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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CLINOZOISITE
2, t-epidote, at 0.5 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 =0.046 NR =1299
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 = 8.874 alpha = 90.0
b = 5.593 beta = 115.4
c = 10.139 gamma = 90.0
Unit cell volume (cub. angs.) = 454.58
Molar volume ( cub.cm/mol.) = 136.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7604 0.75 0.1542 0.0 Ca = 1.00
2 0.6072 0.75 0.4236 0.0 Ca = 1.00
3 0.3388 0.75 0.0481 0.0 Si = 1.00
4 0.6788 0.25 0.2753 0.0 Si = 1.00
5 0.1814 0.75 0.3155 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 0.2891 0.25 0.2227 0.0 Al = 0.78, Fe = 0.22
9 0.233 0.9953 0.042 0.0 O = 1.00
10 0.304 0.984 0.355 0.0 O = 1.00
11 0.79 0.0128 0.346 0.0 O = 1.00
12 0.052 0.25 0.13 0.0 O = 1.00
13 0.037 0.75 0.14 0.0 O = 1.00
14 0.062 0.75 0.403 0.0 O = 1.00
15 0.519 0.75 0.181 0.0 O = 1.00
16 0.513 0.25 0.299 0.0 O = 1.00
17 0.64 0.25 0.106 0.0 O = 1.00
18 0.079 0.25 0.426 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7604 0.75 0.1542
2 2 0.6072 0.75 0.4236
3 3 0.3388 0.75 0.0481
4 4 0.6788 0.25 0.2753
5 5 0.1814 0.75 0.3155
6 6 0.0 0.0 0.0
7 7 0.0 0.0 0.5
8 8 0.2891 0.25 0.2227
9 9 0.233 0.9953 0.042
10 10 0.304 0.984 0.355
11 11 0.79 0.0128 0.346
12 12 0.052 0.25 0.13
13 13 0.037 0.75 0.14
14 14 0.062 0.75 0.403
15 15 0.519 0.75 0.181
16 16 0.513 0.25 0.299
17 17 0.64 0.25 0.106
18 18 0.079 0.25 0.426
19 1 0.2396 0.25 0.8458
20 2 0.3928 0.25 0.5764
21 3 0.6612 0.25 0.9519
22 4 0.3212 0.75 0.7247
23 5 0.8186 0.25 0.6845
24 6 0.0 0.5 0.0
25 7 0.0 0.5 0.5
26 8 0.7109 0.75 0.7773
27 9 0.767 0.4953 0.958
28 10 0.696 0.484 0.645
29 11 0.21 0.5128 0.654
30 12 0.948 0.75 0.87
31 13 0.963 0.25 0.86
32 14 0.938 0.25 0.597
33 15 0.481 0.25 0.819
34 16 0.487 0.75 0.701
35 17 0.36 0.75 0.894
36 18 0.921 0.75 0.574
37 9 0.233 0.5047 0.042
38 10 0.304 0.516 0.355
39 11 0.79 0.4872 0.346
40 9 0.767 0.0047 0.958
41 10 0.696 0.016 0.645
42 11 0.21 0.9872 0.654
X-ray density (g/cm cub.) = 3.36
MU (1/cm) = 203.865 Mass attenuation coefficient (cm**2/g) = 60.721
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 7
2.3607 11
2.5197 13
2.7811 14
2.272 15
2.4678 9
2.3607 11
2.4678 9
2 Ca 2.88 8
2.7983 10
2.5506 11
2.2386 15
2.5211 10
2.5371 18
2.7983 10
2.5506 11
2.5211 10
3 Si 2.1 4
1.6486 9
1.5888 15
1.6519 17
1.6486 9
4 Si 2.1 4
1.6251 11
1.5893 16
1.5994 17
1.6251 11
5 Si 2.1 4
1.638 10
1.6888 13
1.6481 14
1.638 10
6 Al 2.316 6
1.924 9
1.8394 12
1.9178 13
1.8394 12
1.9178 13
1.924 9
7 Al 2.316 6
1.8492 11
1.9207 14
1.8603 18
1.9207 14
1.8603 18
1.8492 11
8 Al ,Fe 2.592 6
2.2026 9
1.9693 10
1.901 12
1.7965 16
2.2026 9
1.9693 10
9 O 3.264 10
2.9592 10
2.5758 12
2.7161 13
2.691 15
3.0722 16
2.7452 12
2.717 13
2.6182 17
2.8491 9
2.7439 9
10 O 3.264 8
2.9592 9
2.8358 12
2.7655 13
2.7309 14
2.6228 16
2.8198 18
2.9755 10
2.6175 10
11 O 3.264 9
2.669 14
2.7002 15
2.6504 16
2.5835 17
2.6852 18
2.6635 14
2.5594 18
2.6533 11
2.9397 11
12 O 3.264 10
2.5758 9
2.8358 10
2.8036 13
2.8036 13
2.9064 18
2.7452 9
2.5026 13
2.5758 9
2.8358 10
2.7452 9
13 O 3.264 10
2.7161 9
2.7655 10
2.8036 12
2.8036 12
2.5792 14
2.717 9
2.5026 12
2.7161 9
2.7655 10
2.717 9
14 O 3.264 10
2.7309 10
2.669 11
2.5792 13
2.8049 18
2.8049 18
2.6635 11
2.5362 18
2.7309 10
2.669 11
2.6635 11
15 O 3.264 9
2.691 9
2.7002 11
3.0511 16
3.0511 16
3.2019 17
3.2019 17
2.6336 17
2.691 9
2.7002 11
16 O 3.264 9
3.0722 9
2.6228 10
2.6504 11
3.0511 15
3.0511 15
2.6441 17
3.0722 9
2.6228 10
2.6504 11
17 O 3.264 8
2.5835 11
3.2019 15
3.2019 15
2.6441 16
2.6182 9
2.6336 15
2.5835 11
2.6182 9
18 O 3.264 10
2.8198 10
2.6852 11
2.9064 12
2.8049 14
2.8049 14
2.5594 11
2.5363 14
2.8198 10
2.6852 11
2.5594 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 4.824 9.649 0.055 279.78 2 4.8 6.3
2 1 0 0 5.514 11.028 0.062 213.63 2 18.1 67.7
3 1 0 -1 5.556 11.112 0.063 210.39 2 2.3 1.1
4 1 0 1 8.769 17.537 0.099 83.13 2 0.8 0.1
5 1 0 -2 8.848 17.697 0.1 81.6 2 54.8 236.9
6 0 1 1 9.286 18.573 0.105 73.88 4 17.0 41.2
7 1 1 0 9.668 19.335 0.109 68.0 4 4.8 3.0
8 0 0 2 9.683 19.367 0.109 67.77 2 6.8 3.0
9 1 1 -1 9.692 19.384 0.109 67.65 4 11.1 16.1
10 2 0 -1 9.998 19.996 0.113 63.44 2 9.7 5.7
11 2 0 0 11.08 22.16 0.125 51.25 2 53.7 142.9
12 2 0 -2 11.165 22.33 0.126 50.45 2 49.2 118.0
13 1 1 1 11.855 23.711 0.133 44.5 4 26.5 60.6
14 1 1 -2 11.915 23.83 0.134 44.04 4 7.4 4.6
15 0 1 2 12.556 25.112 0.141 39.45 4 1.1 0.1
16 2 1 -1 12.803 25.607 0.144 37.86 4 59.3 257.5
17 1 0 2 13.103 26.205 0.147 36.06 2 55.5 107.5
18 1 0 -3 13.193 26.387 0.148 35.54 2 6.0 1.2
19 2 1 0 13.676 27.352 0.153 32.93 4 2.7 0.5
20 2 1 -2 13.746 27.492 0.154 32.58 4 0.1 0.0
21 2 0 1 13.92 27.84 0.156 31.72 2 64.9 129.5
22 2 0 -3 14.057 28.114 0.158 31.07 2 25.2 19.1
23 0 0 3 14.614 29.228 0.164 28.6 2 34.7 33.3
24 3 0 -1 15.271 30.543 0.171 26.03 2 22.8 13.1
25 3 0 -2 15.319 30.638 0.171 25.85 2 82.7 171.3
26 1 1 2 15.382 30.764 0.172 25.63 4 4.0 0.8
27 1 1 -3 15.46 30.921 0.173 25.35 4 134.1 882.0
28 0 2 0 15.988 31.977 0.179 23.58 2 121.1 334.7
29 2 1 1 16.093 32.186 0.18 23.25 4 54.3 132.7
30 2 1 -3 16.213 32.427 0.181 22.88 4 22.1 21.6
31 0 1 3 16.705 33.41 0.187 21.44 4 77.0 245.8
32 0 2 1 16.738 33.476 0.187 21.35 4 13.1 7.1
33 3 0 0 16.754 33.509 0.187 21.3 2 87.4 157.4
34 3 0 -3 16.885 33.77 0.189 20.95 2 10.5 2.2
35 1 2 0 16.961 33.922 0.189 20.74 4 64.1 165.1
36 1 2 -1 16.976 33.951 0.19 20.71 4 15.2 9.2
37 3 1 -1 17.291 34.582 0.193 19.89 4 94.5 343.9
38 3 1 -2 17.333 34.667 0.193 19.79 4 15.8 9.6
39 2 0 2 17.751 35.503 0.198 18.78 2 85.7 133.4
40 1 0 3 17.824 35.647 0.199 18.62 2 15.0 4.0
41 2 0 -4 17.917 35.834 0.2 18.4 2 6.6 0.8
42 1 0 -4 17.92 35.84 0.2 18.4 2 52.9 49.9
43 1 2 1 18.35 36.699 0.204 17.46 4 4.0 0.5
44 1 2 -2 18.39 36.78 0.205 17.38 4 57.4 110.9
45 3 1 0 18.632 37.263 0.207 16.89 4 9.4 2.9
46 3 1 -3 18.751 37.501 0.209 16.65 4 86.7 242.1
47 0 2 2 18.829 37.658 0.209 16.5 4 79.6 202.2
48 2 2 -1 19.001 38.003 0.211 16.17 4 41.9 55.0
49 3 0 1 19.459 38.917 0.216 15.34 2 6.4 0.6
50 2 1 2 19.545 39.09 0.217 15.19 4 18.3 9.8
51 1 1 3 19.612 39.223 0.218 15.08 4 36.7 39.3
52 2 2 0 19.625 39.25 0.218 15.06 4 4.4 0.6
53 3 0 -4 19.65 39.299 0.218 15.01 2 16.4 3.9
54 0 0 4 19.658 39.316 0.218 15.0 2 20.1 5.9
55 2 2 -2 19.676 39.351 0.219 14.97 4 67.2 131.0
56 2 1 -4 19.698 39.395 0.219 14.93 4 24.1 16.8
57 1 1 -4 19.701 39.401 0.219 14.93 4 24.1 16.8
58 4 0 -2 20.318 40.635 0.225 13.94 2 23.2 7.3
59 4 0 -1 20.884 41.768 0.231 13.11 2 97.5 120.5
60 1 2 2 20.9 41.8 0.232 13.09 4 8.6 1.9
61 1 2 -3 20.96 41.92 0.232 13.0 4 42.0 44.4
62 4 0 -3 20.98 41.961 0.232 12.97 2 44.3 24.7
63 3 1 1 21.129 42.258 0.234 12.77 4 5.8 0.8
64 3 1 -4 21.308 42.616 0.236 12.53 4 7.1 1.2
65 0 1 4 21.316 42.631 0.236 12.52 4 28.6 19.9
66 2 2 1 21.451 42.902 0.237 12.34 4 89.4 191.0
67 2 2 -3 21.545 43.091 0.238 12.22 4 80.6 153.8
68 0 2 3 21.934 43.867 0.242 11.74 4 75.5 129.4
69 4 1 -2 21.934 43.868 0.242 11.74 4 30.9 21.7
70 2 0 3 22.153 44.306 0.245 11.48 2 72.7 58.8
71 2 0 -5 22.336 44.673 0.247 11.27 2 25.1 6.9
72 3 2 -1 22.402 44.805 0.247 11.2 4 38.0 31.2
73 3 2 -2 22.437 44.873 0.248 11.16 4 38.1 31.4
74 4 1 -1 22.467 44.935 0.248 11.12 4 6.8 1.0
75 4 1 -3 22.558 45.116 0.249 11.02 4 1.0 0.0
76 4 0 0 22.604 45.208 0.249 10.97 2 75.9 61.2
77 4 0 -4 22.785 45.57 0.251 10.78 2 24.4 6.2
78 1 0 4 22.797 45.594 0.252 10.76 2 37.6 14.7
79 1 0 -5 22.898 45.797 0.253 10.66 2 37.3 14.3
80 3 0 2 23.025 46.051 0.254 10.52 2 28.6 8.3
81 3 0 -5 23.259 46.518 0.256 10.29 2 50.5 25.4
82 3 2 0 23.498 46.995 0.259 10.05 4 14.3 4.0
83 3 2 -3 23.596 47.193 0.26 9.96 4 22.1 9.4
84 2 1 3 23.668 47.337 0.261 9.89 4 28.2 15.2
85 2 1 -5 23.843 47.686 0.262 9.72 4 2.2 0.1
86 4 1 0 24.098 48.195 0.265 9.49 4 18.9 6.6
87 2 2 2 24.26 48.521 0.267 9.35 4 68.2 84.2
88 4 1 -4 24.27 48.539 0.267 9.34 4 6.0 0.6
89 1 1 4 24.281 48.563 0.267 9.33 4 55.3 55.3
90 1 2 3 24.316 48.633 0.267 9.3 4 20.2 7.4
91 1 1 -5 24.378 48.756 0.268 9.25 4 41.2 30.4
92 2 2 -4 24.389 48.778 0.268 9.24 4 86.1 132.5
93 1 2 -4 24.391 48.783 0.268 9.23 4 49.5 43.7
94 3 1 2 24.499 48.998 0.269 9.14 4 43.2 33.0
95 3 1 -5 24.722 49.444 0.271 8.96 4 17.6 5.4
96 0 0 5 24.867 49.733 0.273 8.84 2 12.2 1.3
97 0 3 1 24.938 49.876 0.274 8.78 4 11.1 2.1
98 1 3 0 25.1 50.199 0.275 8.65 4 20.0 6.7
99 1 3 -1 25.11 50.22 0.275 8.64 4 5.8 0.6
100 4 0 1 25.293 50.586 0.277 8.5 2 9.9 0.8
101 4 0 -5 25.542 51.083 0.28 8.31 2 22.0 3.9
102 3 2 1 25.611 51.221 0.281 8.26 4 20.3 6.6
103 3 2 -4 25.765 51.53 0.282 8.15 4 11.0 1.9
104 0 2 4 25.772 51.543 0.282 8.15 4 39.0 23.9
105 5 0 -2 25.827 51.655 0.283 8.11 2 68.1 36.3
106 5 0 -3 25.878 51.757 0.283 8.07 2 22.8 4.0
107 1 3 1 26.129 52.258 0.286 7.89 4 26.5 10.7
108 1 3 -2 26.159 52.319 0.286 7.87 4 10.2 1.6
109 0 1 5 26.263 52.525 0.287 7.8 4 33.9 17.3
110 4 2 -2 26.309 52.618 0.288 7.77 4 33.8 17.2
111 0 3 2 26.493 52.987 0.29 7.65 4 0.9 0.0
112 2 3 -1 26.626 53.251 0.291 7.56 4 46.6 31.7
113 4 1 1 26.673 53.345 0.291 7.53 4 16.0 3.7
114 4 2 -1 26.775 53.551 0.292 7.47 4 20.5 6.1
115 5 0 -1 26.797 53.593 0.293 7.45 2 6.7 0.3
116 4 2 -3 26.855 53.711 0.293 7.42 4 19.2 5.3
117 4 1 -5 26.913 53.825 0.294 7.38 4 67.0 64.1
118 5 0 -4 26.946 53.892 0.294 7.36 2 17.4 2.2
119 2 0 4 26.962 53.923 0.294 7.35 2 47.4 16.0
120 2 3 0 27.108 54.217 0.296 7.26 4 5.0 0.3
121 2 3 -2 27.148 54.296 0.296 7.24 4 1.3 0.0
122 2 0 -6 27.16 54.32 0.296 7.23 2 70.2 34.5
123 5 1 -2 27.188 54.376 0.297 7.21 4 50.1 35.0
124 3 0 3 27.215 54.43 0.297 7.2 2 17.9 2.2
125 5 1 -3 27.237 54.475 0.297 7.18 4 27.4 10.4
126 3 0 -6 27.481 54.962 0.3 7.04 2 67.9 31.4
127 2 2 3 27.838 55.675 0.303 6.84 4 7.0 0.7
128 2 2 -5 27.993 55.986 0.305 6.75 4 12.9 2.2
129 1 0 5 28.022 56.044 0.305 6.73 2 47.2 14.5
130 1 3 2 28.117 56.234 0.306 6.68 4 2.2 0.1
131 5 1 -1 28.125 56.249 0.306 6.68 4 100.2 129.7
132 1 0 -6 28.129 56.257 0.306 6.68 2 120.9 94.4
133 1 3 -3 28.165 56.331 0.306 6.66 4 92.6 110.6
134 4 2 0 28.221 56.441 0.307 6.63 4 51.9 34.5
135 5 1 -4 28.27 56.539 0.307 6.6 4 18.6 4.4
136 2 1 4 28.284 56.569 0.308 6.59 4 37.2 17.7
137 4 2 -4 28.375 56.749 0.308 6.55 4 102.1 132.0
138 1 2 4 28.385 56.771 0.309 6.54 4 79.3 79.6
139 1 2 -5 28.472 56.943 0.309 6.49 4 1.2 0.0
140 2 1 -6 28.477 56.953 0.309 6.49 4 29.0 10.6
141 3 1 3 28.53 57.06 0.31 6.46 4 20.1 5.1
142 2 3 1 28.561 57.123 0.31 6.45 4 42.8 22.9
143 3 2 2 28.58 57.161 0.311 6.44 4 52.2 33.9
144 2 3 -3 28.638 57.276 0.311 6.41 4 16.8 3.5
145 5 0 0 28.715 57.43 0.312 6.37 2 28.9 5.2
146 4 0 2 28.759 57.519 0.312 6.35 2 4.1 0.1
147 3 2 -5 28.781 57.562 0.313 6.34 4 11.9 1.7
148 3 1 -6 28.788 57.576 0.313 6.33 4 4.9 0.3
149 5 0 -5 28.953 57.906 0.314 6.25 2 28.0 4.7
150 0 3 3 28.954 57.909 0.314 6.25 4 60.0 43.5
151 4 0 -6 29.063 58.127 0.315 6.2 2 143.2 123.1
152 1 1 5 29.313 58.626 0.318 6.08 4 75.6 67.2
153 3 3 -1 29.339 58.679 0.318 6.07 4 80.5 76.1
154 3 3 -2 29.368 58.735 0.318 6.06 4 25.7 7.8
155 1 1 -6 29.417 58.833 0.319 6.03 4 21.1 5.2
156 5 1 0 29.987 59.974 0.324 5.78 4 63.8 45.6
157 4 1 2 30.03 60.06 0.325 5.76 4 68.8 52.8
158 0 2 5 30.178 60.356 0.326 5.7 4 1.8 0.0
159 5 1 -5 30.218 60.437 0.327 5.68 4 7.0 0.5
160 3 3 0 30.251 60.502 0.327 5.67 4 16.3 2.9
161 0 0 6 30.305 60.611 0.328 5.64 2 38.2 8.0
162 4 1 -6 30.326 60.652 0.328 5.64 4 3.2 0.1
163 3 3 -3 30.334 60.669 0.328 5.63 4 63.0 43.2
164 4 2 1 30.553 61.106 0.33 5.54 4 20.8 4.6
165 4 2 -5 30.773 61.546 0.332 5.46 4 43.0 19.5
166 2 3 2 30.896 61.792 0.333 5.41 4 16.1 2.7
167 1 3 3 30.944 61.887 0.334 5.39 4 19.7 4.0
168 2 3 -4 31.005 62.011 0.334 5.37 4 13.9 2.0
169 1 3 -4 31.007 62.015 0.334 5.36 4 9.6 0.9
170 5 2 -2 31.026 62.052 0.335 5.36 4 36.5 13.8
171 5 2 -3 31.072 62.143 0.335 5.34 4 8.0 0.7
172 6 0 -3 31.388 62.777 0.338 5.22 2 40.9 8.4
173 5 0 1 31.472 62.944 0.339 5.19 2 8.9 0.4
174 0 1 6 31.538 63.076 0.34 5.17 4 11.6 1.3
175 5 0 -6 31.787 63.574 0.342 5.08 2 36.8 6.7
176 6 0 -2 31.788 63.577 0.342 5.08 2 24.0 2.8
177 5 2 -1 31.891 63.783 0.343 5.04 4 20.8 4.2
178 6 0 -4 31.896 63.792 0.343 5.04 2 88.4 38.2
179 3 0 4 31.914 63.828 0.343 5.04 2 46.2 10.4
180 5 2 -4 32.026 64.051 0.344 5.0 4 102.9 102.4
181 2 2 4 32.04 64.079 0.344 4.99 4 55.3 29.5
182 3 3 1 32.055 64.11 0.345 4.99 4 5.7 0.3
183 2 0 5 32.145 64.29 0.345 4.96 2 11.9 0.7
184 3 3 -4 32.189 64.378 0.346 4.94 4 4.0 0.2
185 0 3 4 32.195 64.39 0.346 4.94 4 20.3 3.9
186 3 0 -7 32.209 64.417 0.346 4.94 2 5.3 0.1
187 2 2 -6 32.218 64.436 0.346 4.93 4 72.5 50.1
188 3 2 3 32.268 64.535 0.347 4.92 4 32.5 10.1
189 2 0 -7 32.359 64.717 0.347 4.89 2 17.9 1.5
190 3 2 -6 32.508 65.015 0.349 4.84 4 91.4 78.3
191 6 1 -3 32.598 65.195 0.35 4.81 4 4.8 0.2
192 4 3 -2 32.663 65.326 0.35 4.79 4 18.9 3.3
193 5 1 1 32.68 65.36 0.35 4.78 4 20.2 3.8
194 4 0 3 32.872 65.743 0.352 4.72 2 62.5 17.9
195 5 1 -6 32.989 65.977 0.353 4.69 4 17.5 2.8
196 6 1 -2 32.99 65.979 0.353 4.69 4 20.8 3.9
197 1 2 5 32.998 65.995 0.354 4.69 4 13.3 1.6
198 4 3 -1 33.072 66.144 0.354 4.66 4 8.6 0.7
199 6 0 -1 33.078 66.156 0.354 4.66 2 13.1 0.8
200 1 2 -6 33.094 66.189 0.354 4.66 4 17.4 2.7
201 6 1 -4 33.095 66.191 0.354 4.66 4 17.2 2.7
202 3 1 4 33.113 66.225 0.355 4.65 4 3.0 0.1
203 4 3 -3 33.142 66.285 0.355 4.64 4 1.9 0.0
204 4 0 -7 33.223 66.447 0.356 4.62 2 18.8 1.6
205 6 0 -5 33.289 66.577 0.356 4.6 2 38.7 6.7
206 2 1 5 33.339 66.679 0.357 4.58 4 61.7 33.8
207 3 1 -7 33.402 66.804 0.357 4.57 4 27.8 6.8
208 0 4 0 33.428 66.856 0.358 4.56 2 226.2 225.8
209 2 1 -7 33.549 67.098 0.359 4.52 4 42.6 15.9
210 1 0 6 33.551 67.103 0.359 4.52 2 12.2 0.7
211 5 2 0 33.629 67.257 0.359 4.5 4 45.1 17.8
212 1 0 -7 33.665 67.33 0.36 4.49 2 32.0 4.5
213 4 2 2 33.669 67.339 0.36 4.49 4 132.7 153.0
214 5 2 -5 33.846 67.693 0.362 4.44 4 5.3 0.2
215 0 4 1 33.867 67.735 0.362 4.43 4 3.9 0.1
216 4 2 -6 33.948 67.895 0.362 4.41 4 37.1 11.8
217 1 4 0 34.001 68.002 0.363 4.4 4 9.3 0.7
218 1 4 -1 34.01 68.019 0.363 4.4 4 1.3 0.0
219 2 3 3 34.012 68.024 0.363 4.4 4 22.6 4.3
220 4 1 3 34.053 68.106 0.363 4.38 4 5.6 0.3
221 2 3 -5 34.151 68.302 0.364 4.36 4 1.7 0.0
222 6 1 -1 34.256 68.512 0.365 4.33 4 36.3 11.0
223 4 3 0 34.354 68.708 0.366 4.31 4 14.5 1.7
224 4 1 -7 34.399 68.797 0.367 4.29 4 22.7 4.3
225 6 1 -5 34.463 68.926 0.367 4.28 4 4.5 0.2
226 4 3 -4 34.492 68.984 0.368 4.27 4 7.6 0.5
227 1 3 4 34.501 69.003 0.368 4.27 4 53.3 23.4
228 1 3 -5 34.579 69.158 0.368 4.25 4 32.5 8.7
229 3 3 2 34.677 69.353 0.369 4.22 4 25.0 5.1
230 1 1 6 34.721 69.443 0.37 4.21 4 16.4 2.2
231 1 1 -7 34.833 69.666 0.371 4.19 4 0.1 0.0
232 3 3 -5 34.857 69.713 0.371 4.18 4 21.2 3.6
233 1 4 1 34.861 69.723 0.371 4.18 4 1.7 0.0
234 1 4 -2 34.887 69.774 0.371 4.17 4 30.8 7.7
235 5 0 2 34.967 69.935 0.372 4.15 2 67.5 18.3
236 0 2 6 35.092 70.184 0.373 4.12 4 64.5 33.2
237 0 4 2 35.169 70.339 0.374 4.1 4 5.2 0.2
238 6 0 0 35.208 70.415 0.374 4.1 2 33.4 4.4
239 2 4 -1 35.282 70.564 0.375 4.08 4 4.4 0.2
240 5 0 -7 35.352 70.703 0.376 4.06 2 22.4 2.0
241 6 0 -6 35.514 71.029 0.377 4.03 2 13.8 0.7
242 2 4 0 35.693 71.387 0.379 3.99 4 30.7 7.3
243 2 4 -2 35.727 71.455 0.379 3.98 4 28.5 6.3
244 0 0 7 36.066 72.131 0.382 3.91 2 30.0 3.4
245 6 2 -3 36.099 72.198 0.382 3.9 4 48.1 17.4
246 5 1 2 36.116 72.232 0.383 3.89 4 11.1 0.9
247 0 3 5 36.123 72.246 0.383 3.89 4 28.3 6.0
248 5 2 1 36.178 72.355 0.383 3.88 4 26.2 5.2
249 6 1 0 36.353 72.707 0.385 3.85 4 7.9 0.5
250 4 3 1 36.466 72.932 0.386 3.82 4 15.1 1.7
251 5 2 -6 36.472 72.945 0.386 3.82 4 42.5 13.4
252 6 2 -2 36.473 72.947 0.386 3.82 4 68.6 34.8
253 5 1 -7 36.495 72.991 0.386 3.82 4 4.9 0.2
254 1 4 2 36.563 73.126 0.387 3.8 4 32.5 7.8
255 6 2 -4 36.574 73.149 0.387 3.8 4 60.1 26.6
256 3 2 4 36.591 73.182 0.387 3.8 4 18.7 2.6
257 1 4 -3 36.605 73.21 0.387 3.8 4 5.8 0.2
258 6 1 -6 36.656 73.312 0.388 3.79 4 25.8 4.9
259 4 3 -5 36.668 73.335 0.388 3.78 4 56.6 23.5
260 2 2 5 36.808 73.615 0.389 3.76 4 29.3 6.3
261 3 2 -7 36.868 73.735 0.389 3.74 4 15.2 1.7
262 5 3 -2 36.9 73.8 0.39 3.74 4 50.5 18.5
263 5 3 -3 36.942 73.884 0.39 3.73 4 18.1 2.4
264 2 4 1 36.95 73.901 0.39 3.73 4 42.8 13.2
265 2 2 -7 37.009 74.017 0.391 3.72 4 28.5 5.8
266 2 4 -3 37.017 74.035 0.391 3.72 4 10.4 0.8
267 3 0 5 37.104 74.207 0.392 3.7 2 64.3 14.8
268 0 1 7 37.201 74.401 0.392 3.68 4 52.2 19.4
269 0 4 3 37.295 74.59 0.393 3.67 4 17.1 2.1
270 3 0 -8 37.429 74.858 0.395 3.64 2 82.8 24.1
271 4 2 3 37.492 74.984 0.395 3.63 4 84.9 50.6
272 7 0 -3 37.495 74.99 0.395 3.63 2 34.1 4.1
273 7 0 -4 37.553 75.106 0.396 3.62 2 33.6 4.0
274 4 0 4 37.573 75.147 0.396 3.62 2 59.9 12.6
275 3 4 -1 37.634 75.268 0.396 3.61 4 13.8 1.3
276 3 4 -2 37.659 75.318 0.397 3.6 4 58.4 23.8
277 6 2 -1 37.687 75.374 0.397 3.6 4 46.9 15.3
278 5 3 -1 37.699 75.398 0.397 3.59 4 93.0 60.2
279 2 0 6 37.747 75.494 0.397 3.59 2 57.7 11.6
280 5 3 -4 37.824 75.647 0.398 3.57 4 10.1 0.7
281 4 2 -7 37.824 75.649 0.398 3.57 4 3.5 0.1
282 2 3 4 37.836 75.673 0.398 3.57 4 32.6 7.3
283 6 2 -5 37.886 75.773 0.399 3.56 4 93.4 60.2
284 4 0 -8 37.972 75.944 0.399 3.55 2 30.1 3.1
285 2 0 -8 37.979 75.958 0.399 3.55 2 65.7 14.8
286 2 3 -6 38.002 76.005 0.4 3.54 4 25.2 4.4
287 3 3 3 38.048 76.097 0.4 3.54 4 22.5 3.5
288 6 0 1 38.12 76.24 0.401 3.52 2 22.5 1.7
289 1 2 6 38.135 76.27 0.401 3.52 4 35.4 8.6
290 3 1 5 38.227 76.454 0.402 3.51 4 16.2 1.8
291 1 2 -7 38.243 76.486 0.402 3.5 4 12.9 1.1
292 3 3 -6 38.272 76.544 0.402 3.5 4 10.3 0.7
293 7 0 -2 38.273 76.546 0.402 3.5 2 3.0 0.0
294 3 4 0 38.444 76.889 0.404 3.47 4 61.0 25.0
295 7 0 -5 38.447 76.893 0.404 3.47 2 19.2 1.2
296 6 0 -7 38.517 77.033 0.404 3.46 2 10.1 0.3
297 3 4 -3 38.519 77.037 0.404 3.46 4 6.1 0.2
298 3 1 -8 38.549 77.098 0.405 3.46 4 6.7 0.3
299 7 1 -3 38.614 77.229 0.405 3.45 4 3.9 0.1
300 7 1 -4 38.672 77.344 0.406 3.44 4 24.1 3.9
301 4 1 4 38.692 77.384 0.406 3.43 4 16.4 1.8
302 1 3 5 38.729 77.459 0.406 3.43 4 68.4 31.0
303 1 3 -6 38.82 77.64 0.407 3.42 4 10.3 0.7
304 2 1 6 38.864 77.728 0.407 3.41 4 23.0 3.5
305 2 4 2 39.023 78.046 0.409 3.39 4 72.2 34.1
306 1 4 3 39.066 78.132 0.409 3.38 4 5.1 0.2
307 4 1 -8 39.087 78.174 0.409 3.38 4 6.0 0.2
308 2 1 -8 39.094 78.189 0.409 3.38 4 3.9 0.1
309 2 4 -4 39.121 78.243 0.41 3.37 4 0.5 0.0
310 1 4 -4 39.123 78.247 0.41 3.37 4 41.0 10.9
311 5 0 3 39.143 78.286 0.41 3.37 2 3.1 0.0
312 6 1 1 39.234 78.468 0.411 3.36 4 0.8 0.0
313 5 3 0 39.322 78.643 0.411 3.34 4 57.3 21.2
314 4 3 2 39.36 78.72 0.412 3.34 4 56.7 20.8
315 7 1 -2 39.386 78.771 0.412 3.34 4 8.5 0.5
316 5 2 2 39.484 78.968 0.413 3.32 4 20.5 2.7
317 1 0 7 39.485 78.971 0.413 3.32 2 19.5 1.2
318 5 3 -5 39.526 79.053 0.413 3.32 4 3.4 0.1
319 7 1 -5 39.558 79.115 0.413 3.31 4 1.9 0.0
320 5 0 -8 39.594 79.187 0.414 3.31 2 4.1 0.1
321 1 0 -8 39.608 79.216 0.414 3.31 2 19.2 1.2
322 4 3 -6 39.622 79.244 0.414 3.3 4 3.1 0.1
323 6 1 -7 39.627 79.254 0.414 3.3 4 72.5 33.6
324 6 2 0 39.714 79.429 0.415 3.29 4 12.6 1.0
325 5 2 -7 39.852 79.705 0.416 3.27 4 36.3 8.4
326 7 0 -1 39.872 79.744 0.416 3.27 2 16.7 0.9
327 6 2 -6 40.009 80.017 0.417 3.25 4 35.9 8.1
328 3 4 1 40.074 80.148 0.418 3.25 4 8.3 0.4
329 7 0 -6 40.158 80.316 0.419 3.24 2 7.4 0.2
330 3 4 -4 40.196 80.393 0.419 3.23 4 26.2 4.3
331 0 4 4 40.202 80.404 0.419 3.23 4 0.8 0.0
332 5 1 3 40.249 80.497 0.419 3.22 4 2.0 0.0
333 0 2 7 40.539 81.078 0.422 3.19 4 77.5 37.1
334 1 1 7 40.589 81.177 0.422 3.18 4 18.7 2.2
335 4 4 -2 40.631 81.262 0.423 3.18 4 3.7 0.1
336 5 1 -8 40.696 81.393 0.423 3.17 4 7.4 0.3
337 0 3 6 40.706 81.412 0.423 3.17 4 5.7 0.2
338 1 1 -8 40.711 81.421 0.423 3.17 4 1.0 0.0
339 7 1 -1 40.973 81.946 0.426 3.14 4 6.6 0.3
340 4 4 -1 41.008 82.016 0.426 3.14 4 54.8 18.3
341 4 4 -3 41.073 82.146 0.426 3.13 4 23.4 3.3
342 7 1 -6 41.257 82.514 0.428 3.11 4 31.0 5.8
343 3 2 5 41.542 83.084 0.43 3.08 4 31.4 5.9
344 6 3 -3 41.668 83.336 0.432 3.07 4 4.0 0.1
345 5 3 1 41.743 83.486 0.432 3.06 4 24.0 3.4
346 6 0 2 41.778 83.556 0.432 3.06 2 21.6 1.4
347 3 2 -8 41.857 83.715 0.433 3.05 4 36.3 7.8
348 2 4 3 41.881 83.761 0.433 3.05 4 38.3 8.7
349 7 2 -3 41.922 83.843 0.434 3.05 4 56.1 18.6
350 7 2 -4 41.978 83.956 0.434 3.04 4 7.5 0.3
351 4 2 4 41.998 83.996 0.434 3.04 4 21.0 2.6
352 2 4 -5 42.01 84.02 0.434 3.04 4 14.3 1.2
353 5 3 -6 42.026 84.052 0.435 3.04 4 10.0 0.6
354 6 3 -2 42.027 84.054 0.435 3.04 4 20.8 2.5
355 6 3 -4 42.124 84.248 0.435 3.03 4 17.2 1.7
356 3 3 4 42.14 84.28 0.436 3.03 4 9.8 0.6
357 2 2 6 42.167 84.333 0.436 3.02 4 20.0 2.3
358 4 4 0 42.2 84.4 0.436 3.02 4 47.7 13.3
359 6 0 -8 42.263 84.526 0.437 3.01 2 64.7 12.2
360 7 0 0 42.271 84.541 0.437 3.01 2 17.1 0.9
361 0 0 8 42.285 84.569 0.437 3.01 2 2.9 0.0
362 4 4 -4 42.329 84.659 0.437 3.01 4 16.4 1.6
363 1 4 4 42.338 84.677 0.437 3.01 4 24.1 3.4
364 2 3 5 42.349 84.698 0.437 3.01 4 55.1 17.7
365 4 2 -8 42.386 84.771 0.438 3.0 4 27.4 4.4
366 2 2 -8 42.393 84.785 0.438 3.0 4 17.3 1.7
367 3 3 -7 42.407 84.813 0.438 3.0 4 28.0 4.6
368 1 4 -5 42.411 84.822 0.438 3.0 4 22.0 2.8
369 3 4 2 42.503 85.005 0.439 2.99 4 18.1 1.9
370 6 2 1 42.53 85.06 0.439 2.99 4 13.3 1.0
371 2 3 -7 42.543 85.085 0.439 2.99 4 36.8 7.8
372 7 0 -7 42.666 85.332 0.44 2.98 2 14.0 0.6
373 3 4 -5 42.672 85.344 0.44 2.98 4 31.6 5.8
374 7 2 -2 42.679 85.358 0.44 2.98 4 20.9 2.5
375 7 2 -5 42.849 85.697 0.441 2.97 4 8.2 0.4
376 3 0 6 42.851 85.701 0.441 2.97 2 7.0 0.1
377 6 1 2 42.87 85.74 0.442 2.96 4 14.4 1.2
378 4 0 5 42.891 85.781 0.442 2.96 2 14.9 0.6
379 6 2 -7 42.917 85.834 0.442 2.96 4 6.1 0.2
380 4 3 3 43.01 86.02 0.443 2.95 4 7.3 0.3
381 6 3 -1 43.199 86.398 0.444 2.94 4 31.7 5.7
382 3 0 -9 43.213 86.427 0.444 2.94 2 19.2 1.0
383 4 3 -7 43.332 86.664 0.445 2.93 4 22.3 2.8
384 4 0 -9 43.342 86.684 0.446 2.93 2 6.5 0.1
385 6 1 -8 43.353 86.706 0.446 2.93 4 33.8 6.5
386 7 1 0 43.361 86.721 0.446 2.93 4 75.6 32.4
387 0 1 8 43.375 86.749 0.446 2.93 4 47.1 12.6
388 6 3 -5 43.392 86.784 0.446 2.93 4 7.0 0.3
389 5 2 3 43.53 87.06 0.447 2.92 4 0.6 0.0
390 1 3 6 43.634 87.268 0.448 2.91 4 18.7 2.0
391 1 3 -7 43.739 87.477 0.449 2.9 4 6.6 0.2
392 7 1 -7 43.755 87.51 0.449 2.9 4 65.0 23.7
393 1 2 7 43.866 87.732 0.45 2.89 4 8.0 0.4
394 0 4 5 43.871 87.743 0.45 2.89 4 7.0 0.3
395 2 0 7 43.887 87.773 0.45 2.89 2 47.7 6.4
396 0 5 1 43.926 87.852 0.45 2.89 4 10.5 0.6
397 3 1 6 43.939 87.878 0.45 2.89 4 44.2 10.9
398 5 2 -8 43.973 87.945 0.451 2.89 4 58.6 19.2
399 4 1 5 43.979 87.958 0.451 2.89 4 37.7 7.9
400 8 0 -4 43.983 87.966 0.451 2.89 2 16.0 0.7
401 1 2 -8 43.987 87.973 0.451 2.89 4 52.0 15.1
402 5 0 4 44.006 88.012 0.451 2.88 2 6.3 0.1
403 1 5 0 44.05 88.1 0.451 2.88 4 5.7 0.2
404 1 5 -1 44.058 88.116 0.451 2.88 4 7.4 0.3
405 2 0 -9 44.144 88.288 0.452 2.88 2 40.2 4.5
406 4 4 1 44.199 88.397 0.453 2.87 4 0.3 0.0
407 7 2 -1 44.246 88.493 0.453 2.87 4 22.2 2.7
408 3 1 -9 44.301 88.602 0.453 2.87 4 21.6 2.6
409 8 0 -3 44.324 88.649 0.454 2.86 2 82.6 18.9
410 4 4 -5 44.392 88.783 0.454 2.86 4 8.0 0.4
411 4 1 -9 44.429 88.859 0.454 2.86 4 77.5 33.2
412 8 0 -5 44.453 88.906 0.455 2.86 2 38.0 4.0
413 7 2 -6 44.528 89.056 0.455 2.85 4 29.3 4.8
414 5 0 -9 44.529 89.058 0.455 2.85 2 11.1 0.3
415 5 4 -2 44.615 89.23 0.456 2.85 4 45.6 11.5
416 5 4 -3 44.655 89.31 0.456 2.85 4 10.1 0.6
417 1 5 1 44.852 89.705 0.458 2.84 4 9.0 0.4
418 1 5 -2 44.877 89.753 0.458 2.83 4 0.2 0.0
419 5 3 2 44.952 89.904 0.459 2.83 4 17.6 1.7
420 2 1 7 44.974 89.947 0.459 2.83 4 27.4 4.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 0 5.514 11.028 8.0162 67.7 7.7 7.8 5.6
2 1 0 -2 8.848 17.697 5.00771 236.9 26.9 27.1 5.6
3 0 1 1 9.286 18.573 4.77336 41.2 4.7 4.7 5.6
4 1 1 -1 9.692 19.384 4.57552 22.1 2.5 2.5 5.6
5 2 0 0 11.08 22.16 4.0081 142.9 16.2 16.3 5.6
6 2 0 -2 11.165 22.33 3.97799 118.0 13.4 13.5 5.6
7 1 1 1 11.855 23.711 3.74937 60.6 6.9 6.9 5.6
8 2 1 -1 12.803 25.607 3.47593 257.5 29.2 29.3 5.6
9 1 0 2 13.103 26.205 3.39785 107.5 12.2 12.2 5.6
10 2 0 1 13.92 27.84 3.20195 129.5 14.7 14.7 5.6
11 2 0 -3 14.057 28.114 3.17133 19.1 2.2 2.2 5.6
12 0 0 3 14.614 29.228 3.05297 33.3 3.8 3.8 5.6
13 3 0 -1 15.271 30.543 2.92447 13.1 1.5 1.5 5.6
14 3 0 -2 15.319 30.638 2.91563 171.3 19.4 19.4 5.6
15 1 1 -3 15.46 30.921 2.88958 882.0 100.0 100.0 5.6
16 0 2 0 15.988 31.977 2.7965 334.7 37.9 37.9 5.6
17 2 1 1 16.093 32.186 2.77879 132.7 15.0 15.0 5.6
18 2 1 -3 16.213 32.427 2.75872 21.6 2.4 2.4 5.6
19 0 1 3 16.705 33.41 2.67974 245.8 27.9 27.8 5.7
20 3 0 0 16.754 33.509 2.67207 164.5 18.7 18.6 5.7
21 1 2 0 16.961 33.922 2.64044 174.4 19.8 19.7 5.7
22 3 1 -1 17.291 34.582 2.59157 343.9 39.0 38.9 5.7
23 3 1 -2 17.333 34.667 2.58542 9.6 1.1 1.1 5.7
24 2 0 2 17.751 35.503 2.52643 133.4 15.1 15.1 5.7
25 1 0 -4 17.92 35.84 2.50345 49.9 5.7 5.6 5.7
26 1 2 -2 18.39 36.78 2.44159 110.9 12.6 12.5 5.7
27 3 1 -3 18.751 37.501 2.39626 242.1 27.5 27.3 5.7
28 0 2 2 18.829 37.658 2.38668 202.2 22.9 22.8 5.7
29 2 2 -1 19.001 38.003 2.36578 55.0 6.2 6.2 5.7
30 2 1 2 19.545 39.09 2.30243 9.8 1.1 1.1 5.7
31 1 1 3 19.612 39.223 2.29493 39.8 4.5 4.5 5.7
32 2 2 -2 19.676 39.351 2.28776 174.3 19.8 19.6 5.7
33 4 0 -1 20.884 41.768 2.16081 122.4 13.9 13.7 5.7
34 1 2 -3 20.96 41.92 2.15331 69.1 7.8 7.8 5.7
35 0 1 4 21.316 42.631 2.11903 21.1 2.4 2.4 5.7
36 2 2 1 21.451 42.902 2.10628 191.0 21.7 21.4 5.7
37 2 2 -3 21.545 43.091 2.09749 153.8 17.4 17.2 5.7
38 0 2 3 21.934 43.867 2.06214 151.1 17.1 16.9 5.7
39 2 0 3 22.153 44.306 2.04276 58.8 6.7 6.6 5.7
40 3 2 -1 22.402 44.805 2.02115 31.2 3.5 3.5 5.7
41 3 2 -2 22.437 44.873 2.01823 31.4 3.6 3.5 5.7
42 4 0 0 22.604 45.208 2.00405 61.2 6.9 6.8 5.7
43 1 0 4 22.797 45.594 1.98797 20.9 2.4 2.3 5.7
44 1 0 -5 22.898 45.797 1.97966 14.3 1.6 1.6 5.7
45 3 0 -5 23.259 46.518 1.95063 25.4 2.9 2.8 5.7
46 3 2 -3 23.596 47.193 1.9243 9.4 1.1 1.1 5.7
47 2 1 3 23.668 47.337 1.91879 15.2 1.7 1.7 5.7
48 2 2 2 24.26 48.521 1.87468 140.1 15.9 15.6 5.7
49 1 2 -4 24.391 48.783 1.86524 206.6 23.4 23.0 5.7
50 3 1 2 24.499 48.998 1.85754 33.0 3.7 3.7 5.7
51 0 2 4 25.772 51.543 1.77163 25.9 2.9 2.9 5.8
52 5 0 -2 25.827 51.655 1.76808 36.3 4.1 4.0 5.8
53 1 3 1 26.129 52.258 1.74908 10.7 1.2 1.2 5.8
54 0 1 5 26.263 52.525 1.7408 17.3 2.0 1.9 5.8
55 4 2 -2 26.309 52.618 1.73796 17.2 2.0 1.9 5.8
56 2 3 -1 26.626 53.251 1.71876 31.7 3.6 3.5 5.8
57 4 1 -5 26.913 53.825 1.70179 64.1 7.3 7.1 5.8
58 2 0 4 26.962 53.923 1.69892 18.2 2.1 2.0 5.8
59 5 1 -2 27.188 54.376 1.68585 69.5 7.9 7.7 5.8
60 5 1 -3 27.237 54.475 1.68302 12.6 1.4 1.4 5.8
61 3 0 -6 27.481 54.962 1.66924 31.4 3.6 3.5 5.8
62 1 0 5 28.022 56.044 1.63955 14.5 1.6 1.6 5.8
63 5 1 -1 28.125 56.249 1.63405 224.0 25.4 24.7 5.8
64 1 3 -3 28.165 56.331 1.63189 110.6 12.5 12.2 5.8
65 4 2 0 28.221 56.441 1.62896 34.5 3.9 3.8 5.8
66 2 1 4 28.284 56.569 1.62558 22.1 2.5 2.4 5.8
67 4 2 -4 28.375 56.749 1.62084 211.6 24.0 23.3 5.8
68 2 1 -6 28.477 56.953 1.61552 10.6 1.2 1.2 5.8
69 3 2 2 28.58 57.161 1.61014 56.8 6.4 6.3 5.8
70 0 3 3 28.954 57.909 1.59112 48.3 5.5 5.3 5.8
71 4 0 -6 29.063 58.127 1.58567 123.1 14.0 13.5 5.8
72 3 3 -1 29.339 58.679 1.57206 151.1 17.1 16.6 5.8
73 5 1 0 29.987 59.974 1.54117 45.6 5.2 5.0 5.8
74 4 1 2 30.03 60.06 1.53916 52.8 6.0 5.8 5.8
75 3 3 -3 30.334 60.669 1.52517 51.3 5.8 5.6 5.8
76 4 2 -5 30.773 61.546 1.50551 19.5 2.2 2.1 5.8
77 5 2 -2 31.026 62.052 1.49444 16.8 1.9 1.8 5.8
78 5 0 -6 31.787 63.574 1.46228 9.5 1.1 1.0 5.9
79 3 0 4 31.914 63.828 1.45709 52.7 6.0 5.8 5.9
80 5 2 -4 32.026 64.051 1.45254 132.0 15.0 14.4 5.9
81 2 2 -6 32.218 64.436 1.44479 54.2 6.1 5.9 5.9
82 3 2 3 32.268 64.535 1.44281 10.1 1.1 1.1 5.9
83 3 2 -6 32.508 65.015 1.43331 78.3 8.9 8.5 5.9
84 4 0 3 32.872 65.743 1.4192 17.9 2.0 1.9 5.9
85 2 1 5 33.339 66.679 1.40154 33.8 3.8 3.7 5.9
86 0 4 0 33.428 66.856 1.39825 232.6 26.4 25.2 5.9
87 2 1 -7 33.549 67.098 1.39379 16.5 1.9 1.8 5.9
88 5 2 0 33.629 67.257 1.39088 17.8 2.0 1.9 5.9
89 4 2 2 33.669 67.339 1.3894 157.4 17.8 17.1 5.9
90 4 2 -6 33.948 67.895 1.37936 11.8 1.3 1.3 5.9
91 6 1 -1 34.256 68.512 1.36844 11.0 1.3 1.2 5.9
92 1 3 4 34.501 69.003 1.35989 23.4 2.7 2.5 5.9
93 5 0 2 34.967 69.935 1.34404 18.3 2.1 2.0 5.9
94 0 2 6 35.092 70.184 1.33987 33.2 3.8 3.6 5.9
95 6 2 -3 36.099 72.198 1.30737 24.4 2.8 2.6 5.9
96 6 2 -2 36.473 72.947 1.29579 50.0 5.7 5.4 6.0
97 6 2 -4 36.574 73.149 1.29271 37.0 4.2 4.0 6.0
98 4 3 -5 36.668 73.335 1.28988 28.4 3.2 3.0 6.0
99 5 3 -2 36.9 73.8 1.2829 18.5 2.1 2.0 6.0
100 2 4 1 36.95 73.901 1.2814 15.6 1.8 1.7 6.0
101 3 0 5 37.104 74.207 1.27687 14.8 1.7 1.6 6.0
102 0 1 7 37.201 74.401 1.27402 19.4 2.2 2.1 6.0
103 3 0 -8 37.429 74.858 1.26737 24.1 2.7 2.6 6.0
104 4 2 3 37.492 74.984 1.26556 54.7 6.2 5.8 6.0
105 4 0 4 37.573 75.147 1.26322 16.5 1.9 1.8 6.0
106 3 4 -2 37.659 75.318 1.26077 25.1 2.8 2.7 6.0
107 5 3 -1 37.699 75.398 1.25963 75.5 8.6 8.1 6.0
108 2 0 6 37.747 75.494 1.25827 11.6 1.3 1.2 6.0
109 6 2 -5 37.886 75.773 1.25433 60.2 6.8 6.4 6.0
110 2 0 -8 37.979 75.958 1.25172 22.3 2.5 2.4 6.0
111 1 2 6 38.135 76.27 1.24738 10.3 1.2 1.1 6.0
112 3 4 0 38.444 76.889 1.23888 26.3 3.0 2.8 6.0
113 1 3 5 38.729 77.459 1.23118 31.0 3.5 3.3 6.0
114 2 4 2 39.023 78.046 1.22338 34.1 3.9 3.6 6.0
115 1 4 -4 39.123 78.247 1.22075 11.0 1.2 1.2 6.0
116 5 3 0 39.322 78.643 1.21558 21.2 2.4 2.3 6.0
117 4 3 2 39.36 78.72 1.21459 21.3 2.4 2.3 6.0
118 6 1 -7 39.627 79.254 1.20774 34.8 3.9 3.7 6.0
119 5 2 -7 39.852 79.705 1.20204 9.2 1.0 1.0 6.0
120 0 2 7 40.539 81.078 1.18511 37.1 4.2 3.9 6.1
121 4 4 -1 41.008 82.016 1.17391 18.3 2.1 1.9 6.1
122 2 4 3 41.881 83.761 1.15384 16.5 1.9 1.7 6.1
123 7 2 -3 41.922 83.843 1.15292 18.6 2.1 1.9 6.1
124 4 4 0 42.2 84.4 1.14672 13.3 1.5 1.4 6.1
125 6 0 -8 42.263 84.526 1.14533 13.1 1.5 1.4 6.1
126 2 3 5 42.349 84.698 1.14345 22.6 2.6 2.4 6.1
127 3 3 -7 42.407 84.813 1.14219 13.5 1.5 1.4 6.1
128 7 1 0 43.361 86.721 1.1219 54.6 6.2 5.7 6.1
129 7 1 -7 43.755 87.51 1.1138 23.7 2.7 2.5 6.2
130 3 1 6 43.939 87.878 1.11008 10.9 1.2 1.1 6.2
131 5 2 -8 43.973 87.945 1.10941 43.0 4.9 4.5 6.2
132 8 0 -3 44.324 88.649 1.10242 21.5 2.4 2.2 6.2
133 4 1 -9 44.429 88.859 1.10035 37.2 4.2 3.8 6.2
134 5 4 -2 44.615 89.23 1.09674 11.5 1.3 1.2 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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