Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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ZOISITE
11, t-zoisite, syn
[Ca(1.24)Sr(0.76)]Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
30 .1 .13
Ref.Str.:
Dorsam G., Liebscher A., Franz G., Gottschalk M. (2007)
* Amer. Mineral., 92, 1133-1147
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.253 alpha = 90.0
b = 5.563 beta = 90.0
c = 10.1196 gamma = 90.0
Unit cell volume (cub. angs.) = 914.97
Molar volume ( cub.cm/mol.) = 137.78
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3668 0.25 0.439 0.0 Ca = 0.91, Sr = 0.09
2 0.4554 0.25 0.112 0.0 Ca = 0.33, Sr = 0.67
3 0.25 0.996 0.185 0.0 Al = 1.00
4 0.107 0.75 0.293 0.0 Al = 1.00
5 0.082 0.25 0.1 0.0 Si = 1.00
6 0.411 0.75 0.277 0.0 Si = 1.00
7 0.159 0.25 0.429 0.0 Si = 1.00
8 0.13 0.002 0.148 0.0 O = 1.00
9 0.105 0.024 0.42 0.0 O = 1.00
10 0.364 0.987 0.244 0.0 O = 1.00
11 0.225 0.75 0.298 0.0 O = 1.00
12 0.228 0.25 0.314 0.0 O = 1.00
13 0.272 0.75 0.07 0.0 O = 1.00
14 0.992 0.25 0.153 0.0 O = 1.00
15 0.002 0.75 0.291 0.0 O = 1.00
16 0.417 0.75 0.434 0.0 O = 1.00
17 0.265 0.25 0.075 0.0 O = 1.00
18 0.26 0.25 0.95 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3668 0.25 0.439
2 2 0.4554 0.25 0.112
3 3 0.25 0.996 0.185
4 4 0.107 0.75 0.293
5 5 0.082 0.25 0.1
6 6 0.411 0.75 0.277
7 7 0.159 0.25 0.429
8 8 0.13 0.002 0.148
9 9 0.105 0.024 0.42
10 10 0.364 0.987 0.244
11 11 0.225 0.75 0.298
12 12 0.228 0.25 0.314
13 13 0.272 0.75 0.07
14 14 0.992 0.25 0.153
15 15 0.002 0.75 0.291
16 16 0.417 0.75 0.434
17 17 0.265 0.25 0.075
18 18 0.26 0.25 0.95
19 1 0.1332 0.75 0.939
20 2 0.0446 0.75 0.612
21 3 0.25 0.004 0.685
22 4 0.393 0.25 0.793
23 5 0.418 0.75 0.6
24 6 0.089 0.25 0.777
25 7 0.341 0.75 0.929
26 8 0.37 0.998 0.648
27 9 0.395 0.976 0.92
28 10 0.136 0.013 0.744
29 11 0.275 0.25 0.798
30 12 0.272 0.75 0.814
31 13 0.228 0.25 0.57
32 14 0.508 0.75 0.653
33 15 0.498 0.25 0.791
34 16 0.083 0.25 0.934
35 17 0.235 0.75 0.575
36 18 0.24 0.75 0.45
37 3 0.25 0.496 0.685
38 8 0.37 0.502 0.648
39 9 0.395 0.524 0.92
40 10 0.136 0.487 0.744
41 3 0.25 0.504 0.185
42 8 0.13 0.498 0.148
43 9 0.105 0.476 0.42
44 10 0.364 0.513 0.244
45 1 0.8668 0.25 0.061
46 2 0.9554 0.25 0.388
47 3 0.75 0.996 0.315
48 4 0.607 0.75 0.207
49 5 0.582 0.25 0.4
50 6 0.911 0.75 0.223
51 7 0.659 0.25 0.071
52 8 0.63 0.002 0.352
53 9 0.605 0.024 0.08
54 10 0.864 0.987 0.256
55 11 0.725 0.75 0.202
56 12 0.728 0.25 0.186
57 13 0.772 0.75 0.43
58 14 0.492 0.25 0.347
59 15 0.502 0.75 0.209
60 16 0.917 0.75 0.066
61 17 0.765 0.25 0.425
62 18 0.76 0.25 0.55
63 1 0.6332 0.75 0.561
64 2 0.5446 0.75 0.888
65 3 0.75 0.004 0.815
66 4 0.893 0.25 0.707
67 5 0.918 0.75 0.9
68 6 0.589 0.25 0.723
69 7 0.841 0.75 0.571
70 8 0.87 0.998 0.852
71 9 0.895 0.976 0.58
72 10 0.636 0.013 0.756
73 11 0.775 0.25 0.702
74 12 0.772 0.75 0.686
75 13 0.728 0.25 0.93
76 14 0.008 0.75 0.847
77 15 0.998 0.25 0.709
78 16 0.583 0.25 0.566
79 17 0.735 0.75 0.925
80 18 0.74 0.75 0.05
81 3 0.75 0.496 0.815
82 8 0.87 0.502 0.852
83 9 0.895 0.524 0.58
84 10 0.636 0.487 0.756
85 3 0.75 0.504 0.315
86 8 0.63 0.498 0.352
87 9 0.605 0.476 0.08
88 10 0.864 0.513 0.256
X-ray density (g/cm cub.) = 3.56
MU (1/cm) = 201.8 Mass attenuation coefficient (cm**2/g) = 56.693
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Sr 3.072 9
2.457 10
2.5864 12
2.8991 16
2.8991 16
2.5379 8
2.6166 13
2.5379 8
2.457 10
2.2377 14
2 Ca ,Sr 3.072 9
2.4762 10
2.6575 9
2.6575 9
2.4762 10
2.7563 9
2.4514 14
3.0453 15
3.0453 15
2.7563 9
3 Al 2.316 6
1.9863 8
1.9473 10
1.8291 11
1.9567 12
1.8317 13
1.8152 17
4 Al 2.316 6
2.0635 8
1.994 9
1.9185 11
1.7067 15
2.0635 8
1.994 9
5 Si 2.1 4
1.6577 8
1.558 14
1.6799 16
1.6577 8
6 Si 2.1 4
1.5599 10
1.5918 16
1.5599 10
1.6313 15
7 Si 2.1 4
1.536 9
1.6162 12
1.8148 13
1.536 9
8 O 3.264 10
2.7851 9
2.5794 11
2.6949 12
2.8133 13
2.6337 14
2.8961 15
2.6951 17
2.6789 16
2.7592 8
2.8038 8
9 O 3.264 8
2.7851 8
2.7661 11
2.5938 12
2.6134 15
2.8074 13
3.0411 17
2.5145 9
3.0485 9
10 O 3.264 9
2.6722 11
2.7438 12
2.6598 13
2.4854 16
2.7667 17
2.9261 10
2.6369 10
2.7486 14
2.6257 15
11 O 3.264 10
2.5794 8
2.7661 9
2.6722 10
2.7866 12
2.7866 12
2.4304 13
2.8078 17
2.5794 8
2.7661 9
2.6722 10
12 O 3.264 10
2.6949 8
2.5938 9
2.7438 10
2.7866 11
2.7866 11
2.4922 17
2.5906 13
2.6949 8
2.5938 9
2.7438 10
13 O 3.264 10
2.8133 8
2.6598 10
2.4304 11
2.7843 17
2.7843 17
2.8074 9
2.5906 12
2.8074 9
2.8133 8
2.6598 10
14 O 3.264 9
2.6337 8
3.1166 15
3.1166 15
2.6644 16
2.6337 8
2.7486 10
3.1619 16
3.1619 16
2.7486 10
15 O 3.264 9
2.8961 8
2.6134 9
3.1166 14
3.1166 14
2.8961 8
2.6134 9
2.6257 10
2.6632 16
2.6257 10
16 O 3.264 8
2.4854 10
2.6789 8
2.6644 14
2.6789 8
2.4854 10
3.1619 14
3.1619 14
2.6632 15
17 O 3.264 10
2.6951 8
2.7667 10
2.4922 12
2.7843 13
2.7843 13
3.0411 9
2.8078 11
3.0411 9
2.6951 8
2.7667 10
18 H 1.632 2
1.2676 17
1.5574 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 1 5.144 10.289 0.058 245.78 4 23.3 63.9
2 2 0 0 5.439 10.878 0.062 219.63 2 7.8 3.2
3 2 0 1 6.982 13.965 0.079 132.37 4 9.8 6.0
4 0 0 2 8.756 17.513 0.099 83.36 2 93.7 174.8
5 0 1 1 9.091 18.183 0.103 77.18 4 40.9 61.7
6 1 0 2 9.174 18.349 0.103 75.74 4 33.8 41.5
7 3 0 1 9.281 18.562 0.105 73.97 4 34.4 41.8
8 1 1 1 9.495 18.99 0.107 70.57 8 26.7 48.1
9 2 1 0 9.66 19.32 0.109 68.11 4 13.5 5.9
10 2 0 2 10.331 20.662 0.116 59.28 4 33.7 32.2
11 2 1 1 10.618 21.236 0.12 56.0 8 28.4 43.1
12 4 0 0 10.928 21.856 0.123 52.75 2 75.3 71.5
13 4 0 1 11.788 23.575 0.133 45.04 4 75.5 122.6
14 3 0 2 12.023 24.046 0.135 43.21 4 45.6 42.9
15 1 1 2 12.191 24.382 0.137 41.97 8 29.6 35.1
16 3 1 1 12.272 24.545 0.138 41.39 8 86.9 298.5
17 2 1 2 13.095 26.19 0.147 36.11 8 6.1 1.3
18 1 0 3 13.487 26.973 0.151 33.92 4 32.6 17.2
19 4 1 0 13.577 27.154 0.152 33.45 4 42.0 28.2
20 4 0 2 14.071 28.143 0.158 31.0 4 66.3 65.2
21 4 1 1 14.287 28.575 0.16 30.01 8 41.6 49.6
22 2 0 3 14.314 28.629 0.16 29.89 4 46.2 30.4
23 5 0 1 14.412 28.824 0.162 29.46 4 104.8 154.7
24 3 1 2 14.485 28.97 0.162 29.14 8 44.4 54.9
25 0 1 3 15.489 30.978 0.173 25.25 4 311.3 1168.7
26 3 0 3 15.605 31.209 0.175 24.84 4 23.7 6.7
27 1 1 3 15.737 31.474 0.176 24.4 8 68.4 109.2
28 0 2 0 16.077 32.154 0.18 23.3 2 282.9 445.4
29 4 1 2 16.248 32.496 0.182 22.77 8 14.9 4.8
30 5 0 2 16.359 32.718 0.183 22.44 4 203.7 444.7
31 2 1 3 16.462 32.924 0.184 22.13 8 99.9 210.9
32 6 0 0 16.521 33.041 0.185 21.96 2 184.1 177.9
33 5 1 1 16.548 33.095 0.185 21.89 8 192.3 773.7
34 1 2 1 16.923 33.846 0.189 20.85 8 5.3 0.6
35 2 2 0 17.02 34.04 0.19 20.59 4 148.7 217.4
36 6 0 1 17.12 34.24 0.191 20.33 4 58.4 33.1
37 4 0 3 17.265 34.529 0.193 19.96 4 25.3 6.1
38 2 2 1 17.604 35.208 0.196 19.13 8 35.9 23.6
39 3 1 3 17.61 35.221 0.196 19.11 8 106.6 207.6
40 0 0 4 17.726 35.453 0.198 18.84 2 111.6 56.0
41 1 0 4 17.947 35.894 0.2 18.34 4 74.9 49.1
42 5 1 2 18.291 36.583 0.204 17.59 8 32.5 17.7
43 0 2 2 18.422 36.844 0.205 17.31 4 97.4 78.5
44 6 1 0 18.438 36.876 0.205 17.28 4 40.1 13.3
45 2 0 4 18.595 37.191 0.207 16.96 4 81.0 53.1
46 1 2 2 18.636 37.271 0.207 16.88 8 101.7 166.8
47 3 2 1 18.691 37.382 0.208 16.77 8 25.8 10.6
48 6 0 2 18.817 37.634 0.209 16.52 4 51.4 20.8
49 6 1 1 18.984 37.969 0.211 16.2 8 53.5 44.3
50 4 1 3 19.117 38.234 0.213 15.96 8 78.6 94.2
51 5 0 3 19.213 38.427 0.214 15.78 4 28.0 5.9
52 2 2 2 19.264 38.528 0.214 15.69 8 95.6 137.1
53 4 2 0 19.609 39.218 0.218 15.08 4 35.5 9.1
54 3 0 4 19.635 39.271 0.218 15.04 4 18.0 2.3
55 1 1 4 19.744 39.488 0.219 14.86 8 48.3 33.2
56 7 0 1 19.9 39.799 0.221 14.6 4 74.8 39.0
57 4 2 1 20.128 40.257 0.223 14.23 8 98.0 130.5
58 3 2 2 20.275 40.55 0.225 14.0 8 79.1 83.7
59 2 1 4 20.344 40.687 0.226 13.9 8 19.4 5.0
60 6 1 2 20.549 41.098 0.228 13.59 8 14.3 2.7
61 5 1 3 20.918 41.836 0.232 13.06 8 12.1 1.8
62 4 0 4 21.018 42.036 0.233 12.92 4 55.8 19.2
63 1 2 3 21.226 42.452 0.235 12.64 8 82.0 81.3
64 3 1 4 21.312 42.623 0.236 12.53 8 51.0 31.2
65 6 0 3 21.389 42.778 0.237 12.42 4 146.7 127.8
66 7 0 2 21.408 42.817 0.237 12.4 4 47.4 13.3
67 7 1 1 21.559 43.118 0.239 12.21 8 28.8 9.7
68 4 2 2 21.624 43.248 0.239 12.12 8 23.4 6.3
69 2 2 3 21.792 43.584 0.241 11.91 8 149.1 253.0
70 5 2 1 21.86 43.72 0.242 11.83 8 129.5 189.6
71 8 0 0 22.281 44.561 0.246 11.33 2 214.1 124.1
72 1 0 5 22.552 45.105 0.249 11.03 4 36.1 6.9
73 4 1 4 22.61 45.221 0.25 10.96 8 76.5 61.3
74 5 0 4 22.694 45.389 0.25 10.87 4 136.3 96.5
75 3 2 3 22.71 45.42 0.251 10.86 8 30.5 9.7
76 8 0 1 22.75 45.5 0.251 10.81 4 94.9 46.5
77 6 1 3 22.961 45.921 0.253 10.59 8 10.2 1.0
78 7 1 2 22.979 45.958 0.253 10.57 8 65.5 43.3
79 2 0 5 23.092 46.185 0.255 10.45 4 99.2 49.1
80 5 2 2 23.265 46.531 0.256 10.28 8 138.5 188.3
81 6 2 0 23.386 46.772 0.258 10.16 4 15.7 1.2
82 7 0 3 23.75 47.5 0.261 9.81 4 36.4 6.2
83 8 1 0 23.806 47.612 0.262 9.76 4 125.5 73.4
84 6 2 1 23.838 47.677 0.262 9.73 8 36.8 12.6
85 0 1 5 23.891 47.781 0.263 9.68 4 34.1 5.4
86 4 2 3 23.949 47.898 0.263 9.63 8 36.5 12.3
87 3 0 5 23.971 47.943 0.264 9.61 4 46.5 9.9
88 1 1 5 24.064 48.128 0.265 9.52 8 23.0 4.8
89 8 0 2 24.115 48.23 0.265 9.48 4 92.8 39.0
90 5 1 4 24.199 48.399 0.266 9.4 8 55.2 27.4
91 8 1 1 24.252 48.504 0.267 9.35 8 40.0 14.3
92 0 2 4 24.304 48.607 0.267 9.31 4 69.4 21.4
93 1 2 4 24.475 48.95 0.269 9.16 8 143.3 179.7
94 2 1 5 24.578 49.157 0.27 9.07 8 75.6 49.5
95 6 0 4 24.621 49.241 0.27 9.04 4 19.0 1.6
96 0 3 1 24.981 49.961 0.274 8.75 4 40.7 6.9
97 2 2 4 24.983 49.966 0.274 8.74 8 66.7 37.1
98 1 3 1 25.148 50.297 0.276 8.61 8 6.5 0.3
99 6 2 2 25.158 50.316 0.276 8.61 8 20.0 3.3
100 4 0 5 25.163 50.325 0.276 8.6 4 33.3 4.6
101 7 1 3 25.207 50.413 0.276 8.57 8 0.9 0.0
102 2 3 0 25.219 50.437 0.277 8.56 4 52.0 11.0
103 3 1 5 25.418 50.837 0.279 8.41 8 27.3 6.0
104 5 2 3 25.474 50.948 0.279 8.36 8 17.5 2.5
105 8 1 2 25.556 51.112 0.28 8.3 8 20.2 3.2
106 2 3 1 25.646 51.293 0.281 8.24 8 14.0 1.5
107 9 0 1 25.676 51.351 0.281 8.22 4 35.6 5.0
108 3 2 4 25.813 51.626 0.283 8.12 8 47.5 17.5
109 7 2 1 26.027 52.054 0.285 7.97 8 23.6 4.2
110 6 1 4 26.041 52.082 0.285 7.96 8 87.7 58.4
111 8 0 3 26.27 52.54 0.287 7.8 4 38.5 5.5
112 1 3 2 26.42 52.839 0.289 7.7 8 15.8 1.8
113 3 3 1 26.462 52.924 0.289 7.67 8 80.0 46.9
114 4 1 5 26.562 53.124 0.29 7.6 8 82.8 49.8
115 5 0 5 26.637 53.273 0.291 7.56 4 23.5 2.0
116 7 0 4 26.762 53.525 0.292 7.48 4 55.5 11.0
117 2 3 2 26.901 53.802 0.294 7.39 8 5.4 0.2
118 9 0 2 26.929 53.859 0.294 7.37 4 84.1 24.9
119 4 2 4 26.945 53.89 0.294 7.36 8 59.8 25.1
120 9 1 1 27.056 54.112 0.295 7.29 8 71.1 35.2
121 4 3 0 27.168 54.337 0.296 7.22 4 43.8 6.6
122 0 0 6 27.175 54.349 0.296 7.22 2 153.9 40.8
123 6 2 3 27.253 54.507 0.297 7.17 8 6.8 0.3
124 7 2 2 27.269 54.539 0.297 7.16 8 117.3 94.2
125 1 0 6 27.333 54.666 0.298 7.13 4 99.8 33.9
126 4 3 1 27.575 55.15 0.3 6.98 8 39.1 10.2
127 8 1 3 27.63 55.259 0.301 6.95 8 17.4 2.0
128 3 3 2 27.691 55.381 0.302 6.92 8 45.1 13.4
129 2 0 6 27.803 55.607 0.303 6.85 4 72.3 17.1
130 5 1 5 27.984 55.968 0.305 6.75 8 136.0 119.4
131 8 2 0 28.003 56.005 0.305 6.74 4 99.5 31.9
132 7 1 4 28.106 56.211 0.306 6.69 8 13.4 1.1
133 1 2 5 28.233 56.466 0.307 6.62 8 3.9 0.1
134 9 1 2 28.267 56.535 0.307 6.6 8 130.8 107.9
135 10 0 0 28.29 56.58 0.308 6.59 2 105.9 17.7
136 0 3 3 28.296 56.591 0.308 6.59 4 215.3 145.8
137 5 2 4 28.354 56.708 0.308 6.56 8 198.5 246.9
138 6 0 5 28.365 56.73 0.308 6.55 4 101.3 32.1
139 8 2 1 28.401 56.802 0.309 6.53 8 36.2 8.2
140 1 3 3 28.45 56.899 0.309 6.51 8 61.3 23.4
141 3 0 6 28.576 57.152 0.31 6.44 4 206.1 130.7
142 1 1 6 28.658 57.316 0.311 6.4 8 72.7 32.3
143 10 0 1 28.686 57.371 0.312 6.39 4 3.1 0.0
144 2 2 5 28.694 57.387 0.312 6.38 8 6.0 0.2
145 4 3 2 28.771 57.543 0.312 6.34 8 22.1 3.0
146 2 3 3 28.908 57.816 0.314 6.28 8 79.0 37.4
147 9 0 3 28.935 57.87 0.314 6.26 4 0.9 0.0
148 5 3 1 28.963 57.927 0.314 6.25 8 153.6 140.9
149 8 0 4 29.095 58.191 0.316 6.18 4 53.6 8.5
150 2 1 6 29.114 58.229 0.316 6.18 8 30.4 5.5
151 7 2 3 29.26 58.519 0.317 6.11 8 13.5 1.1
152 3 2 5 29.451 58.903 0.319 6.02 8 50.0 14.4
153 8 2 2 29.576 59.152 0.32 5.96 8 56.1 18.0
154 10 1 0 29.587 59.174 0.32 5.96 4 171.3 83.5
155 4 0 6 29.636 59.272 0.321 5.93 4 145.0 59.6
156 6 1 5 29.66 59.32 0.321 5.92 8 64.8 23.8
157 3 3 3 29.662 59.325 0.321 5.92 8 81.0 37.1
158 10 0 2 29.853 59.707 0.323 5.84 4 29.9 2.5
159 3 1 6 29.865 59.731 0.323 5.83 8 23.9 3.2
160 10 1 1 29.972 59.944 0.324 5.79 8 121.7 81.8
161 6 2 4 30.017 60.033 0.325 5.77 8 24.2 3.2
162 5 3 2 30.124 60.249 0.326 5.72 8 48.0 12.6
163 9 1 3 30.215 60.429 0.327 5.68 8 10.9 0.6
164 6 3 0 30.225 60.451 0.327 5.68 4 8.7 0.2
165 7 0 5 30.324 60.647 0.328 5.64 4 22.3 1.3
166 8 1 4 30.371 60.742 0.328 5.62 8 73.7 29.2
167 4 2 5 30.492 60.984 0.329 5.57 8 12.5 0.8
168 6 3 1 30.605 61.211 0.33 5.52 8 48.6 12.5
169 4 3 3 30.699 61.398 0.331 5.48 8 45.0 10.6
170 4 1 6 30.898 61.796 0.333 5.41 8 5.0 0.1
171 9 2 1 30.945 61.89 0.334 5.39 8 68.1 23.9
172 5 0 6 30.966 61.931 0.334 5.38 4 0.4 0.0
173 10 1 2 31.11 62.22 0.335 5.33 8 26.9 3.7
174 1 3 4 31.145 62.29 0.336 5.31 8 19.8 2.0
175 8 2 3 31.473 62.946 0.339 5.19 8 25.7 3.3
176 7 1 5 31.569 63.138 0.34 5.16 8 87.9 38.1
177 2 3 4 31.579 63.159 0.34 5.15 8 15.3 1.2
178 9 0 4 31.605 63.21 0.34 5.14 4 120.1 35.5
179 6 3 2 31.73 63.46 0.341 5.1 8 6.9 0.2
180 10 0 3 31.741 63.481 0.341 5.1 4 122.3 36.4
181 11 0 1 31.793 63.586 0.342 5.08 4 59.3 8.5
182 5 2 5 31.8 63.601 0.342 5.07 8 63.5 19.5
183 7 2 4 31.913 63.826 0.343 5.04 8 142.6 97.8
184 5 3 3 32.002 64.005 0.344 5.01 8 18.4 1.6
185 9 2 2 32.063 64.126 0.345 4.98 8 82.7 32.6
186 5 1 6 32.197 64.393 0.346 4.94 8 23.2 2.5
187 0 2 6 32.283 64.567 0.347 4.91 4 164.5 63.5
188 3 3 4 32.296 64.592 0.347 4.91 8 44.4 9.2
189 1 0 7 32.339 64.678 0.347 4.89 4 26.4 1.6
190 1 2 6 32.426 64.851 0.348 4.86 8 145.2 98.0
191 7 3 1 32.482 64.964 0.349 4.85 8 7.9 0.3
192 8 0 5 32.494 64.988 0.349 4.84 4 46.5 5.0
193 6 0 6 32.547 65.095 0.349 4.83 4 7.5 0.1
194 2 0 7 32.765 65.529 0.351 4.76 4 39.6 3.6
195 9 1 4 32.823 65.645 0.352 4.74 8 23.0 2.4
196 2 2 6 32.851 65.701 0.352 4.73 8 32.6 4.8
197 11 0 2 32.895 65.789 0.353 4.72 4 68.9 10.7
198 10 1 3 32.956 65.912 0.353 4.7 8 52.9 12.6
199 11 1 1 33.007 66.014 0.354 4.68 8 4.2 0.1
200 4 3 4 33.285 66.571 0.356 4.6 8 69.8 21.4
201 10 2 0 33.292 66.584 0.356 4.6 4 20.6 0.9
202 6 2 5 33.361 66.721 0.357 4.58 8 10.4 0.5
203 0 1 7 33.403 66.806 0.357 4.57 4 80.1 14.0
204 3 0 7 33.468 66.935 0.358 4.55 4 44.7 4.3
205 1 1 7 33.543 67.085 0.359 4.53 8 13.1 0.7
206 3 2 6 33.553 67.106 0.359 4.52 8 93.4 37.7
207 6 3 3 33.557 67.115 0.359 4.52 8 4.5 0.1
208 7 3 2 33.572 67.143 0.359 4.52 8 45.7 9.0
209 0 4 0 33.632 67.264 0.36 4.5 2 481.1 248.9
210 10 2 1 33.653 67.306 0.36 4.49 8 12.1 0.6
211 8 1 5 33.695 67.39 0.36 4.48 8 44.1 8.3
212 6 1 6 33.747 67.494 0.361 4.47 8 21.3 1.9
213 9 2 3 33.881 67.762 0.362 4.43 8 25.9 2.8
214 2 1 7 33.961 67.921 0.363 4.41 8 78.2 25.8
215 8 2 4 34.028 68.055 0.363 4.39 8 68.9 19.9
216 11 1 2 34.088 68.177 0.364 4.38 8 71.3 21.3
217 1 4 1 34.13 68.26 0.364 4.36 8 15.6 1.0
218 2 4 0 34.188 68.376 0.365 4.35 4 5.5 0.1
219 8 3 0 34.223 68.445 0.365 4.34 4 94.4 18.5
220 10 0 4 34.285 68.569 0.366 4.32 4 76.0 11.9
221 0 3 5 34.29 68.58 0.366 4.32 4 25.5 1.3
222 7 0 6 34.366 68.733 0.366 4.3 4 17.2 0.6
223 1 3 5 34.428 68.856 0.367 4.29 8 18.8 1.4
224 4 0 7 34.44 68.88 0.367 4.28 4 30.1 1.8
225 4 2 6 34.524 69.048 0.368 4.26 8 12.6 0.7
226 5 3 4 34.536 69.073 0.368 4.26 8 61.9 15.6
227 2 4 1 34.544 69.089 0.368 4.26 8 9.9 0.4
228 8 3 1 34.579 69.157 0.368 4.25 8 27.7 3.1
229 3 1 7 34.652 69.303 0.369 4.23 8 26.6 2.9
230 12 0 0 34.661 69.322 0.369 4.23 2 18.3 0.3
231 11 0 3 34.69 69.381 0.369 4.22 4 67.7 9.2
232 10 2 2 34.724 69.449 0.37 4.21 8 174.2 122.1
233 2 3 5 34.841 69.682 0.371 4.18 8 63.8 16.3
234 9 0 5 34.865 69.731 0.371 4.18 4 100.3 20.1
235 12 0 1 35.015 70.03 0.372 4.14 4 33.5 2.2
236 0 4 2 35.058 70.115 0.373 4.13 4 50.1 5.0
237 7 2 5 35.159 70.318 0.374 4.11 8 3.9 0.1
238 1 4 2 35.194 70.389 0.374 4.1 8 24.6 2.4
239 3 4 1 35.23 70.46 0.374 4.09 8 29.6 3.4
240 7 3 3 35.351 70.702 0.376 4.06 8 5.4 0.1
241 10 1 4 35.456 70.911 0.377 4.04 8 28.4 3.1
242 3 3 5 35.524 71.048 0.377 4.02 8 38.9 5.8
243 7 1 6 35.536 71.072 0.377 4.02 8 37.6 5.4
244 2 4 2 35.603 71.206 0.378 4.01 8 23.0 2.0
245 4 1 7 35.609 71.217 0.378 4.0 8 33.7 4.3
246 8 3 2 35.637 71.274 0.378 4.0 8 3.1 0.0
247 5 0 7 35.672 71.344 0.379 3.99 4 52.8 5.3
248 5 2 6 35.755 71.509 0.379 3.97 8 91.0 31.4
249 12 1 0 35.826 71.653 0.38 3.96 4 0.8 0.0
250 4 4 0 35.832 71.663 0.38 3.96 4 38.1 2.7
251 11 1 3 35.856 71.711 0.38 3.95 8 12.5 0.6
252 9 1 5 36.028 72.056 0.382 3.91 8 16.3 1.0
253 6 3 4 36.038 72.075 0.382 3.91 8 77.7 22.5
254 12 0 2 36.068 72.135 0.382 3.91 4 49.3 4.5
255 12 1 1 36.175 72.351 0.383 3.88 8 57.0 12.0
256 4 4 1 36.181 72.361 0.383 3.88 8 50.9 9.6
257 3 4 2 36.28 72.561 0.384 3.86 8 18.3 1.2
258 9 2 4 36.351 72.702 0.385 3.85 8 16.6 1.0
259 8 0 6 36.411 72.822 0.385 3.83 4 50.3 4.6
260 4 3 5 36.471 72.943 0.386 3.82 8 71.5 18.7
261 10 2 3 36.478 72.956 0.386 3.82 8 186.1 126.4
262 11 2 1 36.527 73.054 0.386 3.81 8 105.1 40.2
263 5 1 7 36.824 73.647 0.389 3.75 8 74.6 20.0
264 9 3 1 36.887 73.773 0.39 3.74 8 62.6 14.0
265 1 4 3 36.939 73.877 0.39 3.73 8 27.6 2.7
266 1 2 7 37.039 74.078 0.391 3.71 8 57.1 11.6
267 11 0 4 37.137 74.274 0.392 3.69 4 69.8 8.6
268 6 0 7 37.154 74.307 0.392 3.69 4 71.6 9.0
269 8 2 5 37.185 74.37 0.392 3.69 8 106.4 39.9
270 12 1 2 37.215 74.429 0.393 3.68 8 27.4 2.6
271 4 4 2 37.22 74.44 0.393 3.68 8 43.2 6.6
272 6 2 6 37.235 74.47 0.393 3.68 8 70.8 17.6
273 2 4 3 37.34 74.679 0.394 3.66 8 13.5 0.6
274 8 3 3 37.373 74.746 0.394 3.65 8 7.0 0.2
275 5 4 1 37.388 74.776 0.394 3.65 8 70.8 17.5
276 10 0 5 37.433 74.866 0.395 3.64 4 68.2 8.1
277 2 2 7 37.44 74.88 0.395 3.64 8 5.2 0.1
278 0 0 8 37.513 75.026 0.395 3.63 2 112.0 10.9
279 8 1 6 37.554 75.108 0.396 3.62 8 51.3 9.1
280 11 2 2 37.562 75.125 0.396 3.62 8 31.9 3.5
281 1 0 8 37.646 75.292 0.396 3.6 4 37.0 2.4
282 5 3 5 37.676 75.351 0.397 3.6 8 112.5 43.5
283 7 3 4 37.78 75.56 0.398 3.58 8 11.6 0.5
284 12 0 3 37.796 75.592 0.398 3.58 4 45.1 3.5
285 9 3 2 37.919 75.837 0.399 3.56 8 122.7 51.2
286 3 4 3 38.005 76.01 0.4 3.54 8 15.3 0.8
287 2 0 8 38.045 76.089 0.4 3.54 4 148.1 37.1
288 3 2 7 38.104 76.209 0.401 3.53 8 24.0 1.9
289 1 3 6 38.256 76.512 0.402 3.5 8 62.8 13.2
290 11 1 4 38.272 76.544 0.402 3.5 8 30.1 3.0
291 6 1 7 38.289 76.577 0.402 3.5 8 43.9 6.4
292 13 0 1 38.374 76.748 0.403 3.48 4 41.2 2.8
293 5 4 2 38.416 76.831 0.403 3.48 8 152.6 77.4
294 6 4 0 38.506 77.011 0.404 3.46 4 120.1 23.8
295 10 1 5 38.565 77.13 0.405 3.45 8 53.8 9.6
296 2 3 6 38.652 77.305 0.405 3.44 8 6.2 0.1
297 9 0 6 38.676 77.351 0.406 3.44 4 9.9 0.2
298 3 0 8 38.706 77.411 0.406 3.43 4 14.5 0.3
299 1 1 8 38.776 77.553 0.407 3.42 8 36.6 4.4
300 6 4 1 38.846 77.692 0.407 3.41 8 44.1 6.3
301 7 0 7 38.878 77.756 0.407 3.41 4 45.8 3.4
302 10 2 4 38.88 77.761 0.407 3.41 8 102.5 34.2
303 12 1 3 38.925 77.849 0.408 3.4 8 18.9 1.2
304 4 4 3 38.93 77.859 0.408 3.4 8 23.8 1.8
305 7 2 6 38.958 77.916 0.408 3.4 8 33.6 3.7
306 4 2 7 39.028 78.057 0.409 3.39 8 51.8 8.7
307 10 3 0 39.066 78.131 0.409 3.38 4 159.9 41.3
308 6 3 5 39.13 78.259 0.41 3.37 8 68.9 15.3
309 2 1 8 39.171 78.342 0.41 3.37 8 5.2 0.1
310 0 4 4 39.2 78.4 0.41 3.36 4 75.5 9.2
311 12 2 0 39.239 78.478 0.411 3.36 4 12.7 0.3
312 11 2 3 39.267 78.535 0.411 3.35 8 97.4 30.4
313 3 3 6 39.31 78.621 0.411 3.35 8 21.8 1.5
314 1 4 4 39.331 78.663 0.411 3.34 8 54.8 9.6
315 13 0 2 39.393 78.787 0.412 3.33 4 22.7 0.8
316 10 3 1 39.404 78.809 0.412 3.33 8 122.3 47.6
317 9 2 5 39.434 78.869 0.412 3.33 8 126.7 51.0
318 13 1 1 39.498 78.996 0.413 3.32 8 26.0 2.1
319 12 2 1 39.577 79.155 0.414 3.31 8 11.8 0.4
320 9 3 3 39.619 79.238 0.414 3.3 8 14.8 0.7
321 4 0 8 39.626 79.251 0.414 3.3 4 15.7 0.4
322 2 4 4 39.725 79.449 0.415 3.29 8 55.8 9.8
323 8 3 4 39.757 79.514 0.415 3.29 8 54.7 9.4
324 9 1 6 39.797 79.594 0.415 3.28 8 4.1 0.1
325 3 1 8 39.827 79.653 0.416 3.28 8 24.1 1.8
326 6 4 2 39.861 79.723 0.416 3.27 8 56.2 9.9
327 7 1 7 39.997 79.995 0.417 3.26 8 67.9 14.3
328 5 4 3 40.109 80.219 0.418 3.24 8 14.7 0.7
329 12 0 4 40.172 80.345 0.419 3.23 4 48.2 3.6
330 11 0 5 40.201 80.401 0.419 3.23 4 55.8 4.8
331 5 2 7 40.207 80.415 0.419 3.23 8 122.5 46.3
332 4 3 6 40.226 80.453 0.419 3.23 8 2.0 0.0
333 3 4 4 40.378 80.756 0.421 3.21 8 21.6 1.4
334 10 3 2 40.416 80.832 0.421 3.2 8 19.1 1.1
335 13 1 2 40.509 81.018 0.422 3.19 8 52.4 8.4
336 7 4 1 40.548 81.096 0.422 3.19 8 40.8 5.1
337 12 2 2 40.588 81.177 0.422 3.18 8 15.1 0.7
338 4 1 8 40.74 81.48 0.424 3.17 8 28.2 2.4
339 5 0 8 40.8 81.6 0.424 3.16 4 73.6 8.2
340 7 3 5 40.829 81.658 0.424 3.16 8 72.4 15.8
341 8 0 7 40.84 81.68 0.424 3.16 4 56.8 4.9
342 8 2 6 40.919 81.839 0.425 3.15 8 6.9 0.1
343 13 0 3 41.077 82.153 0.427 3.13 4 45.5 3.1
344 10 0 6 41.161 82.321 0.427 3.12 4 3.3 0.0
345 12 1 4 41.283 82.567 0.428 3.11 8 6.2 0.1
346 4 4 4 41.288 82.577 0.428 3.11 8 42.6 5.4
347 11 1 5 41.311 82.623 0.429 3.11 8 32.1 3.1
348 5 3 6 41.397 82.794 0.429 3.1 8 17.9 0.9
349 6 4 3 41.54 83.081 0.43 3.08 8 84.5 21.0
350 7 4 2 41.554 83.107 0.431 3.08 8 29.7 2.6
351 14 0 0 41.568 83.135 0.431 3.08 2 35.9 0.9
352 11 2 4 41.622 83.243 0.431 3.07 8 4.0 0.0
353 6 2 7 41.638 83.275 0.431 3.07 8 105.7 32.8
354 14 0 1 41.902 83.803 0.434 3.05 4 40.9 2.4
355 5 1 8 41.908 83.815 0.434 3.05 8 18.3 1.0
356 10 2 5 41.909 83.817 0.434 3.05 8 5.8 0.1
357 8 1 7 41.947 83.895 0.434 3.04 8 70.4 14.4
358 9 3 4 41.969 83.937 0.434 3.04 8 34.3 3.4
359 0 2 8 41.986 83.973 0.434 3.04 4 30.8 1.4
360 10 3 3 42.091 84.181 0.435 3.03 8 53.4 8.3
361 1 2 8 42.116 84.232 0.435 3.03 8 19.4 1.1
362 11 3 1 42.138 84.275 0.435 3.03 8 5.5 0.1
363 8 4 0 42.16 84.32 0.436 3.02 4 124.8 22.5
364 13 1 3 42.183 84.366 0.436 3.02 8 15.5 0.7
365 6 0 8 42.227 84.453 0.436 3.02 4 57.9 4.8
366 12 2 3 42.261 84.523 0.437 3.01 8 35.9 3.7
367 10 1 6 42.266 84.533 0.437 3.01 8 84.1 20.4
368 1 4 5 42.352 84.704 0.437 3.01 8 27.1 2.1
369 5 4 4 42.454 84.907 0.438 3.0 8 87.3 21.8
370 8 4 1 42.493 84.987 0.438 2.99 8 59.8 10.2
371 0 3 7 42.502 85.004 0.439 2.99 4 69.3 6.9
372 2 2 8 42.504 85.007 0.439 2.99 8 48.5 6.7
373 1 3 7 42.631 85.262 0.44 2.98 8 1.7 0.0
374 14 1 0 42.672 85.344 0.44 2.98 4 158.7 35.9
375 2 4 5 42.74 85.479 0.441 2.97 8 60.4 10.4
376 8 3 5 42.772 85.544 0.441 2.97 8 40.7 4.7
377 6 3 6 42.82 85.64 0.441 2.97 8 4.3 0.1
378 13 2 1 42.825 85.65 0.441 2.97 8 24.5 1.7
379 14 0 2 42.902 85.804 0.442 2.96 4 29.4 1.2
380 14 1 1 43.005 86.009 0.443 2.95 8 2.1 0.0
381 2 3 7 43.018 86.036 0.443 2.95 8 72.9 15.0
382 9 0 7 43.041 86.082 0.443 2.95 4 71.9 7.3
383 9 2 6 43.12 86.239 0.444 2.94 8 43.8 5.4
384 11 3 2 43.137 86.274 0.444 2.94 8 71.2 14.3
385 3 2 8 43.149 86.298 0.444 2.94 8 23.3 1.5
386 12 0 5 43.182 86.363 0.444 2.94 4 65.5 6.0
387 7 4 3 43.221 86.441 0.445 2.94 8 18.1 0.9
388 7 2 7 43.317 86.635 0.445 2.93 8 0.1 0.0
389 6 1 8 43.328 86.657 0.445 2.93 8 102.5 29.4
390 1 0 9 43.369 86.738 0.446 2.93 4 82.6 9.5
391 3 4 5 43.385 86.769 0.446 2.93 8 37.8 4.0
392 13 0 4 43.412 86.824 0.446 2.92 4 2.6 0.0
393 8 4 2 43.492 86.983 0.447 2.92 8 62.3 10.8
394 3 3 7 43.663 87.325 0.448 2.91 8 34.7 3.4
395 2 0 9 43.756 87.511 0.449 2.9 4 62.5 5.4
396 13 2 2 43.823 87.645 0.449 2.9 8 27.3 2.1
397 6 4 4 43.872 87.745 0.45 2.89 8 9.3 0.2
398 11 0 6 43.874 87.749 0.45 2.89 4 47.2 3.1
399 7 0 8 43.904 87.807 0.45 2.89 4 88.4 10.8
400 14 1 2 44.002 88.004 0.451 2.88 8 39.9 4.4
401 4 2 8 44.051 88.102 0.451 2.88 8 122.3 41.2
402 9 1 7 44.141 88.282 0.452 2.88 8 94.6 24.6
403 0 5 1 44.147 88.293 0.452 2.88 4 22.9 0.7
404 1 5 1 44.275 88.551 0.453 2.87 8 23.4 1.5
405 12 1 5 44.281 88.563 0.453 2.87 8 19.4 1.0
406 4 4 5 44.286 88.573 0.453 2.87 8 18.0 0.9
407 2 5 0 44.329 88.659 0.454 2.86 4 4.6 0.0
408 0 1 9 44.34 88.68 0.454 2.86 4 13.0 0.2
409 3 0 9 44.4 88.799 0.454 2.86 4 33.5 1.5
410 10 3 4 44.419 88.839 0.454 2.86 8 22.9 1.4
411 1 1 9 44.468 88.937 0.455 2.86 8 106.4 30.9
412 7 3 6 44.495 88.991 0.455 2.86 8 31.8 2.8
413 13 1 4 44.511 89.022 0.455 2.85 8 12.3 0.4
414 14 0 3 44.563 89.127 0.455 2.85 4 86.2 10.1
415 4 3 7 44.564 89.128 0.455 2.85 8 22.9 1.4
416 12 2 4 44.589 89.179 0.456 2.85 8 46.5 5.9
417 11 2 5 44.617 89.234 0.456 2.85 8 82.6 18.6
418 2 5 1 44.661 89.323 0.456 2.85 8 26.2 1.9
419 9 4 1 44.684 89.368 0.456 2.84 8 40.4 4.4
420 12 3 0 44.77 89.541 0.457 2.84 4 7.0 0.1
421 11 3 3 44.798 89.596 0.457 2.84 8 4.9 0.1
422 2 1 9 44.855 89.709 0.458 2.84 8 26.0 1.8
423 9 3 5 44.962 89.924 0.459 2.83 8 5.5 0.1
424 11 1 6 44.973 89.946 0.459 2.83 8 119.5 38.6
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 1 5.144 10.289 8.59054 63.9 5.5 5.5 5.6
2 0 0 2 8.756 17.513 5.0598 174.8 15.0 15.1 5.6
3 0 1 1 9.091 18.183 4.87495 61.7 5.3 5.3 5.6
4 1 0 2 9.174 18.349 4.83111 41.5 3.5 3.6 5.6
5 3 0 1 9.281 18.562 4.77626 41.8 3.6 3.6 5.6
6 1 1 1 9.495 18.99 4.66943 48.1 4.1 4.2 5.6
7 2 0 2 10.331 20.662 4.29527 32.2 2.8 2.8 5.6
8 2 1 1 10.618 21.236 4.18045 43.1 3.7 3.7 5.6
9 4 0 0 10.928 21.856 4.06325 71.5 6.1 6.2 5.6
10 4 0 1 11.788 23.575 3.77065 122.6 10.5 10.5 5.6
11 3 0 2 12.023 24.046 3.69787 42.9 3.7 3.7 5.6
12 1 1 2 12.191 24.382 3.64762 35.1 3.0 3.0 5.6
13 3 1 1 12.272 24.545 3.62384 298.5 25.5 25.7 5.6
14 1 0 3 13.487 26.973 3.30282 17.2 1.5 1.5 5.6
15 4 1 0 13.577 27.154 3.2812 28.2 2.4 2.4 5.6
16 4 0 2 14.071 28.143 3.16815 65.2 5.6 5.6 5.6
17 4 1 1 14.287 28.575 3.12123 80.0 6.8 6.9 5.6
18 5 0 1 14.412 28.824 3.09485 154.7 13.2 13.3 5.6
19 3 1 2 14.485 28.97 3.07957 54.9 4.7 4.7 5.6
20 0 1 3 15.489 30.978 2.88437 1168.7 100.0 100.0 5.6
21 1 1 3 15.737 31.474 2.83999 109.2 9.3 9.3 5.6
22 0 2 0 16.077 32.154 2.7815 445.4 38.1 38.1 5.6
23 5 0 2 16.359 32.718 2.73486 444.7 38.1 38.0 5.6
24 2 1 3 16.462 32.924 2.71823 210.9 18.0 18.0 5.6
25 5 1 1 16.548 33.095 2.7045 951.7 81.4 81.3 5.6
26 2 2 0 17.02 34.04 2.63162 217.4 18.6 18.6 5.7
27 6 0 1 17.12 34.24 2.61671 33.1 2.8 2.8 5.7
28 3 1 3 17.61 35.221 2.54601 231.2 19.8 19.7 5.7
29 0 0 4 17.726 35.453 2.5299 56.0 4.8 4.8 5.7
30 1 0 4 17.947 35.894 2.4998 49.1 4.2 4.2 5.7
31 5 1 2 18.291 36.583 2.45431 17.7 1.5 1.5 5.7
32 0 2 2 18.422 36.844 2.43748 91.8 7.9 7.8 5.7
33 2 0 4 18.595 37.191 2.41555 53.1 4.5 4.5 5.7
34 1 2 2 18.636 37.271 2.41052 166.8 14.3 14.2 5.7
35 6 0 2 18.817 37.634 2.38813 20.8 1.8 1.8 5.7
36 6 1 1 18.984 37.969 2.36784 44.3 3.8 3.8 5.7
37 4 1 3 19.117 38.234 2.35201 94.2 8.1 8.0 5.7
38 2 2 2 19.264 38.528 2.33472 137.1 11.7 11.7 5.7
39 1 1 4 19.744 39.488 2.28016 33.2 2.8 2.8 5.7
40 7 0 1 19.9 39.799 2.26305 39.0 3.3 3.3 5.7
41 4 2 1 20.128 40.257 2.23838 130.5 11.2 11.1 5.7
42 3 2 2 20.275 40.55 2.22286 83.7 7.2 7.1 5.7
43 4 0 4 21.018 42.036 2.14764 19.2 1.6 1.6 5.7
44 1 2 3 21.226 42.452 2.12754 81.3 7.0 6.9 5.7
45 3 1 4 21.312 42.623 2.11941 31.2 2.7 2.6 5.7
46 6 0 3 21.389 42.778 2.1121 141.1 12.1 11.9 5.7
47 2 2 3 21.792 43.584 2.07488 253.0 21.7 21.4 5.7
48 5 2 1 21.86 43.72 2.06876 189.6 16.2 16.0 5.7
49 8 0 0 22.281 44.561 2.03163 124.1 10.6 10.5 5.7
50 4 1 4 22.61 45.221 2.00352 61.3 5.2 5.2 5.7
51 5 0 4 22.694 45.389 1.99649 106.2 9.1 9.0 5.7
52 8 0 1 22.75 45.5 1.99188 46.5 4.0 3.9 5.7
53 7 1 2 22.979 45.958 1.97308 44.4 3.8 3.7 5.7
54 2 0 5 23.092 46.185 1.96393 49.1 4.2 4.1 5.7
55 5 2 2 23.265 46.531 1.95012 188.3 16.1 15.9 5.7
56 8 1 0 23.806 47.612 1.90835 73.4 6.3 6.2 5.7
57 6 2 1 23.838 47.677 1.90589 12.6 1.1 1.1 5.7
58 4 2 3 23.949 47.898 1.89761 22.2 1.9 1.9 5.7
59 8 0 2 24.115 48.23 1.88532 39.0 3.3 3.3 5.7
60 5 1 4 24.199 48.399 1.87914 27.4 2.3 2.3 5.7
61 8 1 1 24.252 48.504 1.87529 14.3 1.2 1.2 5.7
62 0 2 4 24.304 48.607 1.87155 21.4 1.8 1.8 5.7
63 1 2 4 24.475 48.95 1.85927 179.7 15.4 15.1 5.7
64 2 1 5 24.578 49.157 1.85191 49.5 4.2 4.2 5.7
65 2 2 4 24.983 49.966 1.82381 44.0 3.8 3.7 5.7
66 3 2 4 25.813 51.626 1.76897 17.5 1.5 1.5 5.8
67 6 1 4 26.041 52.082 1.75456 62.7 5.4 5.2 5.8
68 3 3 1 26.462 52.924 1.72863 46.9 4.0 3.9 5.8
69 4 1 5 26.562 53.124 1.72258 49.8 4.3 4.2 5.8
70 4 2 4 26.945 53.89 1.6999 50.0 4.3 4.2 5.8
71 9 1 1 27.056 54.112 1.69343 35.2 3.0 2.9 5.8
72 0 0 6 27.175 54.349 1.6866 47.5 4.1 4.0 5.8
73 7 2 2 27.269 54.539 1.68119 94.2 8.1 7.9 5.8
74 1 0 6 27.333 54.666 1.67759 33.9 2.9 2.8 5.8
75 3 3 2 27.691 55.381 1.6576 13.4 1.2 1.1 5.8
76 2 0 6 27.803 55.607 1.65141 17.1 1.5 1.4 5.8
77 5 1 5 27.984 55.968 1.6416 151.3 12.9 12.6 5.8
78 0 3 3 28.296 56.591 1.62498 271.4 23.2 22.6 5.8
79 5 2 4 28.354 56.708 1.62193 279.0 23.9 23.2 5.8
80 1 3 3 28.45 56.899 1.61692 23.4 2.0 1.9 5.8
81 3 0 6 28.576 57.152 1.61037 130.7 11.2 10.9 5.8
82 1 1 6 28.658 57.316 1.60615 32.3 2.8 2.7 5.8
83 2 3 3 28.908 57.816 1.59344 37.4 3.2 3.1 5.8
84 5 3 1 28.963 57.927 1.59066 140.9 12.1 11.7 5.8
85 8 0 4 29.095 58.191 1.58408 14.0 1.2 1.2 5.8
86 3 2 5 29.451 58.903 1.56662 14.4 1.2 1.2 5.8
87 10 1 0 29.587 59.174 1.56008 101.5 8.7 8.4 5.8
88 4 0 6 29.636 59.272 1.55773 120.5 10.3 10.0 5.8
89 10 1 1 29.972 59.944 1.54186 81.8 7.0 6.8 5.8
90 5 3 2 30.124 60.249 1.5348 12.6 1.1 1.0 5.8
91 8 1 4 30.371 60.742 1.52351 29.2 2.5 2.4 5.8
92 6 3 1 30.605 61.211 1.51295 12.5 1.1 1.0 5.8
93 9 2 1 30.945 61.89 1.49797 23.9 2.0 2.0 5.8
94 7 1 5 31.569 63.138 1.47133 39.3 3.4 3.2 5.9
95 9 0 4 31.605 63.21 1.46984 35.5 3.0 2.9 5.9
96 10 0 3 31.741 63.481 1.4642 36.4 3.1 3.0 5.9
97 5 2 5 31.8 63.601 1.46173 28.1 2.4 2.3 5.9
98 7 2 4 31.913 63.826 1.45712 97.8 8.4 8.1 5.9
99 9 2 2 32.063 64.126 1.45104 32.6 2.8 2.7 5.9
100 0 2 6 32.283 64.567 1.44218 72.8 6.2 6.0 5.9
101 1 2 6 32.426 64.851 1.43654 98.0 8.4 8.1 5.9
102 10 1 3 32.956 65.912 1.41597 12.6 1.1 1.0 5.9
103 4 3 4 33.285 66.571 1.40355 22.4 1.9 1.8 5.9
104 0 1 7 33.403 66.806 1.39918 14.0 1.2 1.1 5.9
105 3 2 6 33.553 67.106 1.39365 46.8 4.0 3.8 5.9
106 0 4 0 33.632 67.264 1.39075 249.5 21.3 20.4 5.9
107 2 1 7 33.961 67.921 1.37889 25.8 2.2 2.1 5.9
108 8 2 4 34.028 68.055 1.3765 19.9 1.7 1.6 5.9
109 11 1 2 34.088 68.177 1.37435 21.3 1.8 1.7 5.9
110 8 3 0 34.223 68.445 1.36961 18.5 1.6 1.5 5.9
111 10 0 4 34.285 68.569 1.36743 13.3 1.1 1.1 5.9
112 5 3 4 34.536 69.073 1.35869 16.0 1.4 1.3 5.9
113 10 2 2 34.724 69.449 1.35225 122.1 10.4 10.0 5.9
114 9 0 5 34.865 69.731 1.34747 36.4 3.1 3.0 5.9
115 5 2 6 35.755 71.509 1.31826 31.4 2.7 2.6 5.9
116 6 3 4 36.038 72.075 1.3093 22.5 1.9 1.8 5.9
117 12 1 1 36.175 72.351 1.30499 21.6 1.9 1.8 5.9
118 10 2 3 36.478 72.956 1.29565 145.1 12.4 11.8 6.0
119 11 2 1 36.527 73.054 1.29415 40.2 3.4 3.3 6.0
120 5 1 7 36.824 73.647 1.28518 20.0 1.7 1.6 6.0
121 9 3 1 36.887 73.773 1.2833 14.0 1.2 1.1 6.0
122 6 0 7 37.154 74.307 1.27539 17.6 1.5 1.4 6.0
123 8 2 5 37.185 74.37 1.27447 42.5 3.6 3.4 6.0
124 6 2 6 37.235 74.47 1.27301 24.1 2.1 2.0 6.0
125 5 4 1 37.388 74.776 1.26855 17.5 1.5 1.4 6.0
126 8 1 6 37.554 75.108 1.26377 12.6 1.1 1.0 6.0
127 5 3 5 37.676 75.351 1.2603 45.9 3.9 3.7 6.0
128 9 3 2 37.919 75.837 1.25342 51.2 4.4 4.1 6.0
129 2 0 8 38.045 76.089 1.2499 37.1 3.2 3.0 6.0
130 1 3 6 38.256 76.512 1.24404 16.2 1.4 1.3 6.0
131 5 4 2 38.416 76.831 1.23967 77.4 6.6 6.2 6.0
132 6 4 0 38.506 77.011 1.23722 23.8 2.0 1.9 6.0
133 10 2 4 38.88 77.761 1.22715 37.6 3.2 3.0 6.0
134 10 3 0 39.066 78.131 1.22226 41.3 3.5 3.3 6.0
135 6 3 5 39.13 78.259 1.22058 15.3 1.3 1.2 6.0
136 11 2 3 39.267 78.535 1.21699 30.4 2.6 2.4 6.0
137 9 2 5 39.434 78.869 1.21267 98.7 8.4 7.9 6.0
138 7 1 7 39.997 79.995 1.19841 14.3 1.2 1.1 6.0
139 5 2 7 40.207 80.415 1.1932 54.7 4.7 4.4 6.0
140 7 3 5 40.829 81.658 1.17815 28.9 2.5 2.3 6.1
141 6 4 3 41.54 83.081 1.16155 24.6 2.1 1.9 6.1
142 6 2 7 41.638 83.275 1.15933 32.8 2.8 2.6 6.1
143 8 1 7 41.947 83.895 1.15234 17.8 1.5 1.4 6.1
144 8 4 0 42.16 84.32 1.14761 23.2 2.0 1.8 6.1
145 10 1 6 42.266 84.533 1.14526 24.1 2.1 1.9 6.1
146 5 4 4 42.454 84.907 1.14117 21.8 1.9 1.7 6.1
147 8 4 1 42.493 84.987 1.14031 23.8 2.0 1.9 6.1
148 14 1 0 42.672 85.344 1.13645 35.9 3.1 2.8 6.1
149 2 3 7 43.018 86.036 1.12906 22.3 1.9 1.8 6.1
150 11 3 2 43.137 86.274 1.12656 21.2 1.8 1.7 6.1
151 6 1 8 43.328 86.657 1.12256 29.4 2.5 2.3 6.1
152 1 0 9 43.369 86.738 1.12172 13.5 1.2 1.1 6.1
153 7 0 8 43.904 87.807 1.1108 13.9 1.2 1.1 6.2
154 4 2 8 44.051 88.102 1.10784 41.2 3.5 3.2 6.2
155 9 1 7 44.141 88.282 1.10605 25.3 2.2 2.0 6.2
156 1 1 9 44.468 88.937 1.09959 33.7 2.9 2.6 6.2
157 14 0 3 44.563 89.127 1.09774 17.4 1.5 1.4 6.2
158 11 2 5 44.617 89.234 1.0967 18.6 1.6 1.4 6.2
159 11 1 6 44.973 89.946 1.08985 38.6 3.3 3.0 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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