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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TUMCHAITE
1
Na(2)[Zr(0.8)Sn(0.2)]Si(4)O(11).2H(2)O
Monoclinic P 2(1)/c Z = 2
R =0.043 NR =865
20 .9 .1901
Ref.Str.:
V.V. Subbotin, S. Merlino, Yu. Pushcharosky et al. (2000)
* Amer. Mineral., 85, 1516-1520
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.144 alpha = 90.0
b = 8.818 beta = 113.22
c = 7.537 gamma = 90.0
Unit cell volume (cub. angs.) = 558.49
Molar volume ( cub.cm/mol.) = 168.2
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.0 0.01 Zr = 0.8 , Sn = 0.2
2 0.1669 0.1582 0.1993 0.01 Si = 1.00
3 0.3176 0.4421 0.4124 0.0 Si = 1.00
4 0.2051 0.6884 0.7109 0.02 Na = 1.00
5 0.3148 0.2659 0.3454 0.01 O = 1.00
6 0.1164 0.0345 0.3187 0.01 O = 1.00
7 0.026 0.2676 0.066 0.01 O = 1.00
8 0.2471 0.0643 0.0791 0.01 O = 1.00
9 0.2145 0.5425 0.2299 0.01 O = 1.00
10 0.5 0.0 0.0 0.02 O = 1.00
11 0.3709 0.6921 0.0371 0.03 H(2)O = 1.00
12 0.498 0.684 0.075 0.05 H = 1.00
13 0.352 0.602 0.09 0.05 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.0
2 2 0.1669 0.1582 0.1993
3 3 0.3176 0.4421 0.4124
4 4 0.2051 0.6884 0.7109
5 5 0.3148 0.2659 0.3454
6 6 0.1164 0.0345 0.3187
7 7 0.026 0.2676 0.066
8 8 0.2471 0.0643 0.0791
9 9 0.2145 0.5425 0.2299
10 10 0.5 0.0 0.0
11 11 0.3709 0.6921 0.0371
12 12 0.498 0.684 0.075
13 13 0.352 0.602 0.09
14 1 0.0 0.0 0.5
15 2 0.8331 0.6582 0.3007
16 3 0.6824 0.9421 0.0876
17 4 0.7949 0.1884 0.7891
18 5 0.6852 0.7659 0.1546
19 6 0.8836 0.5345 0.1813
20 7 0.974 0.7676 0.434
21 8 0.7529 0.5643 0.4209
22 9 0.7855 0.0425 0.2701
23 10 0.5 0.5 0.5
24 11 0.6291 0.1921 0.4629
25 12 0.502 0.184 0.425
26 13 0.648 0.102 0.41
27 2 0.1669 0.3418 0.6993
28 3 0.3176 0.0579 0.9124
29 4 0.2051 0.8116 0.2109
30 5 0.3148 0.2341 0.8454
31 6 0.1164 0.4655 0.8187
32 7 0.026 0.2324 0.566
33 8 0.2471 0.4357 0.5791
34 9 0.2145 0.9575 0.7299
35 11 0.3709 0.8079 0.5371
36 12 0.498 0.816 0.575
37 13 0.352 0.898 0.59
38 2 0.8331 0.8418 0.8007
39 3 0.6824 0.5579 0.5876
40 4 0.7949 0.3116 0.2891
41 5 0.6852 0.7341 0.6546
42 6 0.8836 0.9655 0.6813
43 7 0.974 0.7324 0.934
44 8 0.7529 0.9357 0.9209
45 9 0.7855 0.4575 0.7701
46 11 0.6291 0.3079 0.9629
47 12 0.502 0.316 0.925
48 13 0.648 0.398 0.91
X-ray density (g/cm cub.) = 2.8
MU (1/cm) = 161.362 Mass attenuation coefficient (cm**2/g) = 57.621
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zr ,Sn 3.024 6
2.1001 7
2.0761 9
2.059 6
2.059 6
2.1001 7
2.0761 9
2 Si 2.268 4
1.6641 5
1.5939 6
1.606 7
1.6025 8
3 Si 2.268 4
1.6308 5
1.5944 9
1.6156 10
1.6236 8
4 Na 2.976 6
2.3249 11
2.4148 7
2.3877 6
2.5299 8
2.3768 9
2.5867 11
5 O 3.432 7
2.6847 6
2.6502 7
2.5675 8
2.6303 9
2.6327 10
2.7314 11
2.5666 8
6 O 3.432 8
2.6847 5
2.7008 7
2.5417 8
2.9803 7
2.9018 9
2.9013 7
2.946 9
3.0162 11
7 O 3.432 8
2.6502 5
2.7008 6
2.6746 8
2.9486 9
2.9803 6
2.9013 6
2.9575 9
3.4173 11
8 O 3.432 6
2.5675 5
2.5417 6
2.6746 7
2.6668 10
2.5666 5
2.6989 9
9 O 3.432 9
2.6303 5
2.9486 7
2.7451 11
2.9018 6
2.6286 10
2.946 6
2.6989 8
3.205 11
2.9575 7
10 O 3.432 8
2.6668 8
3.0172 11
2.6327 5
2.6286 9
2.6327 5
2.6286 9
2.6668 8
3.0172 11
11 H(2)O 3.6 7
3.5265 8
2.7451 9
3.0172 10
2.7314 5
3.0162 6
3.205 9
3.4173 7
12 H 1.8 2
1.0843 11
1.7326 5
13 H 1.8 1
0.9351 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 1 0 0 5.259 10.519 0.06 235.05 2 102.8 1593.2
2 1 1 0 7.274 14.549 0.082 121.79 4 36.6 208.8
3 0 1 1 8.13 16.259 0.092 97.07 4 16.8 34.9
4 1 1 -1 8.204 16.408 0.093 95.28 4 94.6 1092.8
5 0 2 0 10.062 20.123 0.113 62.61 2 69.5 193.8
6 2 0 0 10.564 21.127 0.119 56.6 2 41.6 62.8
7 1 1 1 11.005 22.009 0.124 51.99 4 112.2 839.7
8 2 1 -1 11.17 22.341 0.126 50.39 4 51.6 172.1
9 1 2 0 11.379 22.757 0.128 48.49 4 52.2 169.7
10 2 1 0 11.717 23.434 0.132 45.61 4 21.8 27.7
11 1 0 -2 11.797 23.593 0.133 44.97 2 17.0 8.3
12 0 2 1 11.952 23.905 0.134 43.75 4 31.6 56.2
13 1 2 -1 12.004 24.007 0.135 43.36 4 36.4 73.6
14 1 1 -2 12.845 25.691 0.144 37.6 4 51.9 130.0
15 0 0 2 12.851 25.702 0.144 37.57 2 42.8 44.1
16 2 0 -2 13.042 26.084 0.146 36.42 2 202.0 953.2
17 0 1 2 13.825 27.65 0.155 32.19 4 24.8 25.3
18 2 1 -2 14.004 28.007 0.157 31.32 4 18.2 13.3
19 1 2 1 14.098 28.196 0.158 30.88 4 81.0 259.6
20 2 2 -1 14.23 28.459 0.16 30.27 4 29.9 34.8
21 2 2 0 14.669 29.339 0.164 28.37 4 49.4 88.6
22 2 1 1 15.306 30.612 0.171 25.9 4 163.7 890.5
23 3 1 -1 15.51 31.019 0.174 25.17 4 38.6 48.1
24 1 2 -2 15.6 31.2 0.175 24.86 4 15.6 7.7
25 1 0 2 15.779 31.559 0.177 24.26 2 0.7 0.0
26 3 0 0 15.962 31.923 0.179 23.66 2 59.5 53.8
27 3 0 -2 16.095 32.191 0.18 23.24 2 158.7 375.1
28 1 3 0 16.119 32.237 0.18 23.17 4 49.2 72.0
29 0 2 2 16.429 32.858 0.184 22.23 4 79.8 181.4
30 0 3 1 16.54 33.079 0.185 21.91 4 36.0 36.4
31 1 3 -1 16.578 33.156 0.185 21.8 4 171.1 818.0
32 2 2 -2 16.582 33.164 0.185 21.79 4 9.6 2.6
33 1 1 2 16.596 33.192 0.185 21.75 4 41.4 47.9
34 3 1 0 16.77 33.54 0.187 21.26 4 4.7 0.6
35 3 1 -2 16.898 33.797 0.189 20.91 4 4.8 0.6
36 2 2 1 17.714 35.427 0.198 18.87 4 38.1 35.2
37 3 2 -1 17.893 35.786 0.199 18.46 4 31.0 22.8
38 1 3 1 18.193 36.386 0.203 17.8 4 43.8 43.8
39 2 3 -1 18.298 36.597 0.204 17.57 4 87.6 173.0
40 2 3 0 18.652 37.304 0.208 16.85 4 6.0 0.8
41 1 1 -3 18.741 37.481 0.209 16.67 4 87.5 163.5
42 2 1 -3 18.843 37.687 0.21 16.47 4 20.2 8.6
43 1 2 2 18.858 37.715 0.21 16.44 4 64.8 88.6
44 3 2 0 19.014 38.028 0.211 16.15 4 41.5 35.7
45 3 2 -2 19.129 38.258 0.213 15.93 4 8.6 1.5
46 1 3 -2 19.413 38.825 0.216 15.42 4 46.1 42.0
47 2 0 2 19.844 39.687 0.22 14.69 2 78.8 58.5
48 0 3 2 20.104 40.207 0.223 14.27 4 10.1 1.9
49 0 1 3 20.174 40.348 0.224 14.16 4 60.6 66.7
50 4 0 -2 20.233 40.465 0.224 14.07 2 4.0 0.1
51 2 3 -2 20.233 40.465 0.224 14.07 4 13.6 3.3
52 3 1 1 20.244 40.489 0.225 14.05 4 72.8 95.5
53 0 4 0 20.451 40.903 0.227 13.74 2 114.7 115.9
54 3 1 -3 20.462 40.925 0.227 13.72 4 102.6 185.3
55 4 1 -1 20.468 40.936 0.227 13.71 4 59.3 61.8
56 2 1 2 20.519 41.038 0.228 13.64 4 46.3 37.5
57 1 2 -3 20.801 41.602 0.231 13.23 4 5.9 0.6
58 2 2 -3 20.895 41.791 0.232 13.09 4 18.9 6.0
59 4 1 -2 20.897 41.795 0.232 13.09 4 18.3 5.6
60 1 4 0 21.176 42.352 0.234 12.71 4 60.5 59.6
61 2 3 1 21.196 42.392 0.235 12.68 4 9.7 1.5
62 3 3 -1 21.35 42.701 0.236 12.48 4 20.9 7.0
63 4 0 0 21.509 43.019 0.238 12.27 2 70.9 39.6
64 0 4 1 21.511 43.022 0.238 12.27 4 31.4 15.5
65 1 4 -1 21.542 43.084 0.238 12.23 4 5.5 0.5
66 0 2 3 22.123 44.246 0.244 11.52 4 18.5 5.0
67 4 1 0 22.143 44.286 0.245 11.49 4 46.0 31.1
68 1 3 2 22.188 44.377 0.245 11.44 4 11.9 2.1
69 3 2 1 22.189 44.377 0.245 11.44 4 53.9 42.7
70 3 3 0 22.325 44.65 0.247 11.28 4 12.4 2.2
71 3 2 -3 22.391 44.782 0.247 11.21 4 13.7 2.7
72 4 2 -1 22.397 44.793 0.247 11.2 4 37.3 20.0
73 3 3 -2 22.426 44.852 0.248 11.17 4 3.7 0.2
74 2 2 2 22.444 44.887 0.248 11.15 4 46.8 31.4
75 4 2 -2 22.796 45.593 0.252 10.76 4 76.2 80.1
76 1 4 1 22.858 45.717 0.252 10.7 4 48.9 32.7
77 1 1 3 22.903 45.805 0.253 10.65 4 37.9 19.7
78 2 4 -1 22.946 45.891 0.253 10.61 4 16.9 3.9
79 2 4 0 23.24 46.48 0.256 10.3 4 77.3 78.9
80 4 1 -3 23.336 46.672 0.257 10.21 4 87.5 100.2
81 1 4 -2 23.88 47.76 0.263 9.69 4 31.4 12.2
82 1 3 -3 23.91 47.82 0.263 9.66 4 1.6 0.0
83 4 2 0 23.963 47.927 0.264 9.61 4 69.0 58.8
84 2 3 -3 23.994 47.989 0.264 9.58 4 53.3 35.0
85 2 0 -4 24.134 48.269 0.265 9.46 2 37.6 8.6
86 0 4 2 24.469 48.937 0.269 9.17 4 78.6 72.6
87 2 4 -2 24.579 49.158 0.27 9.07 4 78.3 71.3
88 3 0 2 24.602 49.204 0.27 9.05 2 159.9 148.4
89 1 0 -4 24.663 49.326 0.271 9.0 2 33.9 6.6
90 1 2 3 24.68 49.359 0.271 8.99 4 14.8 2.5
91 2 1 -4 24.715 49.43 0.271 8.96 4 19.4 4.3
92 3 0 -4 24.883 49.765 0.273 8.82 2 37.4 7.9
93 5 0 -2 25.04 50.081 0.275 8.7 2 48.7 13.2
94 4 2 -3 25.09 50.179 0.275 8.66 4 8.5 0.8
95 0 3 3 25.103 50.205 0.275 8.65 4 33.4 12.4
96 3 3 1 25.162 50.324 0.276 8.6 4 61.2 41.3
97 3 1 2 25.175 50.349 0.276 8.59 4 54.7 32.9
98 1 1 -4 25.235 50.47 0.277 8.55 4 63.5 44.1
99 3 3 -3 25.346 50.692 0.278 8.46 4 124.0 166.8
100 4 3 -1 25.351 50.702 0.278 8.46 4 13.4 1.9
101 2 3 2 25.394 50.788 0.278 8.42 4 58.0 36.3
102 2 4 1 25.412 50.823 0.279 8.41 4 30.4 10.0
103 3 1 -4 25.451 50.901 0.279 8.38 4 0.3 0.0
104 3 4 -1 25.546 51.092 0.28 8.31 4 16.1 2.8
105 4 1 1 25.592 51.184 0.28 8.28 4 1.4 0.0
106 5 1 -2 25.606 51.211 0.281 8.27 4 23.9 6.1
107 4 3 -2 25.716 51.432 0.282 8.19 4 4.0 0.2
108 5 1 -1 25.832 51.664 0.283 8.1 4 95.1 93.9
109 1 4 2 26.28 52.56 0.287 7.79 4 93.4 87.1
110 2 2 -4 26.4 52.8 0.289 7.71 4 136.4 183.9
111 3 4 0 26.401 52.801 0.289 7.71 4 93.1 85.7
112 0 0 4 26.413 52.825 0.289 7.7 2 72.1 25.7
113 3 4 -2 26.49 52.98 0.29 7.65 4 50.3 24.8
114 1 5 0 26.505 53.011 0.29 7.64 4 39.9 15.6
115 2 1 3 26.62 53.241 0.291 7.57 4 55.6 30.0
116 4 3 0 26.787 53.574 0.293 7.46 4 0.1 0.0
117 0 5 1 26.789 53.577 0.293 7.46 4 76.6 56.2
118 1 5 -1 26.815 53.629 0.293 7.44 4 36.3 12.6
119 4 0 -4 26.829 53.659 0.293 7.43 2 119.9 68.5
120 3 2 2 26.839 53.678 0.293 7.43 4 61.2 35.7
121 1 2 -4 26.896 53.793 0.294 7.39 4 55.3 29.0
122 0 1 4 26.957 53.915 0.294 7.35 4 10.0 0.9
123 3 2 -4 27.103 54.206 0.296 7.26 4 38.7 13.9
124 5 1 -3 27.164 54.327 0.296 7.23 4 36.1 12.1
125 4 2 1 27.238 54.476 0.297 7.18 4 5.9 0.3
126 5 2 -2 27.251 54.503 0.297 7.17 4 62.4 35.8
127 5 0 0 27.279 54.557 0.298 7.16 2 72.1 23.9
128 4 1 -4 27.368 54.737 0.298 7.1 4 64.0 37.3
129 1 3 3 27.45 54.9 0.299 7.06 4 87.6 69.4
130 5 2 -1 27.468 54.936 0.299 7.05 4 31.0 8.7
131 1 4 -3 27.811 55.623 0.303 6.85 4 25.7 5.8
132 5 1 0 27.812 55.624 0.303 6.85 4 14.7 1.9
133 4 3 -3 27.831 55.662 0.303 6.84 4 126.6 140.5
134 2 4 -3 27.887 55.775 0.304 6.81 4 3.9 0.1
135 1 5 1 27.942 55.885 0.304 6.78 4 83.9 61.2
136 2 5 -1 28.018 56.036 0.305 6.74 4 25.9 5.8
137 2 2 3 28.225 56.45 0.307 6.62 4 10.2 0.9
138 2 5 0 28.273 56.547 0.307 6.6 4 49.3 20.6
139 0 2 4 28.549 57.098 0.31 6.46 4 45.5 17.1
140 5 2 -3 28.747 57.495 0.312 6.35 4 6.2 0.3
141 1 5 -2 28.832 57.664 0.313 6.31 4 35.0 9.9
142 0 4 3 28.889 57.777 0.314 6.28 4 42.2 14.3
143 3 4 1 28.943 57.885 0.314 6.26 4 60.5 29.4
144 4 2 -4 28.945 57.89 0.314 6.26 4 16.8 2.3
145 2 3 -4 29.055 58.11 0.315 6.2 4 2.7 0.1
146 3 4 -3 29.11 58.22 0.316 6.18 4 36.7 10.6
147 4 4 -1 29.115 58.229 0.316 6.18 4 10.7 0.9
148 2 4 2 29.154 58.307 0.316 6.16 4 74.9 44.3
149 1 0 4 29.228 58.457 0.317 6.12 2 97.5 37.3
150 0 5 2 29.35 58.699 0.318 6.06 4 46.4 16.7
151 5 2 0 29.373 58.745 0.318 6.05 4 1.8 0.0
152 4 4 -2 29.447 58.894 0.319 6.02 4 59.0 26.9
153 2 5 -2 29.447 58.894 0.319 6.02 4 26.0 5.2
154 3 3 2 29.467 58.935 0.319 6.01 4 43.6 14.7
155 1 3 -4 29.521 59.043 0.32 5.99 4 10.1 0.8
156 3 3 -4 29.716 59.431 0.322 5.9 4 52.7 21.0
157 1 1 4 29.739 59.477 0.322 5.89 4 15.5 1.8
158 5 0 -4 29.812 59.625 0.323 5.86 2 148.7 83.0
159 4 3 1 29.843 59.686 0.323 5.84 4 102.4 78.6
160 5 3 -2 29.856 59.711 0.323 5.84 4 18.9 2.7
161 4 0 2 29.881 59.763 0.323 5.82 2 137.7 70.8
162 5 3 -1 30.06 60.12 0.325 5.75 4 51.6 19.6
163 2 5 1 30.186 60.372 0.326 5.69 4 80.6 47.5
164 3 5 -1 30.306 60.612 0.328 5.64 4 92.6 62.0
165 5 1 -4 30.317 60.633 0.328 5.64 4 8.3 0.5
166 6 0 -2 30.362 60.724 0.328 5.62 2 118.5 50.6
167 4 1 2 30.385 60.77 0.328 5.61 4 11.2 0.9
168 4 4 0 30.43 60.86 0.329 5.59 4 75.9 41.3
169 2 3 3 30.776 61.552 0.332 5.45 4 106.9 80.0
170 6 1 -2 30.861 61.722 0.333 5.42 4 27.8 5.4
171 1 5 2 30.964 61.928 0.334 5.38 4 49.6 17.0
172 1 4 3 31.042 62.084 0.335 5.35 4 21.7 3.2
173 3 5 0 31.073 62.145 0.335 5.34 4 2.7 0.0
174 0 3 4 31.083 62.167 0.335 5.34 4 28.6 5.6
175 3 1 3 31.106 62.212 0.335 5.33 4 43.8 13.1
176 3 5 -2 31.153 62.306 0.336 5.31 4 9.9 0.7
177 1 2 4 31.239 62.478 0.337 5.28 4 47.3 15.2
178 5 3 -3 31.272 62.544 0.337 5.26 4 32.8 7.3
179 2 1 -5 31.309 62.618 0.337 5.25 4 25.8 4.5
180 5 1 1 31.322 62.644 0.337 5.25 4 68.3 31.4
181 4 4 -3 31.395 62.79 0.338 5.22 4 3.9 0.1
182 3 1 -5 31.426 62.853 0.338 5.21 4 108.5 78.7
183 4 3 -4 31.46 62.919 0.339 5.2 4 1.8 0.0
184 6 1 -1 31.58 63.16 0.34 5.15 4 38.5 9.8
185 0 6 0 31.609 63.218 0.34 5.14 2 67.7 15.1
186 6 1 -3 31.739 63.478 0.341 5.1 4 49.3 15.9
187 5 2 -4 31.801 63.601 0.342 5.07 4 47.4 14.6
188 4 2 2 31.867 63.734 0.343 5.05 4 73.6 35.1
189 5 3 0 31.867 63.734 0.343 5.05 4 21.2 2.9
190 1 6 0 32.146 64.291 0.345 4.96 4 63.6 25.7
191 1 1 -5 32.268 64.535 0.347 4.92 4 65.0 26.7
192 6 2 -2 32.331 64.661 0.347 4.9 4 73.5 33.9
193 1 5 -3 32.352 64.705 0.347 4.89 4 81.6 41.8
194 0 6 1 32.397 64.795 0.348 4.87 4 17.6 1.9
195 1 6 -1 32.42 64.841 0.348 4.87 4 24.4 3.7
196 2 5 -3 32.421 64.843 0.348 4.87 4 39.9 9.9
197 2 4 -4 32.537 65.073 0.349 4.83 4 88.0 47.9
198 3 2 3 32.569 65.139 0.349 4.82 4 3.2 0.1
199 4 1 -5 32.613 65.227 0.35 4.8 4 56.3 19.5
200 2 2 -5 32.767 65.535 0.351 4.76 4 30.6 5.7
201 5 2 1 32.78 65.561 0.351 4.75 4 7.2 0.3
202 3 2 -5 32.882 65.764 0.352 4.72 4 18.0 2.0
203 3 4 2 32.923 65.846 0.353 4.71 4 38.7 9.0
204 2 0 4 32.947 65.894 0.353 4.7 2 76.4 17.6
205 1 4 -4 32.974 65.948 0.353 4.69 4 72.5 31.7
206 6 2 -1 33.032 66.064 0.354 4.67 4 10.7 0.7
207 3 4 -4 33.156 66.313 0.355 4.64 4 52.8 16.6
208 6 2 -3 33.187 66.375 0.355 4.63 4 52.6 16.4
209 4 4 1 33.276 66.552 0.356 4.6 4 55.9 18.4
210 5 4 -2 33.288 66.576 0.356 4.6 4 90.6 48.4
211 0 5 3 33.34 66.68 0.357 4.58 4 79.2 36.8
212 6 0 0 33.366 66.732 0.357 4.58 2 120.6 42.7
213 3 5 1 33.39 66.78 0.357 4.57 4 73.5 31.7
214 2 1 4 33.424 66.849 0.358 4.56 4 20.0 2.3
215 1 6 1 33.43 66.86 0.358 4.56 4 34.9 7.1
216 5 4 -1 33.481 66.961 0.358 4.54 4 2.1 0.0
217 2 6 -1 33.498 66.996 0.358 4.54 4 56.6 18.6
218 3 5 -3 33.544 67.089 0.359 4.52 4 57.2 19.0
219 4 5 -1 33.549 67.097 0.359 4.52 4 66.1 25.4
220 2 5 2 33.585 67.169 0.359 4.51 4 38.7 8.6
221 1 3 4 33.654 67.307 0.36 4.49 4 11.4 0.7
222 6 0 -4 33.675 67.349 0.36 4.49 2 42.2 5.1
223 1 2 -5 33.704 67.408 0.36 4.48 4 3.1 0.1
224 2 6 0 33.728 67.457 0.36 4.47 4 50.8 14.8
225 6 1 0 33.84 67.68 0.361 4.44 4 44.5 11.3
226 4 5 -2 33.856 67.712 0.362 4.44 4 49.6 14.0
227 4 2 -5 34.042 68.084 0.363 4.39 4 33.1 6.2
228 6 1 -4 34.147 68.294 0.364 4.36 4 11.2 0.7
229 2 4 3 34.156 68.313 0.364 4.36 4 53.6 16.0
230 5 3 -4 34.194 68.389 0.365 4.35 4 15.7 1.4
231 1 6 -2 34.234 68.469 0.365 4.34 4 54.0 16.2
232 0 1 5 34.254 68.508 0.365 4.33 4 74.8 31.1
233 4 3 2 34.258 68.517 0.365 4.33 4 23.1 3.0
234 0 4 4 34.448 68.895 0.367 4.28 4 46.1 11.7
235 5 4 -3 34.627 69.253 0.369 4.24 4 23.6 3.0
236 6 3 -2 34.705 69.411 0.37 4.22 4 15.3 1.3
237 0 6 2 34.706 69.411 0.37 4.22 4 8.2 0.4
238 4 5 0 34.769 69.537 0.37 4.2 4 78.8 33.4
239 2 6 -2 34.795 69.589 0.37 4.19 4 74.4 29.7
240 4 4 -4 34.805 69.61 0.371 4.19 4 64.7 22.5
241 5 1 -5 34.812 69.625 0.371 4.19 4 2.3 0.0
242 2 2 4 34.836 69.673 0.371 4.18 4 14.4 1.1
243 3 3 3 34.936 69.872 0.372 4.16 4 77.8 32.3
244 2 3 -5 35.128 70.255 0.373 4.11 4 12.7 0.9
245 5 3 1 35.14 70.28 0.374 4.11 4 80.5 34.2
246 5 4 0 35.192 70.384 0.374 4.1 4 27.9 4.1
247 3 3 -5 35.238 70.477 0.375 4.09 4 0.5 0.0
248 6 2 0 35.244 70.489 0.375 4.09 4 27.8 4.0
249 1 5 3 35.34 70.681 0.375 4.06 4 28.9 4.3
250 6 3 -1 35.384 70.767 0.376 4.06 4 76.1 30.1
251 2 6 1 35.472 70.944 0.377 4.03 4 26.3 3.6
252 6 3 -3 35.534 71.068 0.377 4.02 4 27.7 4.0
253 6 2 -4 35.545 71.091 0.377 4.02 4 46.6 11.2
254 3 6 -1 35.582 71.165 0.378 4.01 4 1.8 0.0
255 0 2 5 35.651 71.301 0.378 4.0 4 2.8 0.0
256 5 0 2 35.663 71.326 0.378 3.99 2 11.7 0.4
257 4 5 -3 35.671 71.343 0.379 3.99 4 26.5 3.6
258 1 3 -5 36.035 72.069 0.382 3.91 4 98.4 48.5
259 5 1 2 36.123 72.246 0.383 3.89 4 62.0 19.2
260 7 0 -2 36.19 72.38 0.383 3.88 2 39.0 3.8
261 1 6 2 36.19 72.38 0.383 3.88 4 19.1 1.8
262 5 2 -5 36.2 72.399 0.383 3.88 4 30.2 4.5
263 4 1 3 36.261 72.522 0.384 3.86 4 18.1 1.6
264 3 6 0 36.29 72.581 0.384 3.86 4 29.3 4.2
265 4 3 -5 36.363 72.726 0.385 3.84 4 36.5 6.6
266 3 6 -2 36.365 72.73 0.385 3.84 4 64.8 20.7
267 7 1 -2 36.647 73.295 0.387 3.79 4 17.8 1.5
268 2 5 -4 36.747 73.494 0.388 3.77 4 7.3 0.3
269 1 4 4 36.901 73.802 0.39 3.74 4 18.0 1.6
270 7 1 -3 36.98 73.96 0.39 3.72 4 102.5 50.1
271 3 5 2 37.113 74.226 0.392 3.7 4 20.0 1.9
272 2 3 4 37.136 74.272 0.392 3.69 4 4.8 0.1
273 1 5 -4 37.161 74.323 0.392 3.69 4 77.9 28.7
274 1 1 5 37.192 74.384 0.392 3.68 4 26.4 3.3
275 3 5 -4 37.335 74.669 0.394 3.66 4 55.1 14.2
276 5 4 -4 37.421 74.842 0.394 3.64 4 38.9 7.1
277 4 5 1 37.448 74.897 0.395 3.64 4 14.6 1.0
278 5 5 -2 37.46 74.919 0.395 3.64 4 46.1 9.9
279 3 0 4 37.462 74.924 0.395 3.64 2 33.9 2.7
280 1 6 -3 37.482 74.965 0.395 3.63 4 18.1 1.5
281 4 4 2 37.483 74.965 0.395 3.63 4 54.8 14.0
282 5 2 2 37.49 74.981 0.395 3.63 4 17.4 1.4
283 6 1 1 37.507 75.014 0.395 3.63 4 21.8 2.2
284 6 3 0 37.534 75.067 0.395 3.62 4 17.4 1.4
285 2 6 -3 37.547 75.094 0.396 3.62 4 20.4 1.9
286 4 2 3 37.626 75.252 0.396 3.61 4 23.4 2.5
287 5 5 -1 37.643 75.285 0.396 3.6 4 65.5 19.8
288 7 1 -1 37.787 75.575 0.398 3.58 4 62.6 18.0
289 6 3 -4 37.827 75.655 0.398 3.57 4 54.7 13.7
290 3 0 -6 37.83 75.659 0.398 3.57 2 10.6 0.3
291 3 1 4 37.914 75.828 0.399 3.56 4 23.4 2.5
292 6 4 -2 37.914 75.828 0.399 3.56 4 99.8 45.4
293 0 3 5 37.93 75.86 0.399 3.56 4 120.2 65.9
294 6 1 -5 37.948 75.895 0.399 3.55 4 32.1 4.7
295 7 2 -2 38.008 76.015 0.4 3.54 4 25.0 2.8
296 3 4 3 38.137 76.274 0.401 3.52 4 8.0 0.3
297 1 7 0 38.192 76.385 0.401 3.51 4 4.3 0.1
298 2 0 -6 38.197 76.393 0.401 3.51 2 91.9 19.0
299 3 1 -6 38.28 76.56 0.402 3.5 4 1.8 0.0
300 2 5 3 38.287 76.574 0.402 3.5 4 13.9 0.9
301 2 4 -5 38.322 76.644 0.403 3.49 4 19.5 1.7
302 7 0 -4 38.323 76.647 0.403 3.49 2 50.2 5.6
303 5 4 1 38.334 76.668 0.403 3.49 4 43.3 8.4
304 7 2 -3 38.336 76.672 0.403 3.49 4 4.3 0.1
305 0 6 3 38.411 76.821 0.403 3.48 4 15.6 1.1
306 0 7 1 38.426 76.852 0.403 3.48 4 58.6 15.3
307 3 4 -5 38.429 76.858 0.403 3.48 4 16.2 1.2
308 1 7 -1 38.447 76.895 0.404 3.47 4 10.9 0.5
309 4 0 -6 38.454 76.908 0.404 3.47 2 21.6 1.0
310 3 6 1 38.458 76.915 0.404 3.47 4 26.0 3.0
311 5 3 -5 38.467 76.934 0.404 3.47 4 73.9 24.3
312 1 2 5 38.545 77.091 0.404 3.46 4 19.4 1.7
313 0 5 4 38.566 77.131 0.405 3.45 4 43.9 8.5
314 6 4 -1 38.57 77.139 0.405 3.45 4 30.0 4.0
315 3 6 -3 38.603 77.207 0.405 3.45 4 44.1 8.6
316 4 6 -1 38.607 77.215 0.405 3.45 4 28.0 3.5
317 2 6 2 38.641 77.283 0.405 3.44 4 86.0 32.6
318 2 1 -6 38.646 77.291 0.405 3.44 4 0.7 0.0
319 6 4 -3 38.715 77.431 0.406 3.43 4 15.3 1.0
320 5 5 -3 38.737 77.474 0.406 3.43 4 81.9 29.5
321 7 1 -4 38.772 77.544 0.406 3.42 4 6.7 0.2
322 6 2 1 38.857 77.713 0.407 3.41 4 2.7 0.0
323 4 6 -2 38.898 77.796 0.408 3.4 4 46.9 9.6
324 4 1 -6 38.902 77.804 0.408 3.4 4 11.6 0.6
325 4 5 -4 38.908 77.815 0.408 3.4 4 9.0 0.4
326 7 2 -1 39.134 78.268 0.41 3.37 4 5.0 0.1
327 1 4 -5 39.201 78.402 0.41 3.36 4 56.1 13.6
328 3 2 4 39.259 78.518 0.411 3.35 4 46.1 9.2
329 5 5 0 39.28 78.559 0.411 3.35 4 11.5 0.6
330 6 2 -5 39.292 78.585 0.411 3.35 4 17.0 1.2
331 1 7 1 39.39 78.779 0.412 3.33 4 66.4 18.9
332 2 7 -1 39.453 78.907 0.412 3.33 4 9.9 0.4
333 4 4 -5 39.52 79.041 0.413 3.32 4 70.3 21.0
334 1 0 -6 39.547 79.093 0.413 3.31 2 119.0 30.1
335 3 2 -6 39.621 79.243 0.414 3.3 4 11.6 0.6
336 2 7 0 39.67 79.34 0.414 3.3 4 12.8 0.7
337 5 3 2 39.732 79.465 0.415 3.29 4 11.9 0.6
338 4 6 0 39.765 79.53 0.415 3.28 4 24.2 2.5
339 4 3 3 39.866 79.732 0.416 3.27 4 17.7 1.3
340 7 0 0 39.915 79.829 0.417 3.27 2 30.5 2.0
341 2 2 -6 39.984 79.967 0.417 3.26 4 87.6 32.0
342 1 1 -6 39.991 79.982 0.417 3.26 4 10.6 0.5
343 5 0 -6 40.056 80.112 0.418 3.25 2 18.1 0.7
344 7 2 -4 40.109 80.217 0.418 3.24 4 11.2 0.5
345 1 7 -2 40.146 80.293 0.419 3.24 4 18.4 1.4
346 4 2 -6 40.238 80.475 0.419 3.23 4 57.8 13.8
347 7 3 -2 40.241 80.482 0.419 3.22 4 7.3 0.2
348 2 4 4 40.273 80.547 0.42 3.22 4 35.7 5.3
349 1 6 3 40.311 80.621 0.42 3.22 4 18.2 1.4
350 7 1 0 40.358 80.717 0.42 3.21 4 44.3 8.1
351 5 1 -6 40.499 80.998 0.422 3.19 4 0.2 0.0
352 7 3 -3 40.564 81.129 0.422 3.19 4 53.3 11.6
353 0 7 2 40.592 81.184 0.422 3.18 4 23.4 2.2
354 4 6 -3 40.628 81.255 0.423 3.18 4 17.7 1.3
355 6 4 0 40.662 81.323 0.423 3.18 4 47.3 9.1
356 2 7 -2 40.676 81.353 0.423 3.17 4 6.3 0.2
357 1 3 5 40.77 81.541 0.424 3.16 4 64.8 17.1
358 1 5 4 40.929 81.859 0.425 3.15 4 3.8 0.1
359 6 4 -4 40.949 81.898 0.425 3.14 4 35.5 5.1
360 2 1 5 41.022 82.045 0.426 3.14 4 27.6 3.1
361 0 4 5 41.049 82.099 0.426 3.13 4 4.0 0.1
362 6 3 1 41.077 82.155 0.427 3.13 4 13.0 0.7
363 1 2 -6 41.318 82.636 0.429 3.1 4 38.9 6.0
364 2 7 1 41.32 82.64 0.429 3.1 4 13.0 0.7
365 7 3 -1 41.351 82.702 0.429 3.1 4 104.1 43.1
366 3 7 -1 41.425 82.851 0.429 3.09 4 64.9 16.7
367 5 5 -4 41.435 82.87 0.43 3.09 4 15.0 0.9
368 3 3 4 41.475 82.949 0.43 3.09 4 20.5 1.7
369 4 5 2 41.495 82.989 0.43 3.09 4 21.7 1.9
370 6 3 -5 41.508 83.015 0.43 3.09 4 67.9 18.3
371 5 4 -5 41.576 83.151 0.431 3.08 4 5.7 0.1
372 2 6 -4 41.662 83.325 0.431 3.07 4 10.9 0.5
373 7 2 0 41.683 83.366 0.432 3.07 4 45.9 8.3
374 5 2 -6 41.823 83.645 0.433 3.05 4 73.7 21.3
375 3 3 -6 41.833 83.665 0.433 3.05 4 33.5 4.4
376 0 0 6 41.855 83.71 0.433 3.05 2 24.2 1.2
377 6 5 -2 41.915 83.83 0.434 3.05 4 58.1 13.2
378 7 1 -5 41.969 83.937 0.434 3.04 4 58.8 13.5
379 1 7 2 42.006 84.013 0.434 3.04 4 9.3 0.3
380 3 6 2 42.016 84.032 0.434 3.04 4 76.0 22.5
381 6 0 2 42.039 84.077 0.435 3.03 2 14.4 0.4
382 1 6 -4 42.063 84.126 0.435 3.03 4 7.8 0.2
383 3 7 0 42.103 84.205 0.435 3.03 4 14.9 0.9
384 5 1 3 42.105 84.21 0.435 3.03 4 107.3 44.7
385 3 5 3 42.132 84.264 0.435 3.03 4 55.3 11.8
386 3 7 -2 42.174 84.348 0.436 3.02 4 26.4 2.7
387 2 3 -6 42.191 84.381 0.436 3.02 4 47.5 8.7
388 3 6 -4 42.231 84.461 0.436 3.02 4 62.5 15.1
389 0 1 6 42.294 84.589 0.437 3.01 4 3.9 0.1
390 2 5 -5 42.313 84.626 0.437 3.01 4 62.8 15.2
391 7 3 -4 42.314 84.629 0.437 3.01 4 11.3 0.5
392 5 5 1 42.325 84.65 0.437 3.01 4 43.8 7.4
393 4 6 1 42.341 84.682 0.437 3.01 4 20.1 1.6
394 2 2 5 42.343 84.686 0.437 3.01 4 19.7 1.5
395 5 6 -2 42.352 84.704 0.437 3.01 4 14.4 0.8
396 3 5 -5 42.418 84.836 0.438 3.0 4 77.8 23.3
397 4 3 -6 42.442 84.884 0.438 3.0 4 24.5 2.3
398 6 1 2 42.478 84.956 0.438 3.0 4 15.9 1.0
399 5 6 -1 42.529 85.059 0.439 2.99 4 9.4 0.3
400 6 5 -1 42.555 85.111 0.439 2.99 4 32.9 4.1
401 6 0 -6 42.61 85.22 0.439 2.99 2 93.6 16.8
402 8 0 -2 42.626 85.251 0.44 2.98 2 100.7 19.4
403 6 5 -3 42.698 85.396 0.44 2.98 4 80.7 24.9
404 4 0 4 42.759 85.517 0.441 2.97 2 14.6 0.4
405 5 4 2 42.82 85.641 0.441 2.97 4 31.5 3.8
406 8 1 -3 42.922 85.844 0.442 2.96 4 28.6 3.1
407 4 4 3 42.952 85.904 0.442 2.96 4 12.0 0.5
408 6 1 -6 43.048 86.097 0.443 2.95 4 35.0 4.6
409 8 1 -2 43.064 86.128 0.443 2.95 4 39.4 5.9
410 2 6 3 43.156 86.312 0.444 2.94 4 18.2 1.3
411 1 5 -5 43.174 86.349 0.444 2.94 4 45.5 7.8
412 4 1 4 43.197 86.394 0.444 2.94 4 27.7 2.9
413 1 7 -3 43.251 86.502 0.445 2.94 4 54.8 11.3
414 7 2 -5 43.285 86.57 0.445 2.93 4 18.6 1.3
415 2 7 -3 43.314 86.627 0.445 2.93 4 68.3 17.5
416 7 4 -2 43.322 86.645 0.445 2.93 4 43.3 7.0
417 5 2 3 43.421 86.842 0.446 2.92 4 31.2 3.6
418 0 6 4 43.428 86.856 0.446 2.92 4 90.2 30.5
419 4 5 -5 43.488 86.976 0.447 2.92 4 24.3 2.2
420 1 3 -6 43.514 87.027 0.447 2.92 4 19.9 1.5
421 5 6 -3 43.595 87.19 0.448 2.91 4 40.9 6.2
422 0 2 6 43.61 87.219 0.448 2.91 4 20.4 1.6
423 7 4 -3 43.642 87.284 0.448 2.91 4 20.2 1.5
424 8 0 -4 43.762 87.524 0.449 2.9 2 64.1 7.6
425 4 6 -4 43.762 87.524 0.449 2.9 4 84.7 26.7
426 6 2 2 43.792 87.585 0.449 2.9 4 70.2 18.3
427 1 4 5 43.846 87.692 0.45 2.89 4 17.6 1.2
428 7 3 0 43.876 87.752 0.45 2.89 4 6.3 0.1
429 5 3 -6 44.015 88.03 0.451 2.88 4 2.6 0.0
430 5 6 0 44.127 88.253 0.452 2.88 4 82.8 25.3
431 6 4 1 44.15 88.3 0.452 2.88 4 43.7 7.0
432 0 7 3 44.152 88.304 0.452 2.88 4 38.7 5.5
433 3 7 1 44.198 88.395 0.453 2.87 4 73.1 19.7
434 8 1 -4 44.2 88.399 0.453 2.87 4 16.7 1.0
435 2 5 4 44.229 88.459 0.453 2.87 4 3.5 0.0
436 8 2 -3 44.236 88.471 0.453 2.87 4 57.4 12.1
437 7 1 1 44.311 88.622 0.453 2.87 4 33.0 4.0
438 0 8 0 44.333 88.666 0.454 2.86 2 12.8 0.3
439 3 7 -3 44.34 88.68 0.454 2.86 4 16.8 1.0
440 4 7 -1 44.344 88.688 0.454 2.86 4 43.8 7.0
441 6 2 -6 44.361 88.723 0.454 2.86 4 19.3 1.4
442 8 2 -2 44.377 88.754 0.454 2.86 4 13.2 0.6
443 2 7 2 44.377 88.754 0.454 2.86 4 8.7 0.3
444 7 4 -1 44.421 88.843 0.454 2.86 4 53.3 10.4
445 4 2 4 44.51 89.019 0.455 2.85 4 104.8 40.2
446 2 3 5 44.533 89.065 0.455 2.85 4 11.3 0.5
447 3 4 4 44.544 89.088 0.455 2.85 4 23.6 2.0
448 6 4 -5 44.577 89.153 0.456 2.85 4 54.2 10.8
449 6 5 0 44.613 89.226 0.456 2.85 4 22.1 1.8
450 8 1 -1 44.624 89.248 0.456 2.85 4 49.8 9.1
451 4 7 -2 44.627 89.255 0.456 2.85 4 5.4 0.1
452 1 8 0 44.814 89.629 0.458 2.84 4 53.1 10.2
453 6 5 -4 44.897 89.795 0.458 2.83 4 5.5 0.1
454 3 4 -6 44.899 89.799 0.458 2.83 4 40.6 6.0
455 0 5 5 44.997 89.994 0.459 2.83 4 12.6 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 1 0 0 5.259 10.519 8.40332 1593.2 100.0 100.0 5.6
2 1 1 0 7.274 14.549 6.08336 208.8 13.1 13.1 5.6
3 0 1 1 8.13 16.259 5.44701 34.9 2.2 2.2 5.6
4 1 1 -1 8.204 16.408 5.39807 1092.8 68.6 68.4 5.6
5 0 2 0 10.062 20.123 4.409 193.8 12.2 12.1 5.6
6 2 0 0 10.564 21.127 4.20166 62.8 3.9 3.9 5.6
7 1 1 1 11.005 22.009 4.03526 839.7 52.7 52.3 5.6
8 2 1 -1 11.17 22.341 3.97608 172.1 10.8 10.7 5.6
9 1 2 0 11.379 22.757 3.90424 169.7 10.7 10.6 5.6
10 2 1 0 11.717 23.434 3.79308 27.7 1.7 1.7 5.6
11 0 2 1 11.952 23.905 3.7194 56.2 3.5 3.5 5.6
12 1 2 -1 12.004 24.007 3.70371 73.6 4.6 4.6 5.6
13 1 1 -2 12.845 25.691 3.46476 174.1 10.9 10.8 5.6
14 2 0 -2 13.042 26.084 3.41334 953.2 59.8 59.2 5.6
15 0 1 2 13.825 27.65 3.22354 25.3 1.6 1.6 5.6
16 1 2 1 14.098 28.196 3.16237 259.6 16.3 16.1 5.6
17 2 2 -1 14.23 28.459 3.13364 34.8 2.2 2.2 5.6
18 2 2 0 14.669 29.339 3.04168 88.6 5.6 5.5 5.6
19 2 1 1 15.306 30.612 2.918 890.5 55.9 55.1 5.6
20 3 1 -1 15.51 31.019 2.8806 48.1 3.0 3.0 5.6
21 3 0 0 15.962 31.923 2.80111 53.8 3.4 3.3 5.6
22 3 0 -2 16.095 32.191 2.77841 447.1 28.1 27.6 5.6
23 0 2 2 16.429 32.858 2.7235 181.4 11.4 11.2 5.6
24 0 3 1 16.54 33.079 2.70578 36.4 2.3 2.2 5.6
25 1 3 -1 16.578 33.156 2.69972 868.4 54.5 53.6 5.6
26 2 2 1 17.714 35.427 2.53165 35.2 2.2 2.2 5.7
27 3 2 -1 17.893 35.786 2.5071 22.8 1.4 1.4 5.7
28 1 3 1 18.193 36.386 2.46709 43.8 2.8 2.7 5.7
29 2 3 -1 18.298 36.597 2.45338 173.0 10.9 10.7 5.7
30 1 1 -3 18.741 37.481 2.3975 163.5 10.3 10.1 5.7
31 1 2 2 18.858 37.715 2.38317 97.2 6.1 6.0 5.7
32 3 2 0 19.014 38.028 2.36431 35.7 2.2 2.2 5.7
33 1 3 -2 19.413 38.825 2.31753 42.0 2.6 2.6 5.7
34 2 0 2 19.844 39.687 2.26916 58.5 3.7 3.6 5.7
35 0 1 3 20.174 40.348 2.23354 66.7 4.2 4.1 5.7
36 3 1 1 20.244 40.489 2.22609 98.9 6.2 6.1 5.7
37 3 1 -3 20.462 40.925 2.20338 363.0 22.8 22.3 5.7
38 2 1 2 20.519 41.038 2.19757 37.5 2.4 2.3 5.7
39 1 4 0 21.176 42.352 2.13235 61.1 3.8 3.7 5.7
40 4 0 0 21.509 43.019 2.10083 55.1 3.5 3.4 5.7
41 4 1 0 22.143 44.286 2.04363 36.2 2.3 2.2 5.7
42 3 2 1 22.189 44.377 2.03964 44.7 2.8 2.7 5.7
43 4 2 -1 22.397 44.793 2.02165 22.7 1.4 1.4 5.7
44 2 2 2 22.444 44.887 2.01763 31.4 2.0 1.9 5.7
45 4 2 -2 22.796 45.593 1.98804 80.1 5.0 4.9 5.7
46 1 4 1 22.858 45.717 1.98294 32.7 2.1 2.0 5.7
47 1 1 3 22.903 45.805 1.9793 19.7 1.2 1.2 5.7
48 2 4 0 23.24 46.48 1.95212 78.9 5.0 4.8 5.7
49 4 1 -3 23.336 46.672 1.94454 100.2 6.3 6.1 5.7
50 4 2 0 23.963 47.927 1.89654 58.8 3.7 3.6 5.7
51 2 3 -3 23.994 47.989 1.89423 35.0 2.2 2.1 5.7
52 0 4 2 24.469 48.937 1.8597 72.6 4.6 4.4 5.7
53 3 0 2 24.602 49.204 1.85024 219.7 13.8 13.4 5.7
54 3 3 1 25.162 50.324 1.81166 74.2 4.7 4.5 5.8
55 1 1 -4 25.235 50.47 1.80678 44.1 2.8 2.7 5.8
56 3 3 -3 25.346 50.692 1.79936 168.7 10.6 10.2 5.8
57 2 3 2 25.394 50.788 1.79619 46.3 2.9 2.8 5.8
58 5 1 -1 25.832 51.664 1.76778 93.9 5.9 5.7 5.8
59 1 4 2 26.28 52.56 1.73972 87.1 5.5 5.3 5.8
60 2 2 -4 26.4 52.8 1.73238 295.3 18.5 17.9 5.8
61 3 4 -2 26.49 52.98 1.72694 40.5 2.5 2.4 5.8
62 2 1 3 26.62 53.241 1.71908 30.0 1.9 1.8 5.8
63 0 5 1 26.789 53.577 1.70907 68.8 4.3 4.2 5.8
64 4 0 -4 26.829 53.659 1.70667 104.2 6.5 6.3 5.8
65 1 2 -4 26.896 53.793 1.70273 29.0 1.8 1.7 5.8
66 5 2 -2 27.251 54.503 1.68222 59.7 3.7 3.6 5.8
67 4 1 -4 27.368 54.737 1.67558 37.3 2.3 2.2 5.8
68 1 3 3 27.45 54.9 1.67099 78.1 4.9 4.7 5.8
69 4 3 -3 27.831 55.662 1.64991 148.2 9.3 8.9 5.8
70 1 5 1 27.942 55.885 1.64384 61.2 3.8 3.7 5.8
71 2 5 0 28.273 56.547 1.62616 20.6 1.3 1.2 5.8
72 0 2 4 28.549 57.098 1.61177 17.1 1.1 1.0 5.8
73 3 4 1 28.943 57.885 1.59171 31.7 2.0 1.9 5.8
74 2 4 2 29.154 58.307 1.58118 44.3 2.8 2.7 5.8
75 1 0 4 29.228 58.457 1.5775 37.3 2.3 2.2 5.8
76 0 5 2 29.35 58.699 1.57156 16.8 1.1 1.0 5.8
77 4 4 -2 29.447 58.894 1.56682 46.8 2.9 2.8 5.8
78 3 3 -4 29.716 59.431 1.55394 22.9 1.4 1.4 5.8
79 5 0 -4 29.812 59.625 1.54935 83.0 5.2 5.0 5.8
80 4 3 1 29.843 59.686 1.54791 81.2 5.1 4.9 5.8
81 4 0 2 29.881 59.763 1.54611 70.8 4.4 4.2 5.8
82 5 3 -1 30.06 60.12 1.53777 19.6 1.2 1.2 5.8
83 2 5 1 30.186 60.372 1.53195 47.5 3.0 2.8 5.8
84 3 5 -1 30.306 60.612 1.52647 62.5 3.9 3.7 5.8
85 6 0 -2 30.362 60.724 1.52391 51.5 3.2 3.1 5.8
86 4 4 0 30.43 60.86 1.52084 41.3 2.6 2.5 5.8
87 2 3 3 30.776 61.552 1.50539 80.0 5.0 4.8 5.8
88 1 5 2 30.964 61.928 1.49714 17.0 1.1 1.0 5.8
89 3 1 3 31.106 62.212 1.49099 18.7 1.2 1.1 5.8
90 5 1 1 31.322 62.644 1.48173 35.9 2.3 2.1 5.8
91 3 1 -5 31.426 62.853 1.47732 78.7 4.9 4.7 5.9
92 0 6 0 31.609 63.218 1.46967 24.9 1.6 1.5 5.9
93 4 2 2 31.867 63.734 1.459 38.0 2.4 2.3 5.9
94 1 6 0 32.146 64.291 1.44769 25.7 1.6 1.5 5.9
95 1 1 -5 32.268 64.535 1.44281 26.7 1.7 1.6 5.9
96 1 5 -3 32.352 64.705 1.43944 75.7 4.8 4.5 5.9
97 2 4 -4 32.537 65.073 1.43218 47.9 3.0 2.8 5.9
98 4 1 -5 32.613 65.227 1.42918 19.5 1.2 1.2 5.9
99 1 4 -4 32.974 65.948 1.41529 58.3 3.7 3.5 5.9
100 3 4 -4 33.156 66.313 1.40838 16.6 1.0 1.0 5.9
101 6 2 -3 33.187 66.375 1.40722 16.4 1.0 1.0 5.9
102 5 4 -2 33.288 66.576 1.40345 66.8 4.2 4.0 5.9
103 6 0 0 33.366 66.732 1.40055 111.2 7.0 6.6 5.9
104 2 6 -1 33.498 66.996 1.39567 18.6 1.2 1.1 5.9
105 4 5 -1 33.549 67.097 1.39381 44.3 2.8 2.6 5.9
106 4 5 -2 33.856 67.712 1.38265 25.3 1.6 1.5 5.9
107 2 4 3 34.156 68.313 1.37194 16.0 1.0 0.9 5.9
108 0 1 5 34.254 68.508 1.36851 50.3 3.2 3.0 5.9
109 4 5 0 34.769 69.537 1.35074 63.2 4.0 3.7 5.9
110 4 4 -4 34.805 69.61 1.34952 22.5 1.4 1.3 5.9
111 3 3 3 34.936 69.872 1.34509 32.3 2.0 1.9 5.9
112 5 3 1 35.14 70.28 1.33827 34.2 2.1 2.0 5.9
113 6 3 -1 35.384 70.767 1.33025 30.1 1.9 1.8 5.9
114 1 3 -5 36.035 72.069 1.30939 48.5 3.0 2.8 5.9
115 5 1 2 36.123 72.246 1.30662 19.2 1.2 1.1 5.9
116 3 6 -2 36.365 72.73 1.29912 27.2 1.7 1.6 6.0
117 7 1 -3 36.98 73.96 1.28052 50.1 3.1 2.9 6.0
118 1 5 -4 37.161 74.323 1.27517 28.7 1.8 1.7 6.0
119 4 4 2 37.483 74.965 1.26582 31.7 2.0 1.9 6.0
120 5 5 -1 37.643 75.285 1.26123 22.4 1.4 1.3 6.0
121 7 1 -1 37.787 75.575 1.25712 18.0 1.1 1.0 6.0
122 0 3 5 37.93 75.86 1.2531 118.5 7.4 6.9 6.0
123 2 0 -6 38.197 76.393 1.24568 19.0 1.2 1.1 6.0
124 3 4 -5 38.429 76.858 1.2393 17.6 1.1 1.0 6.0
125 5 3 -5 38.467 76.934 1.23827 28.4 1.8 1.6 6.0
126 2 6 2 38.641 77.283 1.23355 32.6 2.0 1.9 6.0
127 5 5 -3 38.737 77.474 1.23098 30.5 1.9 1.8 6.0
128 1 7 1 39.39 78.779 1.21382 18.9 1.2 1.1 6.0
129 1 0 -6 39.547 79.093 1.20979 51.1 3.2 3.0 6.0
130 2 2 -6 39.984 79.967 1.19875 32.5 2.0 1.9 6.0
131 1 3 5 40.77 81.541 1.17955 17.1 1.1 1.0 6.1
132 7 3 -1 41.351 82.702 1.1659 43.1 2.7 2.5 6.1
133 3 7 -1 41.425 82.851 1.16419 17.6 1.1 1.0 6.1
134 6 3 -5 41.508 83.015 1.1623 21.8 1.4 1.2 6.1
135 5 2 -6 41.823 83.645 1.15514 25.7 1.6 1.5 6.1
136 3 6 2 42.016 84.032 1.1508 22.9 1.4 1.3 6.1
137 5 1 3 42.105 84.21 1.14882 56.5 3.5 3.2 6.1
138 2 5 -5 42.313 84.626 1.14424 26.2 1.6 1.5 6.1
139 3 5 -5 42.418 84.836 1.14195 25.6 1.6 1.5 6.1
140 8 0 -2 42.626 85.251 1.13744 36.2 2.3 2.1 6.1
141 6 5 -3 42.698 85.396 1.13588 24.9 1.6 1.4 6.1
142 2 7 -3 43.314 86.627 1.12287 25.9 1.6 1.5 6.1
143 0 6 4 43.428 86.856 1.1205 34.2 2.1 1.9 6.1
144 6 2 2 43.792 87.585 1.11305 52.7 3.3 3.0 6.2
145 5 6 0 44.127 88.253 1.10633 37.9 2.4 2.1 6.2
146 3 7 1 44.198 88.395 1.10492 20.7 1.3 1.2 6.2
147 4 2 4 44.51 89.019 1.09878 40.7 2.6 2.3 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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