 1 25.754 51.509 0.282 8.16 4 28.0 12.8
103 3 2 -4 25.905 51.811 0.284 8.05 4 2.6 0.1
104 5 0 -2 25.936 51.871 0.284 8.03 2 81.4 53.2
105 0 2 4 25.953 51.906 0.284 8.02 4 25.2 10.2
106 5 0 -3 25.986 51.971 0.284 7.99 2 23.7 4.5
107 1 3 1 26.271 52.542 0.287 7.8 4 28.0 12.3
108 1 3 -2 26.301 52.602 0.288 7.78 4 21.4 7.1
109 4 2 -2 26.429 52.857 0.289 7.69 4 37.0 21.0
110 0 1 5 26.472 52.945 0.289 7.66 4 43.0 28.4
111 0 3 2 26.643 53.287 0.291 7.55 4 2.5 0.1
112 2 3 -1 26.761 53.522 0.292 7.48 4 54.9 45.1
113 4 1 1 26.824 53.649 0.293 7.44 4 7.4 0.8
114 4 2 -1 26.902 53.805 0.294 7.39 4 31.2 14.4
115 5 0 -1 26.919 53.837 0.294 7.38 2 5.6 0.2
116 4 2 -3 26.981 53.961 0.294 7.34 4 30.2 13.4
117 4 1 -5 27.059 54.118 0.295 7.29 4 64.7 61.0
118 5 0 -4 27.065 54.13 0.295 7.29 2 27.9 5.7
119 2 0 4 27.173 54.346 0.296 7.22 2 35.6 9.1
120 2 3 0 27.25 54.5 0.297 7.17 4 10.7 1.6
121 2 3 -2 27.289 54.577 0.298 7.15 4 7.3 0.8
122 5 1 -2 27.305 54.611 0.298 7.14 4 49.2 34.6
123 5 1 -3 27.354 54.707 0.298 7.11 4 39.3 22.0
124 2 0 -6 27.367 54.733 0.298 7.11 2 66.9 31.8
125 3 0 3 27.41 54.819 0.299 7.08 2 25.6 4.6
126 3 0 -6 27.669 55.339 0.301 6.93 2 76.9 40.9
127 2 2 3 28.027 56.054 0.305 6.73 4 3.7 0.2
128 2 2 -5 28.179 56.358 0.307 6.65 4 23.6 7.4
129 1 0 5 28.255 56.509 0.307 6.61 2 53.5 18.9
130 5 1 -1 28.255 56.511 0.307 6.61 4 110.7 162.1
131 1 3 2 28.283 56.565 0.308 6.59 4 14.9 2.9
132 1 3 -3 28.33 56.66 0.308 6.57 4 101.8 136.3
133 1 0 -6 28.359 56.717 0.308 6.55 2 130.2 111.1
134 4 2 0 28.366 56.733 0.308 6.55 4 47.0 28.9
135 5 1 -4 28.397 56.794 0.309 6.53 4 22.4 6.5
136 2 1 4 28.502 57.003 0.31 6.48 4 36.9 17.7
137 4 2 -4 28.517 57.034 0.31 6.47 4 103.5 138.6
138 1 2 4 28.592 57.183 0.311 6.43 4 74.9 72.3
139 1 2 -5 28.676 57.352 0.311 6.39 4 6.7 0.6
140 2 1 -6 28.689 57.379 0.312 6.38 4 37.7 18.2
141 2 3 1 28.721 57.441 0.312 6.37 4 33.3 14.1
142 3 1 3 28.731 57.462 0.312 6.36 4 23.9 7.2
143 3 2 2 28.759 57.518 0.312 6.35 4 57.7 42.3
144 2 3 -3 28.795 57.591 0.313 6.33 4 22.4 6.4
145 5 0 0 28.862 57.724 0.313 6.3 2 18.5 2.1
146 4 0 2 28.944 57.887 0.314 6.26 2 16.1 1.6
147 3 2 -5 28.955 57.91 0.314 6.25 4 13.4 2.2
148 3 1 -6 28.983 57.966 0.315 6.24 4 7.4 0.7
149 5 0 -5 29.095 58.189 0.316 6.18 2 22.2 3.0
150 0 3 3 29.133 58.265 0.316 6.17 4 69.9 60.2
151 4 0 -6 29.241 58.481 0.317 6.12 2 145.7 129.9
152 3 3 -1 29.488 58.975 0.32 6.0 4 89.8 96.7
153 3 3 -2 29.515 59.03 0.32 5.99 4 30.9 11.4
154 1 1 5 29.551 59.103 0.32 5.97 4 80.7 77.8
155 1 1 -6 29.653 59.305 0.321 5.93 4 22.4 5.9
156 5 1 0 30.142 60.284 0.326 5.71 4 65.5 48.9
157 4 1 2 30.222 60.443 0.327 5.68 4 75.2 64.3
158 5 1 -5 30.369 60.738 0.328 5.62 4 18.6 3.9
159 0 2 5 30.406 60.812 0.329 5.6 4 10.5 1.2
160 3 3 0 30.412 60.823 0.329 5.6 4 23.6 6.2
161 3 3 -3 30.493 60.986 0.329 5.57 4 73.1 59.5
162 4 1 -6 30.511 61.022 0.33 5.56 4 11.2 1.4
163 0 0 6 30.563 61.127 0.33 5.54 2 29.6 4.8
164 4 2 1 30.728 61.457 0.332 5.47 4 9.5 1.0
165 4 2 -5 30.943 61.887 0.334 5.39 4 55.3 32.9
166 2 3 2 31.084 62.167 0.335 5.34 4 18.4 3.6
167 1 3 3 31.142 62.285 0.336 5.31 4 24.0 6.1
168 5 2 -2 31.17 62.34 0.336 5.3 4 24.5 6.4
169 2 3 -4 31.191 62.381 0.336 5.3 4 25.1 6.7
170 1 3 -4 31.205 62.409 0.336 5.29 4 17.9 3.4
171 5 2 -3 31.215 62.429 0.336 5.29 4 6.6 0.5
172 6 0 -3 31.523 63.046 0.339 5.17 2 50.4 13.2
173 5 0 1 31.654 63.308 0.341 5.13 2 12.4 0.8
174 0 1 6 31.802 63.604 0.342 5.07 4 1.3 0.0
175 6 0 -2 31.93 63.86 0.343 5.03 2 18.5 1.7
176 5 0 -6 31.962 63.925 0.344 5.02 2 44.3 9.8
177 6 0 -4 32.035 64.07 0.344 4.99 2 94.9 45.0
178 5 2 -1 32.048 64.096 0.344 4.99 4 18.5 3.4
179 3 0 4 32.16 64.32 0.346 4.95 2 53.2 14.0
180 5 2 -4 32.179 64.359 0.346 4.95 4 111.6 123.2
181 3 3 1 32.238 64.477 0.346 4.93 4 11.2 1.2
182 2 2 4 32.276 64.553 0.347 4.91 4 67.7 45.1
183 3 3 -4 32.369 64.739 0.348 4.88 4 2.5 0.1
184 2 0 5 32.411 64.822 0.348 4.87 2 15.1 1.1
185 0 3 4 32.411 64.822 0.348 4.87 4 16.1 2.5
186 3 0 -7 32.448 64.897 0.348 4.86 2 8.1 0.3
187 2 2 -6 32.451 64.902 0.348 4.86 4 72.0 50.3
188 3 2 3 32.49 64.98 0.349 4.84 4 41.4 16.6
189 2 0 -7 32.62 65.24 0.35 4.8 2 33.0 5.2
190 3 2 -6 32.724 65.449 0.351 4.77 4 101.0 97.3
191 6 1 -3 32.741 65.482 0.351 4.76 4 8.7 0.7
192 4 3 -2 32.826 65.652 0.352 4.74 4 9.2 0.8
193 5 1 1 32.87 65.74 0.352 4.72 4 30.0 8.5
194 4 0 3 33.104 66.209 0.355 4.65 2 57.2 15.2
195 6 1 -2 33.14 66.28 0.355 4.64 4 31.0 8.9
196 5 1 -6 33.172 66.344 0.355 4.63 4 12.5 1.5
197 6 0 -1 33.238 66.476 0.356 4.61 2 24.1 2.7
198 4 3 -1 33.242 66.483 0.356 4.61 4 10.7 1.1
199 6 1 -4 33.243 66.487 0.356 4.61 4 11.0 1.1
200 1 2 5 33.255 66.51 0.356 4.61 4 18.3 3.1
201 4 3 -3 33.31 66.621 0.356 4.59 4 0.7 0.0
202 1 2 -6 33.35 66.699 0.357 4.58 4 27.5 6.9
203 3 1 4 33.366 66.732 0.357 4.58 4 6.2 0.4
204 6 0 -5 33.444 66.889 0.358 4.55 2 45.2 9.3
205 4 0 -7 33.448 66.897 0.358 4.55 2 27.7 3.5
206 0 4 0 33.612 67.223 0.359 4.51 2 235.9 250.6
207 2 1 5 33.612 67.224 0.359 4.51 4 72.2 47.0
208 3 1 -7 33.649 67.298 0.36 4.5 4 39.9 14.3
209 5 2 0 33.809 67.618 0.361 4.45 4 52.3 24.3
210 2 1 -7 33.817 67.634 0.361 4.45 4 43.9 17.2
211 1 0 6 33.842 67.685 0.361 4.44 2 16.3 1.2
212 4 2 2 33.884 67.767 0.362 4.43 4 142.6 180.2
213 1 0 -7 33.953 67.906 0.363 4.41 2 27.4 3.3
214 5 2 -5 34.022 68.044 0.363 4.39 4 11.0 1.1
215 0 4 1 34.057 68.113 0.364 4.38 4 4.7 0.2
216 4 2 -6 34.156 68.312 0.364 4.36 4 40.4 14.2
217 1 4 0 34.188 68.377 0.365 4.35 4 6.2 0.3
218 1 4 -1 34.197 68.394 0.365 4.35 4 10.9 1.0
219 2 3 3 34.238 68.476 0.365 4.34 4 35.4 10.9
220 4 1 3 34.293 68.586 0.366 4.32 4 0.8 0.0
221 2 3 -5 34.374 68.747 0.366 4.3 4 6.4 0.4
222 6 1 -1 34.425 68.849 0.367 4.29 4 38.3 12.6
223 4 3 0 34.541 69.082 0.368 4.26 4 5.5 0.3
224 6 1 -5 34.627 69.255 0.369 4.24 4 3.4 0.1
225 4 1 -7 34.631 69.262 0.369 4.23 4 29.6 7.4
226 4 3 -4 34.676 69.352 0.369 4.22 4 2.4 0.0
227 1 3 4 34.743 69.486 0.37 4.21 4 42.9 15.5
228 1 3 -5 34.819 69.637 0.371 4.19 4 40.4 13.7
229 3 3 2 34.893 69.787 0.371 4.17 4 33.5 9.3
230 1 1 6 35.019 70.038 0.372 4.14 4 7.3 0.4
231 1 4 1 35.06 70.12 0.373 4.13 4 9.2 0.7
232 3 3 -5 35.07 70.14 0.373 4.13 4 9.4 0.7
233 1 4 -2 35.085 70.171 0.373 4.12 4 35.1 10.2
234 1 1 -7 35.128 70.256 0.374 4.11 4 8.4 0.6
235 5 0 2 35.194 70.388 0.374 4.1 2 75.9 23.6
236 0 4 2 35.375 70.75 0.376 4.06 4 3.6 0.1
237 0 2 6 35.376 70.752 0.376 4.06 4 68.1 37.7
238 6 0 0 35.397 70.794 0.376 4.05 2 30.6 3.8
239 2 4 -1 35.475 70.95 0.377 4.03 4 1.8 0.0
240 5 0 -7 35.57 71.14 0.378 4.01 2 16.6 1.1
241 6 0 -6 35.697 71.395 0.379 3.98 2 7.4 0.2
242 2 4 0 35.893 71.785 0.381 3.94 4 38.7 11.8
243 2 4 -2 35.926 71.852 0.381 3.94 4 35.8 10.1
244 6 2 -3 36.269 72.538 0.384 3.86 4 57.7 25.7
245 5 1 2 36.351 72.702 0.385 3.85 4 8.4 0.5
246 0 3 5 36.387 72.773 0.385 3.84 4 35.3 9.6
247 0 0 7 36.387 72.774 0.385 3.84 2 17.6 1.2
248 5 2 1 36.392 72.784 0.385 3.84 4 26.8 5.5
249 6 1 0 36.551 73.103 0.387 3.81 4 17.7 2.4
250 6 2 -2 36.65 73.3 0.387 3.79 4 72.1 39.4
251 5 2 -6 36.681 73.361 0.388 3.78 4 34.3 8.9
252 4 3 1 36.682 73.363 0.388 3.78 4 8.1 0.5
253 5 1 -7 36.722 73.444 0.388 3.77 4 0.6 0.0
254 6 2 -4 36.749 73.498 0.388 3.77 4 65.7 32.5
255 1 4 2 36.784 73.569 0.389 3.76 4 30.8 7.1
256 1 4 -3 36.826 73.651 0.389 3.75 4 12.2 1.1
257 6 1 -6 36.848 73.696 0.389 3.75 4 32.4 7.9
258 3 2 4 36.866 73.732 0.389 3.75 4 14.9 1.7
259 4 3 -5 36.879 73.758 0.39 3.74 4 54.5 22.3
260 5 3 -2 37.088 74.175 0.391 3.7 4 49.3 18.0
261 2 2 5 37.102 74.204 0.392 3.7 4 24.2 4.3
262 5 3 -3 37.129 74.257 0.392 3.7 4 27.7 5.7
263 3 2 -7 37.137 74.274 0.392 3.69 4 11.7 1.0
264 2 4 1 37.167 74.333 0.392 3.69 4 37.7 10.5
265 2 4 -3 37.232 74.465 0.393 3.68 4 2.8 0.1
266 2 2 -7 37.298 74.597 0.393 3.67 4 17.8 2.3
267 3 0 5 37.412 74.824 0.394 3.64 2 74.2 20.1
268 0 4 3 37.528 75.057 0.395 3.62 4 12.8 1.2
269 0 1 7 37.529 75.058 0.395 3.62 4 59.7 25.9
270 7 0 -3 37.666 75.331 0.397 3.6 2 28.2 2.9
271 7 0 -4 37.723 75.445 0.397 3.59 2 39.5 5.6
272 3 0 -8 37.73 75.46 0.397 3.59 2 92.8 30.9
273 4 2 3 37.755 75.511 0.397 3.58 4 78.2 43.9
274 3 4 -1 37.842 75.683 0.398 3.57 4 8.4 0.5
275 4 0 4 37.865 75.729 0.398 3.57 2 67.8 16.4
276 3 4 -2 37.866 75.732 0.398 3.57 4 50.0 17.8
277 6 2 -1 37.882 75.764 0.399 3.56 4 38.1 10.4
278 5 3 -1 37.899 75.798 0.399 3.56 4 100.2 71.5
279 5 3 -4 38.021 76.042 0.4 3.54 4 13.5 1.3
280 6 2 -5 38.077 76.155 0.4 3.53 4 99.2 69.5
281 2 0 6 38.079 76.158 0.4 3.53 2 67.8 16.2
282 4 2 -7 38.081 76.162 0.4 3.53 4 2.1 0.0
283 2 3 4 38.111 76.222 0.401 3.53 4 32.4 7.4
284 4 0 -8 38.255 76.51 0.402 3.5 2 25.2 2.2
285 2 3 -6 38.273 76.547 0.402 3.5 4 30.9 6.7
286 2 0 -8 38.306 76.613 0.402 3.49 2 64.7 14.6
287 3 3 3 38.31 76.619 0.402 3.49 4 24.7 4.3
288 6 0 1 38.35 76.699 0.403 3.49 2 29.6 3.1
289 1 2 6 38.455 76.91 0.404 3.47 4 39.6 10.9
290 7 0 -2 38.457 76.913 0.404 3.47 2 3.8 0.0
291 3 3 -6 38.528 77.057 0.404 3.46 4 11.9 1.0
292 3 1 5 38.543 77.086 0.404 3.46 4 16.6 1.9
293 1 2 -7 38.56 77.12 0.405 3.45 4 9.1 0.6
294 7 0 -5 38.627 77.253 0.405 3.44 2 11.7 0.5
295 3 4 0 38.664 77.327 0.406 3.44 4 67.1 31.0
296 3 4 -3 38.736 77.473 0.406 3.43 4 3.5 0.1
297 6 0 -7 38.738 77.477 0.406 3.43 2 6.4 0.1
298 7 1 -3 38.794 77.589 0.407 3.42 4 3.4 0.1
299 7 1 -4 38.851 77.702 0.407 3.41 4 28.4 5.5
300 3 1 -8 38.858 77.717 0.407 3.41 4 1.9 0.0
301 4 1 4 38.992 77.983 0.408 3.39 4 18.3 2.3
302 1 3 5 39.025 78.049 0.409 3.39 4 71.9 35.0
303 1 3 -6 39.113 78.227 0.409 3.37 4 12.0 1.0
304 2 1 6 39.204 78.408 0.41 3.36 4 26.5 4.7
305 2 4 2 39.268 78.535 0.411 3.35 4 81.1 44.1
306 1 4 3 39.321 78.641 0.411 3.34 4 2.2 0.0
307 2 4 -4 39.364 78.728 0.412 3.34 4 2.7 0.0
308 1 4 -4 39.377 78.754 0.412 3.34 4 34.1 7.8
309 4 1 -8 39.378 78.757 0.412 3.34 4 15.5 1.6
310 5 0 3 39.425 78.85 0.412 3.33 2 0.2 0.0
311 2 1 -8 39.429 78.859 0.412 3.33 4 12.2 1.0
312 6 1 1 39.472 78.945 0.413 3.32 4 3.1 0.1
313 5 3 0 39.545 79.09 0.413 3.31 4 57.9 22.2
314 7 1 -2 39.578 79.157 0.414 3.31 4 14.0 1.3
315 4 3 2 39.615 79.231 0.414 3.3 4 61.5 25.0
316 5 2 2 39.744 79.488 0.415 3.29 4 30.6 6.2
317 5 3 -5 39.746 79.492 0.415 3.29 4 6.9 0.3
318 7 1 -5 39.747 79.494 0.415 3.29 4 6.4 0.3
319 1 0 7 39.848 79.696 0.416 3.27 2 9.7 0.3
320 6 1 -7 39.858 79.716 0.416 3.27 4 79.0 40.8
321 5 0 -8 39.867 79.733 0.416 3.27 2 4.0 0.1
322 4 3 -6 39.872 79.744 0.416 3.27 4 8.9 0.5
323 6 2 0 39.939 79.878 0.417 3.26 4 13.9 1.3
324 1 0 -8 39.968 79.936 0.417 3.26 2 11.9 0.5
325 7 0 -1 40.08 80.16 0.418 3.24 2 20.6 1.4
326 5 2 -7 40.105 80.21 0.418 3.24 4 30.0 5.8
327 6 2 -6 40.227 80.455 0.419 3.23 4 41.2 11.0
328 3 4 1 40.317 80.634 0.42 3.22 4 15.2 1.5
329 7 0 -6 40.36 80.72 0.42 3.21 2 1.8 0.0
330 3 4 -4 40.437 80.873 0.421 3.2 4 35.1 7.9
331 0 4 4 40.475 80.949 0.421 3.2 4 8.3 0.4
332 5 1 3 40.539 81.079 0.422 3.19 4 11.3 0.8
333 4 4 -2 40.856 81.712 0.425 3.15 4 5.7 0.2
334 0 2 7 40.892 81.783 0.425 3.15 4 69.3 30.2
335 1 1 7 40.96 81.919 0.426 3.14 4 13.7 1.2
336 5 1 -8 40.978 81.956 0.426 3.14 4 1.8 0.0
337 0 3 6 41.03 82.06 0.426 3.13 4 1.2 0.0
338 1 1 -8 41.079 82.158 0.427 3.13 4 2.2 0.0
339 7 1 -1 41.19 82.38 0.427 3.12 4 15.0 1.4
340 4 4 -1 41.239 82.479 0.428 3.11 4 62.7 24.5
341 4 4 -3 41.303 82.606 0.428 3.11 4 16.1 1.6
342 7 1 -6 41.469 82.937 0.43 3.09 4 39.5 9.6
343 3 2 5 41.883 83.767 0.433 3.05 4 39.4 9.5
344 6 3 -3 41.884 83.768 0.433 3.05 4 6.9 0.3
345 5 3 1 42.002 84.004 0.434 3.04 4 32.1 6.2
346 6 0 2 42.06 84.121 0.435 3.03 2 18.2 1.0
347 7 2 -3 42.13 84.26 0.435 3.03 4 50.5 15.5
348 2 4 3 42.166 84.332 0.436 3.02 4 39.4 9.4
349 7 2 -4 42.185 84.371 0.436 3.02 4 2.4 0.0
350 3 2 -8 42.193 84.386 0.436 3.02 4 44.2 11.8
351 6 3 -2 42.25 84.5 0.436 3.02 4 27.9 4.7
352 5 3 -6 42.28 84.559 0.437 3.01 4 6.1 0.2
353 2 4 -5 42.293 84.586 0.437 3.01 4 7.5 0.3
354 4 2 4 42.324 84.647 0.437 3.01 4 30.0 5.4
355 6 3 -4 42.345 84.691 0.437 3.01 4 11.2 0.8
356 4 4 0 42.45 84.9 0.438 3.0 4 51.5 15.9
357 3 3 4 42.458 84.917 0.438 3.0 4 2.3 0.0
358 7 0 0 42.515 85.03 0.439 2.99 2 9.1 0.2
359 2 2 6 42.532 85.065 0.439 2.99 4 25.4 3.9
360 6 0 -8 42.536 85.072 0.439 2.99 2 75.1 16.9
361 4 4 -4 42.577 85.153 0.439 2.99 4 18.5 2.0
362 1 4 4 42.639 85.279 0.44 2.98 4 22.9 3.1
363 2 3 5 42.686 85.371 0.44 2.98 4 63.5 24.0
364 0 0 8 42.686 85.373 0.44 2.98 2 4.7 0.1
365 4 2 -8 42.704 85.408 0.44 2.98 4 23.3 3.2
366 1 4 -5 42.711 85.421 0.44 2.98 4 26.1 4.1
367 3 3 -7 42.72 85.439 0.44 2.98 4 37.4 8.3
368 2 2 -8 42.754 85.508 0.441 2.97 4 18.7 2.1
369 3 4 2 42.781 85.562 0.441 2.97 4 15.4 1.4
370 6 2 1 42.796 85.593 0.441 2.97 4 20.6 2.5
371 2 3 -7 42.875 85.751 0.442 2.96 4 38.9 9.0
372 7 2 -2 42.901 85.801 0.442 2.96 4 27.1 4.4
373 7 0 -7 42.903 85.805 0.442 2.96 2 18.7 1.0
374 3 4 -5 42.947 85.894 0.442 2.96 4 33.0 6.4
375 7 2 -5 43.067 86.134 0.443 2.95 4 15.7 1.5
376 6 1 2 43.162 86.323 0.444 2.94 4 20.2 2.4
377 6 2 -7 43.176 86.352 0.444 2.94 4 4.3 0.1
378 3 0 6 43.237 86.473 0.445 2.94 2 4.9 0.1
379 4 0 5 43.255 86.511 0.445 2.93 2 12.4 0.4
380 4 3 3 43.318 86.636 0.445 2.93 4 1.5 0.0
381 6 3 -1 43.441 86.882 0.446 2.92 4 34.1 6.8
382 3 0 -9 43.592 87.185 0.448 2.91 2 23.3 1.6
383 7 1 0 43.615 87.229 0.448 2.91 4 70.2 28.7
384 6 3 -5 43.631 87.261 0.448 2.91 4 0.3 0.0
385 4 3 -7 43.634 87.268 0.448 2.91 4 26.8 4.2
386 6 1 -8 43.636 87.272 0.448 2.91 4 35.9 7.5
387 4 0 -9 43.698 87.396 0.448 2.9 2 10.2 0.3
388 0 1 8 43.786 87.572 0.449 2.9 4 53.2 16.4
389 5 2 3 43.849 87.698 0.45 2.89 4 6.2 0.2
390 1 3 6 43.998 87.996 0.451 2.88 4 10.7 0.7
391 7 1 -7 44.002 88.003 0.451 2.88 4 63.0 22.9
392 1 3 -7 44.101 88.201 0.452 2.88 4 12.9 1.0
393 8 0 -4 44.196 88.392 0.453 2.87 2 8.8 0.2
394 0 5 1 44.197 88.393 0.453 2.87 4 1.9 0.0
395 0 4 5 44.197 88.394 0.453 2.87 4 11.9 0.8
396 1 2 7 44.265 88.53 0.453 2.87 4 1.1 0.0
397 5 2 -8 44.283 88.566 0.453 2.87 4 65.2 24.4
398 2 0 7 44.303 88.606 0.453 2.87 2 51.8 7.7
399 1 5 0 44.319 88.638 0.454 2.87 4 3.3 0.1
400 1 5 -1 44.327 88.654 0.454 2.86 4 11.2 0.7
401 3 1 6 44.335 88.67 0.454 2.86 4 33.6 6.5
402 4 1 5 44.354 88.707 0.454 2.86 4 44.7 11.4
403 5 0 4 44.359 88.717 0.454 2.86 2 0.9 0.0
404 1 2 -8 44.383 88.766 0.454 2.86 4 56.4 18.2
405 4 4 1 44.479 88.958 0.455 2.86 4 7.9 0.4
406 7 2 -1 44.493 88.987 0.455 2.86 4 24.6 3.4
407 8 0 -3 44.545 89.089 0.455 2.85 2 86.1 21.1
408 2 0 -9 44.555 89.111 0.455 2.85 2 46.5 6.2
409 4 4 -5 44.669 89.337 0.456 2.85 4 0.4 0.0
410 8 0 -5 44.671 89.342 0.456 2.85 2 37.6 4.0
411 3 1 -9 44.69 89.38 0.457 2.84 4 18.2 1.9
412 7 2 -6 44.77 89.539 0.457 2.84 4 34.8 6.9
413 4 1 -9 44.796 89.591 0.457 2.84 4 80.0 36.3
414 5 4 -2 44.869 89.738 0.458 2.84 4 54.3 16.7
415 5 0 -9 44.872 89.743 0.458 2.83 2 3.9 0.0
416 5 4 -3 44.908 89.817 0.458 2.83 4 10.5 0.6
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 1 4.862 9.723 9.08903 11.8 1.1 1.2 5.6
2 1 0 0 5.54 11.08 7.97885 32.8 3.1 3.2 5.6
3 1 0 -1 5.581 11.162 7.92055 76.5 7.3 7.4 5.6
4 1 0 1 8.827 17.654 5.01975 29.1 2.8 2.8 5.6
5 1 0 -2 8.905 17.809 4.97629 320.7 30.8 31.1 5.6
6 1 1 0 9.714 19.429 4.565 110.6 10.6 10.7 5.6
7 2 0 0 11.133 22.265 3.98943 230.1 22.1 22.2 5.6
8 2 0 -2 11.216 22.431 3.96027 190.4 18.3 18.4 5.6
9 1 1 1 11.925 23.851 3.7277 70.3 6.7 6.8 5.6
10 1 1 -2 11.984 23.967 3.7098 43.7 4.2 4.2 5.6
11 2 1 -1 12.858 25.717 3.46128 396.2 38.0 38.2 5.6
12 1 0 2 13.199 26.398 3.37342 94.5 9.1 9.1 5.6
13 1 0 -3 13.288 26.575 3.35136 10.9 1.0 1.1 5.6
14 2 0 1 14.003 28.006 3.18332 100.8 9.7 9.7 5.6
15 0 0 3 14.729 29.458 3.02968 20.2 1.9 1.9 5.6
16 3 0 -2 15.38 30.76 2.9043 119.0 11.4 11.4 5.6
17 1 1 2 15.486 30.972 2.88492 20.3 1.9 1.9 5.6
18 1 1 -3 15.562 31.125 2.87109 1042.5 100.0 100.0 5.6
19 0 2 0 16.068 32.136 2.783 433.0 41.5 41.5 5.6
20 2 1 1 16.186 32.372 2.76331 78.7 7.6 7.5 5.6
21 2 1 -3 16.303 32.607 2.74392 37.4 3.6 3.6 5.6
22 3 0 0 16.835 33.67 2.65962 542.6 52.1 51.9 5.7
23 1 2 0 17.046 34.091 2.62774 190.0 18.2 18.2 5.7
24 3 1 -1 17.365 34.731 2.58082 464.9 44.6 44.5 5.7
25 3 1 -2 17.407 34.814 2.57485 21.0 2.0 2.0 5.7
26 2 0 2 17.872 35.745 2.50988 189.4 18.2 18.1 5.7
27 1 0 -4 18.055 36.11 2.48532 32.9 3.2 3.1 5.7
28 1 2 -2 18.489 36.978 2.42896 90.1 8.6 8.6 5.7
29 3 1 0 18.723 37.445 2.39973 15.1 1.5 1.4 5.7
30 3 1 -3 18.839 37.678 2.38543 322.1 30.9 30.7 5.7
31 0 2 2 18.939 37.877 2.37334 277.5 26.6 26.5 5.7
32 2 2 -1 19.092 38.183 2.35503 34.0 3.3 3.2 5.7
33 2 1 2 19.673 39.347 2.28801 14.7 1.4 1.4 5.7
34 2 2 -2 19.773 39.545 2.277 157.9 15.1 15.0 5.7
35 2 1 -4 19.822 39.645 2.27151 76.1 7.3 7.2 5.7
36 4 0 -1 20.974 41.948 2.15195 158.5 15.2 15.0 5.7
37 1 2 -3 21.086 42.172 2.14104 82.7 7.9 7.8 5.7
38 0 1 4 21.479 42.957 2.10371 14.7 1.4 1.4 5.7
39 2 2 1 21.57 43.14 2.0952 166.4 16.0 15.8 5.7
40 2 2 -3 21.662 43.325 2.08672 201.7 19.3 19.1 5.7
41 0 2 3 22.076 44.151 2.04955 148.3 14.2 14.0 5.7
42 2 0 3 22.316 44.633 2.02854 61.6 5.9 5.8 5.7
43 3 2 -1 22.507 45.014 2.01222 21.4 2.1 2.0 5.7
44 3 2 -2 22.541 45.081 2.00939 17.6 1.7 1.7 5.7
45 4 0 0 22.716 45.432 1.99471 73.1 7.0 6.9 5.7
46 1 0 4 22.98 45.959 1.97304 13.1 1.3 1.2 5.7
47 1 0 -5 23.078 46.156 1.96506 20.3 2.0 1.9 5.7
48 3 0 -5 23.403 46.807 1.93927 28.2 2.7 2.7 5.7
49 3 2 -3 23.713 47.426 1.91539 12.7 1.2 1.2 5.7
50 2 1 3 23.838 47.676 1.90591 37.0 3.6 3.5 5.7
51 2 2 2 24.411 48.821 1.86385 121.2 11.6 11.4 5.7
52 1 1 4 24.469 48.939 1.85966 52.3 5.0 4.9 5.7
53 2 2 -4 24.536 49.072 1.8549 272.8 26.2 25.7 5.7
54 3 1 2 24.656 49.312 1.84645 49.7 4.8 4.7 5.7
55 1 3 0 25.23 50.459 1.80712 17.7 1.7 1.7 5.8
56 3 2 1 25.754 51.509 1.77273 12.8 1.2 1.2 5.8
57 5 0 -2 25.936 51.871 1.7612 63.3 6.1 5.9 5.8
58 1 3 1 26.271 52.542 1.74027 12.3 1.2 1.2 5.8
59 4 2 -2 26.429 52.857 1.73064 21.0 2.0 2.0 5.8
60 0 1 5 26.472 52.945 1.72799 28.4 2.7 2.7 5.8
61 2 3 -1 26.761 53.522 1.71072 45.1 4.3 4.2 5.8
62 4 2 -1 26.902 53.805 1.70238 14.6 1.4 1.4 5.8
63 4 2 -3 26.981 53.961 1.69782 13.4 1.3 1.3 5.8
64 4 1 -5 27.059 54.118 1.69328 66.7 6.4 6.2 5.8
65 5 1 -2 27.305 54.611 1.67915 34.6 3.3 3.2 5.8
66 2 0 -6 27.367 54.733 1.67568 53.7 5.2 5.0 5.8
67 3 0 -6 27.669 55.339 1.65876 40.9 3.9 3.8 5.8
68 5 1 -1 28.255 56.511 1.62711 183.9 17.6 17.2 5.8
69 1 3 -3 28.33 56.66 1.6232 247.4 23.7 23.1 5.8
70 4 2 0 28.366 56.733 1.62127 28.9 2.8 2.7 5.8
71 4 2 -4 28.517 57.034 1.61342 156.2 15.0 14.6 5.8
72 1 2 4 28.592 57.183 1.60957 72.3 6.9 6.7 5.8
73 2 1 -6 28.689 57.379 1.60454 18.2 1.7 1.7 5.8
74 2 3 1 28.721 57.441 1.60295 21.4 2.1 2.0 5.8
75 3 2 2 28.759 57.518 1.60099 42.3 4.1 3.9 5.8
76 0 3 3 29.133 58.265 1.58222 60.2 5.8 5.6 5.8
77 4 0 -6 29.241 58.481 1.57689 129.9 12.5 12.1 5.8
78 3 3 -1 29.488 58.975 1.56486 108.1 10.4 10.1 5.8
79 1 1 5 29.551 59.103 1.56178 77.8 7.5 7.2 5.8
80 5 1 0 30.142 60.284 1.53397 48.9 4.7 4.5 5.8
81 4 1 2 30.222 60.443 1.53032 64.3 6.2 6.0 5.8
82 3 3 -3 30.493 60.986 1.518 60.9 5.8 5.6 5.8
83 4 2 -5 30.943 61.887 1.49804 32.9 3.2 3.0 5.8
84 5 2 -2 31.17 62.34 1.48823 23.0 2.2 2.1 5.8
85 6 0 -3 31.523 63.046 1.47327 13.2 1.3 1.2 5.9
86 6 0 -4 32.035 64.07 1.45215 48.4 4.6 4.5 5.9
87 5 2 -4 32.179 64.359 1.44634 137.2 13.2 12.7 5.9
88 2 2 4 32.276 64.553 1.44246 45.1 4.3 4.2 5.9
89 2 2 -6 32.451 64.902 1.43554 50.3 4.8 4.6 5.9
90 3 2 3 32.49 64.98 1.43402 16.6 1.6 1.5 5.9
91 3 2 -6 32.724 65.449 1.42486 98.0 9.4 9.0 5.9
92 4 0 3 33.104 66.209 1.41035 15.2 1.5 1.4 5.9
93 6 0 -5 33.444 66.889 1.39765 12.8 1.2 1.2 5.9
94 0 4 0 33.612 67.223 1.3915 297.7 28.6 27.3 5.9
95 3 1 -7 33.649 67.298 1.39014 14.3 1.4 1.3 5.9
96 5 2 0 33.809 67.618 1.38434 41.5 4.0 3.8 5.9
97 4 2 2 33.884 67.767 1.38165 180.2 17.3 16.5 5.9
98 4 2 -6 34.156 68.312 1.37196 14.2 1.4 1.3 5.9
99 2 3 3 34.238 68.476 1.36907 10.9 1.0 1.0 5.9
100 6 1 -1 34.425 68.849 1.36256 12.6 1.2 1.2 5.9
101 1 3 4 34.743 69.486 1.35162 15.5 1.5 1.4 5.9
102 1 3 -5 34.819 69.637 1.34904 13.7 1.3 1.2 5.9
103 5 0 2 35.194 70.388 1.33649 23.6 2.3 2.2 5.9
104 0 2 6 35.376 70.752 1.33051 41.5 4.0 3.8 5.9
105 2 4 0 35.893 71.785 1.31387 11.8 1.1 1.1 5.9
106 6 2 -3 36.269 72.538 1.30207 25.7 2.5 2.3 5.9
107 0 3 5 36.387 72.773 1.29845 16.3 1.6 1.5 6.0
108 6 2 -2 36.65 73.3 1.29041 39.4 3.8 3.6 6.0
109 6 2 -4 36.749 73.498 1.28743 32.5 3.1 3.0 6.0
110 4 3 -5 36.879 73.758 1.28353 23.9 2.3 2.2 6.0
111 5 3 -2 37.088 74.175 1.27734 22.4 2.1 2.0 6.0
112 2 4 1 37.167 74.333 1.27501 10.5 1.0 0.9 6.0
113 3 0 5 37.412 74.824 1.26787 20.1 1.9 1.8 6.0
114 0 1 7 37.529 75.058 1.26448 27.0 2.6 2.4 6.0
115 4 2 3 37.755 75.511 1.25803 80.3 7.7 7.3 6.0
116 3 4 -2 37.866 75.732 1.2549 44.6 4.3 4.0 6.0
117 5 3 -1 37.899 75.798 1.25398 71.5 6.9 6.5 6.0
118 6 2 -5 38.077 76.155 1.24899 85.8 8.2 7.7 6.0
119 2 0 -8 38.306 76.613 1.24266 18.9 1.8 1.7 6.0
120 1 2 6 38.455 76.91 1.2386 10.9 1.0 1.0 6.0
121 3 4 0 38.664 77.327 1.23295 31.0 3.0 2.8 6.0
122 1 3 5 39.025 78.049 1.22334 35.0 3.4 3.1 6.0
123 2 4 2 39.268 78.535 1.21698 44.1 4.2 4.0 6.0
124 5 3 0 39.545 79.09 1.20983 22.2 2.1 2.0 6.0
125 4 3 2 39.615 79.231 1.20804 25.0 2.4 2.2 6.0
126 6 1 -7 39.858 79.716 1.2019 41.4 4.0 3.7 6.0
127 6 2 -6 40.227 80.455 1.19271 11.0 1.1 1.0 6.0
128 0 2 7 40.892 81.783 1.17667 30.2 2.9 2.7 6.1
129 4 4 -1 41.239 82.479 1.1685 24.5 2.3 2.2 6.1
130 7 2 -3 42.13 84.26 1.14828 15.5 1.5 1.4 6.1
131 3 2 -8 42.193 84.386 1.14689 21.2 2.0 1.9 6.1
132 4 4 0 42.45 84.9 1.14125 15.9 1.5 1.4 6.1
133 6 0 -8 42.536 85.072 1.13938 20.7 2.0 1.8 6.1
134 2 3 5 42.686 85.371 1.13615 31.4 3.0 2.8 6.1
135 2 3 -7 42.875 85.751 1.13209 14.4 1.4 1.3 6.1
136 7 1 0 43.615 87.229 1.11666 41.9 4.0 3.7 6.2
137 0 1 8 43.786 87.572 1.11318 16.4 1.6 1.4 6.2
138 7 1 -7 44.002 88.003 1.10883 22.9 2.2 2.0 6.2
139 5 2 -8 44.283 88.566 1.10323 32.1 3.1 2.8 6.2
140 1 2 -8 44.383 88.766 1.10126 36.1 3.5 3.2 6.2
141 8 0 -3 44.545 89.089 1.0981 27.3 2.6 2.4 6.2
142 4 1 -9 44.796 89.591 1.09325 43.2 4.1 3.8 6.2
143 5 4 -2 44.869 89.738 1.09184 16.7 1.6 1.5 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)
|