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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EUCLASE
5, at 62 kbar
BeAlSiO(4)OH
Monoclinic P 2(1)/a Z = 4
R =0.04 NR =197
3 .3 .1991
Ref.Str.:
Hazen R.M., Au A.Y., Finger L.W. (1986)
* Amer. Mineral., 71, 977-984
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.73 alpha = 90.0
b = 14.136 beta = 100.16
c = 4.58 gamma = 90.0
Unit cell volume (cub. angs.) = 301.43
Molar volume ( cub.cm/mol.) = 45.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1793 0.1002 0.5359 0.64 Si = 1.00
2 0.2481 0.4428 0.9582 0.68 Al = 1.00
3 0.1719 0.3029 0.4524 0.9 Be = 1.00
4 0.384 0.032 0.7609 0.94 O = 1.00
5 0.3758 0.378 0.6484 0.75 O = 1.00
6 0.3463 0.199 0.5313 0.65 O = 1.00
7 0.1042 0.0563 0.2074 0.7 O = 1.00
8 0.1558 0.3286 0.1144 0.74 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1793 0.1002 0.5359
2 2 0.2481 0.4428 0.9582
3 3 0.1719 0.3029 0.4524
4 4 0.384 0.032 0.7609
5 5 0.3758 0.378 0.6484
6 6 0.3463 0.199 0.5313
7 7 0.1042 0.0563 0.2074
8 8 0.1558 0.3286 0.1144
9 1 0.8207 0.8998 0.4641
10 2 0.7519 0.5572 0.0418
11 3 0.8281 0.6971 0.5476
12 4 0.616 0.968 0.2391
13 5 0.6242 0.622 0.3516
14 6 0.6537 0.801 0.4687
15 7 0.8958 0.9437 0.7926
16 8 0.8442 0.6714 0.8856
17 1 0.6793 0.3998 0.5359
18 2 0.7481 0.0572 0.9582
19 3 0.6719 0.1971 0.4524
20 4 0.884 0.468 0.7609
21 5 0.8758 0.122 0.6484
22 6 0.8463 0.301 0.5313
23 7 0.6042 0.4437 0.2074
24 8 0.6558 0.1714 0.1144
25 1 0.3207 0.6002 0.4641
26 2 0.2519 0.9428 0.0418
27 3 0.3281 0.8029 0.5476
28 4 0.116 0.532 0.2391
29 5 0.1242 0.878 0.3516
30 6 0.1537 0.699 0.4687
31 7 0.3958 0.5563 0.7926
32 8 0.3442 0.8286 0.8856
X-ray density (g/cm cub.) = 3.17
MU (1/cm) = 86.94 Mass attenuation coefficient (cm**2/g) = 27.394
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.6053 4
1.6065 6
1.6082 7
1.6377 5
2 Al 2.316 6
1.876 5
1.849 8
1.8331 4
1.8605 7
1.9797 4
1.9556 7
3 Be 2.04 4
1.5992 5
1.6921 6
1.5788 8
1.643 6
4 O 3.264 12
2.5777 6
2.6469 7
2.6669 7
2.4437 4
2.9427 4
2.7047 7
2.6514 7
2.7782 5
2.688 5
2.7245 8
2.9918 5
2.9439 8
5 O 3.264 11
2.5852 6
2.6285 8
2.5796 8
2.688 4
2.7782 4
2.6165 6
2.6965 6
2.7584 7
2.6228 7
2.9918 4
2.603 7
6 O 3.264 10
2.5777 4
2.5852 5
2.6423 7
2.6846 8
2.6965 5
2.6165 5
2.7699 6
2.7699 6
2.8369 8
2.632 8
7 O 3.264 11
2.6669 4
2.6469 4
2.6423 6
2.7047 4
2.6514 4
2.5404 7
2.6228 5
2.7584 5
3.1667 8
2.6473 8
2.603 5
8 O 3.264 11
2.5796 5
2.6285 5
2.6846 6
2.7245 4
2.632 6
2.8369 6
2.6473 7
3.1667 7
3.2452 8
3.2452 8
2.9439 4
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 2 0 6.257 12.513 0.071 165.43 2 53.0 1022.3
2 0 0 1 9.838 19.676 0.111 65.59 2 28.9 120.8
3 1 1 0 10.031 20.063 0.113 63.0 4 16.7 77.0
4 0 1 1 10.331 20.663 0.116 59.27 4 7.8 16.0
5 1 2 0 11.427 22.853 0.129 48.07 4 1.1 0.2
6 0 2 1 11.693 23.385 0.132 45.81 4 41.5 347.6
7 0 4 0 12.589 25.179 0.141 39.23 2 35.0 105.6
8 1 1 -1 12.863 25.727 0.145 37.49 4 16.7 46.0
9 1 3 0 13.449 26.898 0.151 34.12 4 6.1 5.6
10 0 3 1 13.678 27.356 0.153 32.92 4 26.6 102.7
11 1 2 -1 13.993 27.986 0.157 31.37 4 62.7 543.1
12 1 1 1 15.286 30.573 0.171 25.97 4 19.4 43.0
13 1 3 -1 15.71 31.42 0.176 24.49 4 19.3 40.0
14 1 4 0 15.881 31.762 0.178 23.92 4 14.6 22.6
15 0 4 1 16.078 32.157 0.18 23.29 4 37.5 143.9
16 1 2 1 16.262 32.524 0.182 22.73 4 69.1 478.1
17 1 3 1 17.782 35.563 0.198 18.71 4 1.1 0.1
18 1 4 -1 17.864 35.728 0.199 18.52 4 58.3 277.5
19 1 5 0 18.587 37.175 0.207 16.98 4 63.4 300.5
20 0 5 1 18.76 37.519 0.209 16.64 4 6.8 3.4
21 0 6 0 19.083 38.167 0.212 16.02 2 24.8 21.7
22 2 0 0 19.323 38.645 0.215 15.58 2 70.8 171.8
23 2 1 0 19.594 39.187 0.218 15.11 4 10.2 6.9
24 1 4 1 19.737 39.475 0.219 14.87 4 3.1 0.6
25 0 0 2 19.982 39.964 0.222 14.46 2 47.8 72.9
26 2 0 -1 20.156 40.312 0.224 14.19 2 62.2 120.9
27 0 1 2 20.245 40.491 0.225 14.05 4 41.0 103.8
28 1 5 -1 20.34 40.681 0.226 13.9 4 5.1 1.6
29 2 2 0 20.388 40.776 0.226 13.83 4 14.1 12.1
30 2 1 -1 20.418 40.835 0.226 13.79 4 15.1 13.8
31 1 1 -2 20.892 41.784 0.231 13.1 4 22.2 28.5
32 0 2 2 21.019 42.039 0.233 12.92 4 19.3 21.3
33 2 2 -1 21.186 42.373 0.235 12.69 4 3.1 0.5
34 1 6 0 21.495 42.99 0.238 12.29 4 5.6 1.7
35 1 2 -2 21.647 43.294 0.239 12.09 4 10.6 6.0
36 0 6 1 21.648 43.295 0.239 12.09 4 13.9 10.4
37 2 3 0 21.658 43.316 0.24 12.08 4 23.8 30.2
38 1 5 1 22.036 44.072 0.244 11.62 4 51.9 138.0
39 0 3 2 22.26 44.52 0.246 11.36 4 16.5 13.6
40 2 3 -1 22.42 44.84 0.248 11.18 4 36.3 65.0
41 1 3 -2 22.861 45.721 0.252 10.7 4 35.3 58.8
42 1 6 -1 23.065 46.13 0.254 10.48 4 60.2 167.1
43 2 4 0 23.342 46.685 0.257 10.2 4 15.2 10.4
44 2 0 1 23.471 46.941 0.259 10.08 2 63.0 88.2
45 2 1 1 23.703 47.405 0.261 9.85 4 18.3 14.5
46 0 4 2 23.911 47.822 0.263 9.66 4 25.4 27.5
47 2 4 -1 24.062 48.125 0.265 9.52 4 14.0 8.2
48 1 1 2 24.125 48.251 0.265 9.47 4 12.5 6.5
49 2 2 1 24.388 48.777 0.268 9.24 4 37.8 58.1
50 1 4 -2 24.48 48.96 0.269 9.16 4 58.4 137.4
51 1 7 0 24.568 49.136 0.27 9.08 4 2.5 0.2
52 1 6 1 24.611 49.221 0.27 9.05 4 12.5 6.2
53 0 7 1 24.706 49.411 0.271 8.97 4 16.9 11.2
54 1 2 2 24.802 49.605 0.272 8.89 4 18.3 13.1
55 2 5 0 25.38 50.76 0.278 8.44 4 1.2 0.1
56 2 3 1 25.501 51.002 0.279 8.34 4 5.3 1.0
57 2 0 -2 25.576 51.152 0.28 8.29 2 49.4 44.5
58 2 1 -2 25.794 51.588 0.282 8.13 4 12.6 5.7
59 0 8 0 25.844 51.688 0.283 8.09 2 50.8 46.0
60 1 3 2 25.902 51.803 0.284 8.05 4 5.6 1.1
61 0 5 2 25.915 51.831 0.284 8.04 4 31.7 35.5
62 1 7 -1 25.994 51.988 0.284 7.99 4 21.9 16.8
63 2 5 -1 26.058 52.116 0.285 7.94 4 24.8 21.5
64 2 2 -2 26.439 52.879 0.289 7.69 4 13.8 6.5
65 1 5 -2 26.453 52.905 0.289 7.68 4 23.1 18.0
66 2 4 1 27.002 54.004 0.295 7.33 4 17.9 10.3
67 1 4 2 27.387 54.774 0.299 7.09 4 10.0 3.1
68 1 7 1 27.417 54.835 0.299 7.08 4 5.8 1.1
69 2 3 -2 27.492 54.984 0.3 7.03 4 20.1 12.6
70 2 6 0 27.721 55.442 0.302 6.9 4 22.4 15.3
71 1 8 0 27.792 55.584 0.303 6.86 4 34.4 35.7
72 0 8 1 27.918 55.837 0.304 6.79 4 41.0 50.1
73 0 6 2 28.225 56.45 0.307 6.62 4 26.3 20.2
74 2 6 -1 28.36 56.719 0.308 6.55 4 10.4 3.1
75 1 6 -2 28.733 57.465 0.312 6.36 4 39.0 42.7
76 2 5 1 28.852 57.705 0.313 6.3 4 2.8 0.2
77 2 4 -2 28.922 57.843 0.314 6.27 4 8.0 1.8
78 1 8 -1 29.107 58.214 0.316 6.18 4 2.7 0.2
79 1 5 2 29.221 58.443 0.317 6.12 4 3.4 0.3
80 3 1 -1 29.907 59.813 0.324 5.81 4 26.6 18.2
81 3 1 0 29.955 59.909 0.324 5.79 4 14.7 5.5
82 2 7 0 30.328 60.657 0.328 5.63 4 8.7 1.9
83 1 8 1 30.433 60.866 0.329 5.59 4 29.4 21.3
84 3 2 -1 30.494 60.987 0.329 5.57 4 14.9 5.4
85 3 2 0 30.541 61.082 0.33 5.55 4 14.9 5.4
86 2 5 -2 30.697 61.393 0.331 5.49 4 23.1 12.8
87 0 7 2 30.805 61.611 0.332 5.44 4 14.9 5.3
88 0 0 3 30.836 61.673 0.333 5.43 2 26.0 8.1
89 1 1 -3 30.864 61.728 0.333 5.42 4 0.2 0.0
90 2 7 -1 30.933 61.865 0.334 5.39 4 33.1 26.1
91 2 6 1 31.017 62.033 0.334 5.36 4 11.8 3.3
92 0 1 3 31.029 62.059 0.335 5.36 4 15.1 5.3
93 2 0 2 31.058 62.116 0.335 5.35 2 64.5 49.0
94 1 9 0 31.169 62.339 0.336 5.3 4 15.2 5.4
95 2 1 2 31.25 62.5 0.337 5.27 4 4.4 0.4
96 1 7 -2 31.287 62.573 0.337 5.26 4 22.2 11.4
97 0 9 1 31.287 62.574 0.337 5.26 4 16.6 6.4
98 1 6 2 31.37 62.74 0.338 5.23 4 55.4 70.6
99 1 2 -3 31.44 62.881 0.339 5.2 4 21.8 10.9
100 3 3 -1 31.458 62.915 0.339 5.2 4 16.9 6.5
101 3 3 0 31.504 63.008 0.339 5.18 4 9.3 2.0
102 0 2 3 31.604 63.208 0.34 5.14 4 14.5 4.7
103 2 2 2 31.822 63.645 0.342 5.07 4 29.4 19.3
104 1 3 -3 32.388 64.776 0.348 4.88 4 18.5 7.3
105 1 9 -1 32.399 64.799 0.348 4.87 4 15.0 4.8
106 0 3 3 32.549 65.098 0.349 4.82 4 38.2 31.0
107 2 3 2 32.764 65.528 0.351 4.76 4 31.0 20.2
108 3 4 -1 32.78 65.56 0.351 4.75 4 52.5 57.7
109 2 6 -2 32.788 65.577 0.352 4.75 4 24.2 12.2
110 3 4 0 32.826 65.651 0.352 4.74 4 40.6 34.4
111 0 10 0 33.018 66.037 0.354 4.68 2 5.4 0.3
112 2 8 0 33.181 66.362 0.355 4.63 4 27.4 15.3
113 2 7 1 33.468 66.936 0.358 4.55 4 26.9 14.5
114 3 1 -2 33.601 67.201 0.359 4.51 4 33.0 21.6
115 0 8 2 33.635 67.27 0.36 4.5 4 22.3 9.9
116 1 9 1 33.65 67.3 0.36 4.5 4 3.5 0.2
117 1 4 -3 33.691 67.382 0.36 4.48 4 23.9 11.3
118 3 1 1 33.736 67.471 0.36 4.47 4 25.2 12.5
119 2 8 -1 33.757 67.513 0.361 4.47 4 14.7 4.2
120 1 7 2 33.808 67.615 0.361 4.45 4 41.0 33.0
121 0 4 3 33.849 67.698 0.362 4.44 4 4.9 0.5
122 2 0 -3 33.981 67.963 0.363 4.4 2 9.8 0.9
123 2 4 2 34.06 68.119 0.364 4.38 4 7.8 1.2
124 1 8 -2 34.095 68.19 0.364 4.37 4 35.1 23.7
125 3 2 -2 34.152 68.304 0.364 4.36 4 14.8 4.2
126 2 1 -3 34.165 68.329 0.365 4.35 4 29.1 16.3
127 3 2 1 34.286 68.572 0.366 4.32 4 40.3 30.9
128 3 5 -1 34.441 68.882 0.367 4.28 4 56.2 59.6
129 3 5 0 34.485 68.971 0.368 4.27 4 63.5 75.9
130 1 1 3 34.634 69.269 0.369 4.23 4 5.2 0.5
131 2 2 -3 34.712 69.424 0.37 4.21 4 51.8 49.8
132 1 10 0 34.713 69.426 0.37 4.21 4 17.9 5.9
133 0 10 1 34.825 69.649 0.371 4.19 4 74.6 102.5
134 3 3 -2 35.062 70.124 0.373 4.13 4 7.8 1.1
135 2 7 -2 35.175 70.35 0.374 4.1 4 30.4 16.7
136 1 2 3 35.178 70.356 0.374 4.1 4 62.7 70.9
137 3 3 1 35.194 70.389 0.374 4.1 4 2.6 0.1
138 1 5 -3 35.331 70.662 0.375 4.07 4 15.4 4.3
139 0 5 3 35.486 70.971 0.377 4.03 4 22.0 8.6
140 2 3 -3 35.615 71.231 0.378 4.0 4 59.0 61.4
141 2 5 2 35.692 71.384 0.379 3.99 4 14.4 3.6
142 1 10 -1 35.881 71.762 0.38 3.94 4 20.3 7.1
143 1 3 3 36.076 72.153 0.382 3.9 4 44.5 34.1
144 2 8 1 36.191 72.381 0.383 3.88 4 35.8 21.9
145 2 9 0 36.271 72.542 0.384 3.86 4 27.1 12.5
146 3 4 -2 36.319 72.638 0.384 3.85 4 22.9 8.9
147 3 6 -1 36.422 72.844 0.385 3.83 4 30.8 16.0
148 3 4 1 36.449 72.898 0.386 3.83 4 25.5 10.9
149 3 6 0 36.465 72.931 0.386 3.82 4 53.7 48.5
150 1 8 2 36.519 73.037 0.386 3.81 4 47.8 38.4
151 0 9 2 36.708 73.415 0.388 3.78 4 5.4 0.5
152 2 9 -1 36.825 73.649 0.389 3.75 4 10.4 1.8
153 2 4 -3 36.864 73.728 0.389 3.75 4 16.0 4.2
154 1 10 1 37.076 74.153 0.391 3.71 4 23.1 8.7
155 1 9 -2 37.151 74.301 0.392 3.69 4 8.6 1.2
156 1 6 -3 37.292 74.585 0.393 3.67 4 0.6 0.0
157 1 4 3 37.319 74.638 0.394 3.66 4 48.3 37.7
158 0 6 3 37.444 74.887 0.395 3.64 4 1.2 0.0
159 2 6 2 37.646 75.291 0.396 3.6 4 23.4 8.7
160 2 8 -2 37.844 75.688 0.398 3.57 4 10.3 1.7
161 3 5 -2 37.91 75.82 0.399 3.56 4 42.0 27.7
162 3 5 1 38.038 76.077 0.4 3.54 4 26.7 11.1
163 2 5 -3 38.447 76.894 0.404 3.47 4 13.3 2.7
164 1 11 0 38.449 76.897 0.404 3.47 4 4.4 0.3
165 0 11 1 38.556 77.111 0.405 3.46 4 26.7 10.9
166 3 7 -1 38.711 77.422 0.406 3.43 4 8.9 1.2
167 3 7 0 38.753 77.507 0.406 3.43 4 2.0 0.1
168 1 5 3 38.896 77.792 0.408 3.4 4 13.6 2.8
169 2 9 1 39.181 78.362 0.41 3.36 4 3.8 0.2
170 1 9 2 39.5 79.001 0.413 3.32 4 14.2 2.9
171 1 7 -3 39.564 79.128 0.413 3.31 4 8.6 1.1
172 1 11 -1 39.574 79.149 0.414 3.31 4 25.3 9.4
173 2 10 0 39.606 79.212 0.414 3.31 4 3.3 0.2
174 0 7 3 39.713 79.425 0.415 3.29 4 20.9 6.3
175 3 6 -2 39.825 79.651 0.416 3.28 4 6.8 0.7
176 2 7 2 39.911 79.822 0.416 3.27 4 6.0 0.5
177 3 6 1 39.952 79.904 0.417 3.26 4 6.0 0.5
178 0 10 2 40.03 80.061 0.418 3.25 4 30.0 12.9
179 2 10 -1 40.144 80.289 0.418 3.24 4 29.0 12.0
180 2 6 -3 40.355 80.711 0.42 3.21 4 25.0 8.8
181 1 10 -2 40.462 80.924 0.421 3.2 4 2.6 0.1
182 3 1 -3 40.53 81.061 0.422 3.19 4 3.7 0.2
183 1 11 1 40.734 81.468 0.424 3.17 4 10.1 1.4
184 3 1 2 40.74 81.481 0.424 3.17 4 2.1 0.1
185 2 9 -2 40.795 81.591 0.424 3.16 4 2.0 0.1
186 1 6 3 40.798 81.597 0.424 3.16 4 9.0 1.1
187 4 0 -1 40.817 81.634 0.424 3.16 2 40.9 11.6
188 0 12 0 40.835 81.671 0.424 3.16 2 24.9 4.3
189 4 1 -1 40.989 81.978 0.426 3.14 4 8.2 0.9
190 3 2 -3 41.046 82.093 0.426 3.13 4 23.3 7.5
191 2 0 3 41.096 82.192 0.427 3.13 2 10.1 0.7
192 3 2 2 41.256 82.512 0.428 3.11 4 6.7 0.6
193 2 1 3 41.268 82.535 0.428 3.11 4 8.5 1.0
194 3 8 -1 41.303 82.606 0.428 3.11 4 9.3 1.2
195 3 8 0 41.345 82.69 0.429 3.1 4 20.5 5.8
196 4 0 0 41.436 82.871 0.43 3.09 2 25.9 4.6
197 4 2 -1 41.504 83.007 0.43 3.09 4 24.2 8.0
198 4 1 0 41.607 83.214 0.431 3.08 4 18.1 4.4
199 2 2 3 41.782 83.563 0.433 3.06 4 13.3 2.4
200 3 3 -3 41.903 83.807 0.434 3.05 4 8.3 0.9
201 3 7 -2 42.06 84.12 0.435 3.03 4 4.4 0.3
202 3 3 2 42.112 84.224 0.435 3.03 4 11.3 1.7
203 4 2 0 42.12 84.241 0.435 3.03 4 12.0 1.9
204 1 8 -3 42.144 84.287 0.436 3.03 4 22.2 6.6
205 3 7 1 42.185 84.37 0.436 3.02 4 8.7 1.0
206 0 8 3 42.29 84.581 0.437 3.01 4 6.9 0.6
207 4 3 -1 42.359 84.718 0.437 3.01 4 25.2 8.4
208 1 12 0 42.415 84.83 0.438 3.0 4 39.4 20.5
209 2 10 1 42.45 84.9 0.438 3.0 4 54.7 39.5
210 2 8 2 42.486 84.973 0.438 3.0 4 33.5 14.8
211 0 12 1 42.52 85.039 0.439 2.99 4 5.2 0.4
212 1 1 -4 42.565 85.13 0.439 2.99 4 33.8 15.0
213 2 7 -3 42.584 85.169 0.439 2.99 4 20.9 5.7
214 2 3 3 42.636 85.273 0.44 2.98 4 4.9 0.3
215 1 10 2 42.764 85.528 0.441 2.97 4 19.2 4.8
216 4 3 0 42.974 85.948 0.442 2.96 4 21.9 6.2
217 1 7 3 43.023 86.047 0.443 2.95 4 6.8 0.6
218 1 2 -4 43.077 86.154 0.443 2.95 4 26.8 9.3
219 3 4 -3 43.099 86.198 0.444 2.95 4 3.1 0.1
220 0 0 4 43.114 86.228 0.444 2.95 2 31.7 6.5
221 2 11 0 43.209 86.418 0.444 2.94 4 20.7 5.5
222 0 1 4 43.284 86.569 0.445 2.93 4 2.8 0.1
223 3 4 2 43.307 86.614 0.445 2.93 4 16.8 3.6
224 1 12 -1 43.519 87.038 0.447 2.92 4 1.7 0.0
225 4 4 -1 43.553 87.106 0.447 2.91 4 4.4 0.2
226 4 0 -2 43.564 87.127 0.447 2.91 2 15.3 1.5
227 0 11 2 43.627 87.255 0.448 2.91 4 12.8 2.1
228 4 1 -2 43.734 87.468 0.449 2.9 4 7.1 0.7
229 2 11 -1 43.74 87.48 0.449 2.9 4 5.4 0.4
230 0 2 4 43.795 87.591 0.449 2.9 4 22.3 6.3
231 2 4 3 43.83 87.659 0.45 2.9 4 10.9 1.5
232 1 3 -4 43.929 87.858 0.45 2.89 4 8.7 1.0
233 2 10 -2 44.043 88.085 0.451 2.88 4 4.6 0.3
234 1 11 -2 44.053 88.107 0.451 2.88 4 4.6 0.3
235 4 4 0 44.167 88.333 0.452 2.87 4 9.1 1.0
236 3 9 -1 44.205 88.41 0.453 2.87 4 18.3 4.2
237 4 2 -2 44.245 88.489 0.453 2.87 4 32.0 12.9
238 3 9 0 44.247 88.493 0.453 2.87 4 28.6 10.3
239 3 8 -2 44.617 89.234 0.456 2.85 4 16.1 3.3
240 3 5 -3 44.631 89.263 0.456 2.85 4 27.1 9.2
241 0 3 4 44.646 89.293 0.456 2.85 4 9.8 1.2
242 1 12 1 44.662 89.325 0.456 2.85 4 11.0 1.5
243 3 8 1 44.742 89.483 0.457 2.84 4 6.0 0.4
244 2 0 -4 44.817 89.634 0.458 2.84 2 16.7 1.8
245 3 5 2 44.839 89.678 0.458 2.84 4 21.4 5.7
246 2 1 -4 44.987 89.975 0.459 2.83 4 2.1 0.1
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 0 2 0 6.257 12.513 7.068 1022.3 100.0 100.0 5.6
2 0 0 1 9.838 19.676 4.50818 120.8 11.8 11.8 5.6
3 1 1 0 10.031 20.063 4.42215 77.0 7.5 7.5 5.6
4 0 1 1 10.331 20.663 4.29505 16.0 1.6 1.6 5.6
5 0 2 1 11.693 23.385 3.80085 347.6 34.0 33.8 5.6
6 0 4 0 12.589 25.179 3.534 105.6 10.3 10.2 5.6
7 1 1 -1 12.863 25.727 3.45998 46.0 4.5 4.5 5.6
8 0 3 1 13.678 27.356 3.25744 102.7 10.0 9.9 5.6
9 1 2 -1 13.993 27.986 3.18554 543.1 53.1 52.6 5.6
10 1 1 1 15.286 30.573 2.92167 43.0 4.2 4.2 5.6
11 1 3 -1 15.71 31.42 2.84478 40.0 3.9 3.9 5.6
12 1 4 0 15.881 31.762 2.81493 22.6 2.2 2.2 5.6
13 0 4 1 16.078 32.157 2.78129 143.9 14.1 13.9 5.6
14 1 2 1 16.262 32.524 2.75072 478.1 46.8 46.1 5.6
15 1 4 -1 17.864 35.728 2.51103 277.5 27.1 26.7 5.7
16 1 5 0 18.587 37.175 2.41655 300.5 29.4 28.9 5.7
17 0 6 0 19.083 38.167 2.356 21.7 2.1 2.1 5.7
18 2 0 0 19.323 38.645 2.32791 171.8 16.8 16.5 5.7
19 0 0 2 19.982 39.964 2.25409 72.9 7.1 7.0 5.7
20 2 0 -1 20.156 40.312 2.23542 120.9 11.8 11.6 5.7
21 0 1 2 20.245 40.491 2.22597 103.8 10.2 9.9 5.7
22 2 2 0 20.388 40.776 2.21108 12.1 1.2 1.2 5.7
23 2 1 -1 20.418 40.835 2.20798 13.8 1.4 1.3 5.7
24 1 1 -2 20.892 41.784 2.16 28.5 2.8 2.7 5.7
25 0 2 2 21.019 42.039 2.14753 21.3 2.1 2.0 5.7
26 2 3 0 21.658 43.316 2.0871 46.6 4.6 4.4 5.7
27 1 5 1 22.036 44.072 2.05303 138.0 13.5 13.2 5.7
28 0 3 2 22.26 44.52 2.0334 13.6 1.3 1.3 5.7
29 2 3 -1 22.42 44.84 2.01966 65.0 6.4 6.2 5.7
30 1 3 -2 22.861 45.721 1.98275 58.8 5.7 5.6 5.7
31 1 6 -1 23.065 46.13 1.96614 167.1 16.4 15.9 5.7
32 2 4 0 23.342 46.685 1.94404 10.4 1.0 1.0 5.7
33 2 0 1 23.471 46.941 1.93402 88.2 8.6 8.4 5.7
34 2 1 1 23.703 47.405 1.91617 14.5 1.4 1.4 5.7
35 0 4 2 23.911 47.822 1.90043 27.5 2.7 2.6 5.7
36 2 2 1 24.388 48.777 1.86544 58.1 5.7 5.5 5.7
37 1 4 -2 24.48 48.96 1.85888 137.4 13.4 13.0 5.7
38 0 7 1 24.706 49.411 1.84297 11.2 1.1 1.1 5.7
39 1 2 2 24.802 49.605 1.83624 13.1 1.3 1.2 5.7
40 2 0 -2 25.576 51.152 1.78426 44.5 4.4 4.2 5.8
41 0 8 0 25.844 51.688 1.767 46.0 4.5 4.3 5.8
42 0 5 2 25.915 51.831 1.76248 36.6 3.6 3.5 5.8
43 1 7 -1 25.994 51.988 1.75753 16.8 1.6 1.6 5.8
44 2 5 -1 26.058 52.116 1.75351 21.5 2.1 2.0 5.8
45 1 5 -2 26.453 52.905 1.72919 24.4 2.4 2.3 5.8
46 2 4 1 27.002 54.004 1.69657 10.3 1.0 1.0 5.8
47 2 3 -2 27.492 54.984 1.66864 12.6 1.2 1.2 5.8
48 2 6 0 27.721 55.442 1.65592 15.3 1.5 1.4 5.8
49 1 8 0 27.792 55.584 1.65202 35.7 3.5 3.4 5.8
50 0 8 1 27.918 55.837 1.64514 50.1 4.9 4.7 5.8
51 0 6 2 28.225 56.45 1.62872 20.2 2.0 1.9 5.8
52 1 6 -2 28.733 57.465 1.60234 42.7 4.2 4.0 5.8
53 3 1 -1 29.907 59.813 1.54492 18.2 1.8 1.7 5.8
54 1 8 1 30.433 60.866 1.52071 21.3 2.1 2.0 5.8
55 2 5 -2 30.697 61.393 1.5089 12.8 1.3 1.2 5.8
56 2 7 -1 30.933 61.865 1.49851 26.1 2.5 2.4 5.8
57 2 0 2 31.058 62.116 1.49307 57.6 5.6 5.4 5.8
58 1 7 -2 31.287 62.573 1.48324 17.8 1.7 1.7 5.8
59 1 6 2 31.37 62.74 1.4797 70.6 6.9 6.6 5.9
60 1 2 -3 31.44 62.881 1.47674 17.4 1.7 1.6 5.9
61 2 2 2 31.822 63.645 1.46084 19.3 1.9 1.8 5.9
62 1 3 -3 32.388 64.776 1.43802 12.1 1.2 1.1 5.9
63 0 3 3 32.549 65.098 1.43168 31.0 3.0 2.9 5.9
64 3 4 -1 32.78 65.56 1.42272 90.1 8.8 8.3 5.9
65 3 4 0 32.826 65.651 1.42096 34.4 3.4 3.2 5.9
66 2 8 0 33.181 66.362 1.40746 15.3 1.5 1.4 5.9
67 2 7 1 33.468 66.936 1.39678 14.5 1.4 1.3 5.9
68 3 1 -2 33.601 67.201 1.3919 21.6 2.1 2.0 5.9
69 1 4 -3 33.691 67.382 1.38861 11.3 1.1 1.0 5.9
70 3 1 1 33.736 67.471 1.38698 16.7 1.6 1.5 5.9
71 1 7 2 33.808 67.615 1.38439 33.0 3.2 3.0 5.9
72 1 8 -2 34.095 68.19 1.37411 23.7 2.3 2.2 5.9
73 2 1 -3 34.165 68.329 1.37164 20.5 2.0 1.9 5.9
74 3 2 1 34.286 68.572 1.36738 30.9 3.0 2.8 5.9
75 3 5 -1 34.441 68.882 1.36199 59.6 5.8 5.5 5.9
76 3 5 0 34.485 68.971 1.36045 75.9 7.4 7.0 5.9
77 2 2 -3 34.712 69.424 1.35267 55.7 5.4 5.1 5.9
78 0 10 1 34.825 69.649 1.34884 102.5 10.0 9.4 5.9
79 1 2 3 35.178 70.356 1.33701 87.8 8.6 8.1 5.9
80 2 3 -3 35.615 71.231 1.32273 61.4 6.0 5.6 5.9
81 1 3 3 36.076 72.153 1.30808 34.1 3.3 3.1 5.9
82 2 8 1 36.191 72.381 1.30451 21.9 2.1 2.0 5.9
83 2 9 0 36.271 72.542 1.30202 12.5 1.2 1.1 6.0
84 3 6 -1 36.422 72.844 1.29736 26.9 2.6 2.5 6.0
85 3 6 0 36.465 72.931 1.29603 48.5 4.7 4.4 6.0
86 1 8 2 36.519 73.037 1.29441 38.4 3.8 3.5 6.0
87 1 4 3 37.319 74.638 1.27056 37.7 3.7 3.4 6.0
88 3 5 -2 37.91 75.82 1.25366 27.7 2.7 2.5 6.0
89 3 5 1 38.038 76.077 1.25007 11.1 1.1 1.0 6.0
90 0 11 1 38.556 77.111 1.23586 10.9 1.1 1.0 6.0
91 1 11 -1 39.574 79.149 1.20908 10.4 1.0 0.9 6.0
92 0 10 2 40.03 80.061 1.19758 12.9 1.3 1.2 6.0
93 2 10 -1 40.144 80.289 1.19476 12.0 1.2 1.1 6.0
94 4 0 -1 40.817 81.634 1.17844 17.0 1.7 1.5 6.1
95 1 12 0 42.415 84.83 1.14201 20.5 2.0 1.8 6.1
96 2 10 1 42.45 84.9 1.14125 39.5 3.9 3.5 6.1
97 2 8 2 42.486 84.973 1.14045 14.8 1.4 1.3 6.1
98 1 1 -4 42.565 85.13 1.13875 20.7 2.0 1.8 6.1
99 4 2 -2 44.245 88.489 1.10399 23.3 2.3 2.1 6.2
100 3 5 -3 44.631 89.263 1.09642 13.7 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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