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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ORTHOCLASE
4, at 121'K, f-feldspar, sf-Na-K-feldspar
K[AlSi(3)O(8)]
Monoclinic C 2/m Z = 4
R =0.044 NR =940
8 .2 .1902
Ref.Str.:
Kimata M., Saito S., Shimizu M., Iida i., Matsui T. (1996)
* Neues Jb. Mineral., Abh., 171, 199-213
Reserv:
from Itrongay, Madagascar. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.574 alpha = 90.0
b = 13.006 beta = 116.07
c = 7.191 gamma = 90.0
Unit cell volume (cub. angs.) = 720.31
Molar volume ( cub.cm/mol.) = 108.47
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2863 0.0 0.1387 1.98 K = 0.95, K = 0.0
2 0.0096 0.1856 0.224 0.88 Si = 0.65, Al = 0.35
3 0.7104 0.118 0.3443 0.87 Si = 0.85, Al = 0.15
4 0.0 0.1462 0.0 1.67 O = 1.00
5 0.64 0.0 0.2846 1.73 O = 1.00
6 0.8284 0.1477 0.2276 2.01 O = 1.00
7 0.0364 0.3113 0.2589 1.61 O = 1.00
8 0.1795 0.1263 0.406 1.57 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2863 0.0 0.1387
2 2 0.0096 0.1856 0.224
3 3 0.7104 0.118 0.3443
4 4 0.0 0.1462 0.0
5 5 0.64 0.0 0.2846
6 6 0.8284 0.1477 0.2276
7 7 0.0364 0.3113 0.2589
8 8 0.1795 0.1263 0.406
9 1 0.7137 0.0 0.8613
10 2 0.9904 0.8144 0.776
11 3 0.2896 0.882 0.6557
12 4 0.0 0.8538 0.0
13 5 0.36 0.0 0.7154
14 6 0.1716 0.8523 0.7724
15 7 0.9636 0.6887 0.7411
16 8 0.8205 0.8737 0.594
17 2 0.0096 0.8144 0.224
18 3 0.7104 0.882 0.3443
19 6 0.8284 0.8523 0.2276
20 7 0.0364 0.6887 0.2589
21 8 0.1795 0.8737 0.406
22 2 0.9904 0.1856 0.776
23 3 0.2896 0.118 0.6557
24 6 0.1716 0.1477 0.7724
25 7 0.9636 0.3113 0.7411
26 8 0.8205 0.1263 0.594
27 1 0.7863 0.5 0.1387
28 2 0.5096 0.3144 0.224
29 3 0.2104 0.382 0.3443
30 4 0.5 0.3538 0.0
31 5 0.14 0.5 0.2846
32 6 0.3284 0.3523 0.2276
33 7 0.5364 0.1887 0.2589
34 8 0.6795 0.3737 0.406
35 1 0.2137 0.5 0.8613
36 2 0.4904 0.6856 0.776
37 3 0.7896 0.618 0.6557
38 4 0.5 0.6462 0.0
39 5 0.86 0.5 0.7154
40 6 0.6716 0.6477 0.7724
41 7 0.4636 0.8113 0.7411
42 8 0.3205 0.6263 0.594
43 2 0.5096 0.6856 0.224
44 3 0.2104 0.618 0.3443
45 6 0.3284 0.6477 0.2276
46 7 0.5364 0.8113 0.2589
47 8 0.6795 0.6263 0.406
48 2 0.4904 0.3144 0.776
49 3 0.7896 0.382 0.6557
50 6 0.6716 0.3523 0.7724
51 7 0.4636 0.1887 0.7411
52 8 0.3205 0.3737 0.594
X-ray density (g/cm cub.) = 2.55
MU (1/cm) = 121.482 Mass attenuation coefficient (cm**2/g) = 47.71
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,K 3.228 9
2.9128 4
2.7388 5
2.9629 8
2.9128 4
3.0527 6
2.9629 8
3.0527 6
3.1208 7
3.1208 7
2 Si ,Al 2.316 4
1.6575 4
1.6409 6
1.6546 7
1.6595 8
3 Si ,Al 2.316 4
1.6359 5
1.6197 6
1.6239 8
1.6258 7
4 O 3.264 6
2.6382 6
2.7683 7
2.6476 8
2.6382 6
2.7683 7
2.6476 8
5 O 3.264 6
2.6551 6
2.649 8
2.6551 6
2.649 8
2.5888 7
2.5888 7
6 O 3.264 6
2.6382 4
2.6551 5
2.7214 7
2.7186 8
2.6797 8
2.6643 7
7 O 3.264 6
2.7683 4
2.7214 6
2.6968 8
2.5888 5
2.6643 6
2.6907 8
8 O 3.264 6
2.6476 4
2.7186 6
2.6968 7
2.649 5
2.6797 6
2.6907 7
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 1 0 6.675 13.35 0.075 145.07 4 18.2 37.0
2 0 2 0 6.803 13.605 0.077 139.59 2 32.9 58.2
3 0 0 1 6.849 13.698 0.077 137.68 2 19.3 19.7
4 1 1 -1 7.547 15.093 0.085 113.0 4 28.0 68.2
5 0 2 1 9.676 19.352 0.109 67.87 4 12.3 7.9
6 2 0 -1 10.509 21.018 0.118 57.21 2 131.6 382.2
7 1 1 1 11.273 22.546 0.127 49.44 4 56.8 123.0
8 2 0 0 11.539 23.077 0.13 47.1 2 38.0 26.2
9 1 3 0 11.765 23.529 0.132 45.23 4 116.3 471.9
10 1 3 -1 12.29 24.58 0.138 41.27 4 54.2 93.6
11 2 2 -1 12.561 25.122 0.141 39.42 4 46.1 64.6
12 1 1 -2 12.845 25.691 0.144 37.6 4 101.8 300.4
13 2 2 0 13.443 26.885 0.151 34.16 4 150.3 595.1
14 2 0 -2 13.559 27.117 0.152 33.54 2 162.1 339.9
15 0 4 0 13.704 27.407 0.154 32.79 2 117.7 175.3
16 0 0 2 13.798 27.596 0.155 32.32 2 195.7 477.0
17 1 3 1 14.918 29.836 0.167 27.36 4 128.0 345.5
18 2 2 -2 15.228 30.457 0.17 26.18 4 50.9 52.3
19 0 4 1 15.38 30.76 0.172 25.63 4 86.6 148.2
20 0 2 2 15.444 30.888 0.173 25.4 4 58.7 67.5
21 2 0 1 15.916 31.831 0.178 23.81 2 15.9 2.3
22 3 1 -1 16.036 32.071 0.179 23.43 4 23.3 9.8
23 1 3 -2 16.163 32.325 0.181 23.03 4 82.0 119.5
24 3 1 -2 17.208 34.415 0.192 20.1 4 88.8 122.3
25 2 2 1 17.38 34.76 0.194 19.67 4 33.1 16.6
26 2 4 -1 17.396 34.793 0.194 19.63 4 120.0 217.8
27 1 1 2 17.593 35.186 0.196 19.15 4 61.7 56.2
28 3 1 0 17.808 35.617 0.199 18.65 4 63.7 58.3
29 2 4 0 18.062 36.125 0.201 18.08 4 43.2 26.0
30 1 5 0 18.213 36.427 0.203 17.75 4 3.8 0.2
31 1 5 -1 18.571 37.142 0.207 17.01 4 62.4 51.1
32 3 3 -1 18.848 37.696 0.21 16.46 4 71.2 64.3
33 2 0 -3 18.917 37.833 0.21 16.33 2 16.2 1.7
34 1 1 -3 19.374 38.748 0.215 15.49 4 52.9 33.4
35 2 4 -2 19.469 38.938 0.216 15.32 4 3.3 0.1
36 0 4 2 19.643 39.286 0.218 15.02 4 2.6 0.1
37 3 3 -2 19.875 39.75 0.221 14.64 4 31.5 11.2
38 2 2 -3 20.191 40.382 0.224 14.13 4 23.5 6.0
39 1 3 2 20.217 40.433 0.224 14.09 4 9.5 1.0
40 3 3 0 20.408 40.816 0.226 13.8 4 22.2 5.2
41 1 5 1 20.478 40.957 0.227 13.7 4 46.4 22.7
42 0 6 0 20.815 41.63 0.231 13.21 2 167.6 143.0
43 3 1 -3 20.892 41.785 0.231 13.1 4 15.0 2.3
44 0 0 3 20.962 41.924 0.232 13.0 2 26.6 3.6
45 2 4 1 21.246 42.493 0.235 12.61 4 77.4 58.3
46 4 0 -1 21.333 42.665 0.236 12.5 2 61.8 18.4
47 4 0 -2 21.394 42.788 0.237 12.42 2 76.1 27.7
48 1 5 -2 21.44 42.88 0.237 12.36 4 5.3 0.3
49 1 3 -3 21.816 43.632 0.241 11.89 4 21.7 4.3
50 2 0 2 21.876 43.751 0.242 11.81 2 54.3 13.4
51 3 1 1 21.907 43.814 0.242 11.77 4 36.4 12.0
52 0 6 1 22.014 44.027 0.243 11.65 4 56.4 28.5
53 0 2 3 22.139 44.277 0.245 11.5 4 3.3 0.1
54 4 2 -1 22.494 44.987 0.248 11.09 4 16.8 2.4
55 4 2 -2 22.553 45.105 0.249 11.03 4 95.6 77.7
56 2 2 2 23.015 46.029 0.254 10.53 4 93.7 71.3
57 3 3 -3 23.203 46.407 0.256 10.34 4 48.7 18.9
58 2 6 -1 23.542 47.084 0.259 10.01 4 22.2 3.8
59 4 0 0 23.582 47.164 0.26 9.97 2 128.8 63.8
60 3 5 -1 23.616 47.233 0.26 9.94 4 47.5 17.3
61 2 4 -3 23.673 47.347 0.261 9.88 4 3.3 0.1
62 4 0 -3 23.753 47.505 0.261 9.81 2 92.0 32.0
63 2 6 0 24.066 48.131 0.265 9.52 4 42.8 13.5
64 3 3 1 24.141 48.281 0.265 9.45 4 34.8 8.8
65 3 5 -2 24.48 48.959 0.269 9.16 4 18.8 2.5
66 1 1 3 24.574 49.148 0.27 9.08 4 72.5 36.8
67 4 2 0 24.66 49.319 0.271 9.01 4 46.0 14.7
68 1 5 2 24.77 49.54 0.272 8.92 4 38.9 10.4
69 4 2 -3 24.825 49.649 0.273 8.87 4 40.5 11.2
70 3 5 0 24.933 49.867 0.274 8.78 4 56.8 21.8
71 2 6 -2 25.196 50.392 0.276 8.58 4 60.2 23.9
72 1 7 0 25.244 50.487 0.277 8.54 4 7.3 0.4
73 0 6 2 25.339 50.677 0.278 8.47 4 91.8 55.0
74 2 0 -4 25.377 50.754 0.278 8.44 2 199.3 129.2
75 0 4 3 25.409 50.818 0.279 8.41 4 94.2 57.6
76 1 7 -1 25.52 51.04 0.28 8.33 4 13.3 1.1
77 4 4 -1 25.729 51.458 0.282 8.18 4 75.8 36.2
78 4 4 -2 25.783 51.565 0.282 8.14 4 48.1 14.5
79 1 5 -3 26.149 52.299 0.286 7.88 4 1.8 0.0
80 2 4 2 26.201 52.403 0.287 7.85 4 61.8 23.1
81 3 1 -4 26.225 52.449 0.287 7.83 4 9.9 0.6
82 2 2 -4 26.401 52.801 0.289 7.71 4 3.8 0.1
83 1 1 -4 26.501 53.002 0.29 7.64 4 30.7 5.6
84 1 3 3 26.637 53.274 0.291 7.56 4 41.4 10.0
85 2 6 1 26.67 53.341 0.291 7.53 4 4.9 0.1
86 5 1 -2 26.967 53.933 0.294 7.35 4 47.1 12.6
87 1 7 1 27.033 54.067 0.295 7.31 4 23.5 3.1
88 3 5 -3 27.37 54.74 0.298 7.1 4 79.1 34.3
89 3 1 2 27.507 55.014 0.3 7.02 4 24.7 3.3
90 5 1 -1 27.652 55.304 0.301 6.94 4 18.8 1.9
91 4 4 0 27.706 55.413 0.302 6.91 4 24.3 3.1
92 4 0 1 27.708 55.417 0.302 6.91 2 4.4 0.1
93 1 7 -2 27.819 55.638 0.303 6.85 4 62.7 20.8
94 4 4 -3 27.858 55.717 0.303 6.82 4 2.8 0.0
95 4 0 -4 27.962 55.923 0.304 6.77 2 27.4 2.0
96 3 3 -4 28.202 56.403 0.307 6.64 4 33.3 5.7
97 3 5 1 28.206 56.411 0.307 6.63 4 88.2 39.8
98 5 1 -3 28.27 56.54 0.307 6.6 4 41.7 8.9
99 0 8 0 28.281 56.562 0.308 6.59 2 64.0 10.4
100 1 3 -4 28.465 56.93 0.309 6.5 4 32.3 5.2
101 0 0 4 28.49 56.979 0.31 6.49 2 23.3 1.4
102 4 2 1 28.674 57.348 0.311 6.39 4 25.0 3.1
103 2 0 3 28.719 57.438 0.312 6.37 2 45.4 5.1
104 2 6 -3 28.752 57.503 0.312 6.35 4 18.0 1.6
105 5 3 -2 28.909 57.818 0.314 6.27 4 0.8 0.0
106 4 2 -4 28.922 57.843 0.314 6.27 4 84.8 34.8
107 0 8 1 29.247 58.494 0.317 6.11 4 35.0 5.8
108 2 4 -4 29.32 58.641 0.318 6.08 4 24.7 2.9
109 3 3 2 29.426 58.852 0.319 6.03 4 8.9 0.4
110 0 2 4 29.438 58.877 0.319 6.02 4 87.6 35.6
111 5 3 -1 29.565 59.129 0.32 5.97 4 24.3 2.7
112 3 7 -1 29.646 59.292 0.321 5.93 4 17.1 1.3
113 2 2 3 29.663 59.326 0.321 5.92 4 41.6 7.9
114 5 3 -3 30.157 60.315 0.326 5.71 4 99.8 43.8
115 5 1 0 30.236 60.473 0.327 5.67 4 18.1 1.4
116 0 6 3 30.281 60.562 0.327 5.65 4 52.2 11.9
117 3 7 -2 30.388 60.776 0.328 5.61 4 22.1 2.1
118 1 5 3 30.469 60.939 0.329 5.58 4 37.1 5.9
119 2 8 -1 30.51 61.021 0.33 5.56 4 26.8 3.1
120 4 6 -1 30.566 61.133 0.33 5.54 4 100.5 43.1
121 4 6 -2 30.614 61.228 0.331 5.52 4 1.8 0.0
122 1 7 2 30.639 61.278 0.331 5.51 4 15.5 1.0
123 3 7 0 30.781 61.562 0.332 5.45 4 11.4 0.5
124 2 8 0 30.95 61.901 0.334 5.39 4 174.3 126.2
125 2 6 2 30.989 61.979 0.334 5.37 4 19.5 1.6
126 5 1 -4 31.4 62.8 0.338 5.22 4 67.3 18.2
127 4 4 1 31.456 62.912 0.339 5.2 4 31.7 4.0
128 4 4 -4 31.69 63.381 0.341 5.11 4 2.7 0.0
129 1 7 -3 31.847 63.693 0.343 5.06 4 63.9 15.9
130 2 8 -2 31.913 63.826 0.343 5.04 4 41.4 6.7
131 3 5 -4 31.913 63.826 0.343 5.04 4 9.0 0.3
132 0 8 2 32.035 64.071 0.344 4.99 4 46.5 8.3
133 5 3 0 32.053 64.105 0.344 4.99 4 71.5 19.7
134 1 1 4 32.137 64.275 0.345 4.96 4 77.1 22.7
135 1 5 -4 32.158 64.315 0.345 4.95 4 37.4 5.4
136 0 4 4 32.181 64.361 0.346 4.95 4 8.0 0.2
137 4 6 0 32.35 64.7 0.347 4.89 4 52.7 10.4
138 2 4 3 32.394 64.788 0.348 4.87 4 114.6 49.3
139 4 6 -3 32.489 64.977 0.349 4.84 4 55.9 11.7
140 5 5 -2 32.571 65.142 0.349 4.82 4 65.8 16.1
141 2 0 -5 32.627 65.253 0.35 4.8 2 39.3 2.9
142 6 0 -2 32.658 65.316 0.35 4.79 2 143.8 38.2
143 3 1 -5 32.697 65.393 0.351 4.78 4 33.0 4.0
144 1 9 0 32.842 65.684 0.352 4.73 4 49.7 9.0
145 3 7 -3 32.931 65.863 0.353 4.71 4 19.5 1.4
146 3 5 2 33.054 66.108 0.354 4.67 4 39.8 5.7
147 1 9 -1 33.077 66.153 0.354 4.66 4 22.1 1.8
148 6 0 -3 33.173 66.347 0.355 4.63 2 33.6 2.0
149 5 3 -4 33.18 66.361 0.355 4.63 4 11.4 0.5
150 5 5 -1 33.184 66.368 0.355 4.63 4 5.5 0.1
151 2 8 1 33.191 66.382 0.355 4.63 4 10.6 0.4
152 4 0 2 33.26 66.521 0.356 4.61 2 149.6 39.7
153 2 2 -5 33.506 67.012 0.358 4.54 4 3.3 0.0
154 6 2 -2 33.537 67.073 0.359 4.53 4 3.8 0.1
155 4 0 -5 33.579 67.158 0.359 4.52 2 92.9 15.0
156 3 7 1 33.682 67.365 0.36 4.49 4 23.1 1.9
157 5 5 -3 33.741 67.481 0.361 4.47 4 58.7 11.9
158 2 6 -4 33.83 67.66 0.361 4.45 4 73.9 18.7
159 1 3 4 33.897 67.794 0.362 4.43 4 49.3 8.3
160 6 0 -1 33.922 67.843 0.362 4.42 2 60.4 6.2
161 6 2 -3 34.045 68.091 0.363 4.39 4 43.4 6.4
162 4 2 2 34.131 68.263 0.364 4.36 4 19.2 1.2
163 3 1 3 34.196 68.391 0.365 4.35 4 18.6 1.2
164 1 1 -5 34.241 68.483 0.365 4.33 4 46.4 7.2
165 1 9 1 34.378 68.755 0.367 4.3 4 1.1 0.0
166 3 3 -5 34.442 68.883 0.367 4.28 4 14.2 0.7
167 4 2 -5 34.446 68.892 0.367 4.28 4 64.3 13.7
168 5 1 1 34.463 68.926 0.367 4.28 4 6.9 0.2
169 6 2 -1 34.784 69.569 0.37 4.2 4 66.8 14.4
170 2 8 -3 35.036 70.073 0.373 4.14 4 31.0 3.1
171 1 9 -2 35.064 70.127 0.373 4.13 4 97.8 30.5
172 6 0 -4 35.429 70.858 0.376 4.04 2 97.3 14.8
173 5 5 0 35.533 71.066 0.377 4.02 4 44.8 6.2
174 1 7 3 35.748 71.495 0.379 3.97 4 30.5 2.8
175 4 6 1 35.818 71.636 0.38 3.96 4 26.4 2.1
176 3 3 3 35.906 71.811 0.381 3.94 4 9.3 0.3
177 1 3 -5 35.951 71.901 0.381 3.93 4 104.0 32.8
178 4 6 -4 36.038 72.076 0.382 3.91 4 13.1 0.5
179 2 4 -5 36.08 72.16 0.382 3.9 4 57.9 10.1
180 5 1 -5 36.092 72.184 0.382 3.9 4 58.7 10.4
181 6 4 -2 36.11 72.22 0.383 3.9 4 31.0 2.9
182 5 3 1 36.168 72.335 0.383 3.88 4 63.3 12.0
183 6 2 -4 36.276 72.552 0.384 3.86 4 17.5 0.9
184 0 10 0 36.317 72.634 0.384 3.85 2 77.4 8.9
185 2 0 4 36.355 72.711 0.385 3.85 2 99.8 14.8
186 0 8 3 36.42 72.839 0.385 3.83 4 57.8 9.9
187 0 6 4 36.499 72.999 0.386 3.82 4 53.5 8.4
188 0 0 5 36.602 73.204 0.387 3.8 2 46.7 3.2
189 6 4 -3 36.602 73.204 0.387 3.8 4 21.8 1.4
190 5 5 -4 36.609 73.218 0.387 3.79 4 24.6 1.8
191 4 8 -1 36.68 73.36 0.388 3.78 4 55.5 9.0
192 3 9 -1 36.686 73.371 0.388 3.78 4 0.3 0.0
193 4 4 2 36.686 73.371 0.388 3.78 4 45.2 5.9
194 2 6 3 36.701 73.401 0.388 3.78 4 39.1 4.4
195 4 8 -2 36.724 73.447 0.388 3.77 4 139.9 57.0
196 6 0 0 36.876 73.752 0.39 3.74 2 93.7 12.7
197 4 4 -5 36.991 73.981 0.391 3.72 4 66.7 12.8
198 2 8 2 37.067 74.135 0.391 3.71 4 146.1 61.0
199 3 7 -4 37.087 74.173 0.391 3.7 4 3.3 0.0
200 0 10 1 37.167 74.333 0.392 3.69 4 3.5 0.0
201 2 2 4 37.194 74.387 0.392 3.68 4 28.0 2.2
202 1 5 4 37.296 74.592 0.393 3.67 4 4.9 0.1
203 1 7 -4 37.315 74.63 0.393 3.66 4 16.7 0.8
204 6 4 -1 37.32 74.639 0.394 3.66 4 76.1 16.3
205 3 9 -2 37.354 74.708 0.394 3.66 4 71.9 14.6
206 0 2 5 37.438 74.876 0.395 3.64 4 46.6 6.1
207 1 9 2 37.582 75.163 0.396 3.61 4 32.2 2.9
208 5 7 -2 37.702 75.404 0.397 3.59 4 47.4 6.2
209 6 2 0 37.71 75.42 0.397 3.59 4 44.0 5.4
210 3 9 0 37.71 75.421 0.397 3.59 4 30.6 2.6
211 5 3 -5 37.766 75.532 0.398 3.58 4 80.2 17.8
212 3 5 -5 37.82 75.639 0.398 3.57 4 84.8 19.8
213 3 7 2 38.156 76.311 0.401 3.52 4 44.4 5.3
214 5 7 -1 38.278 76.556 0.402 3.5 4 17.4 0.8
215 2 10 -1 38.294 76.588 0.402 3.5 4 24.3 1.6
216 4 8 0 38.324 76.648 0.403 3.49 4 28.8 2.2
217 4 8 -3 38.453 76.906 0.404 3.47 4 38.3 3.9
218 1 9 -3 38.684 77.368 0.406 3.44 4 14.2 0.5
219 2 10 0 38.691 77.382 0.406 3.44 4 1.1 0.0
220 6 4 -4 38.773 77.545 0.406 3.42 4 31.6 2.6
221 5 7 -3 38.803 77.607 0.407 3.42 4 11.8 0.4
222 3 5 3 39.234 78.469 0.411 3.36 4 53.0 7.3
223 1 5 -5 39.278 78.556 0.411 3.35 4 34.4 3.1
224 6 0 -5 39.298 78.596 0.411 3.35 2 65.1 5.5
225 7 1 -3 39.319 78.638 0.411 3.34 4 23.5 1.4
226 7 1 -2 39.452 78.904 0.412 3.33 4 29.9 2.3
227 5 5 1 39.489 78.977 0.413 3.32 4 51.7 6.9
228 2 10 -2 39.566 79.132 0.413 3.31 4 63.9 10.4
229 2 4 4 39.671 79.342 0.414 3.3 4 19.1 0.9
230 0 10 2 39.678 79.355 0.414 3.3 4 55.7 7.9
231 3 9 -3 39.686 79.372 0.415 3.3 4 23.0 1.3
232 2 8 -4 39.708 79.416 0.415 3.29 4 25.6 1.7
233 0 4 5 39.91 79.821 0.416 3.27 4 43.4 4.7
234 4 0 3 40.038 80.076 0.418 3.25 2 49.7 3.1
235 6 2 -5 40.116 80.231 0.418 3.24 4 34.4 3.0
236 5 1 2 40.123 80.246 0.418 3.24 4 26.1 1.7
237 6 4 0 40.177 80.355 0.419 3.23 4 35.2 3.1
238 3 1 -6 40.21 80.419 0.419 3.23 4 80.6 16.2
239 2 6 -5 40.221 80.441 0.419 3.23 4 52.5 6.9
240 6 6 -2 40.249 80.499 0.419 3.22 4 50.6 6.4
241 3 9 1 40.386 80.771 0.421 3.21 4 12.5 0.4
242 4 0 -6 40.42 80.839 0.421 3.2 2 7.1 0.1
243 1 1 5 40.48 80.96 0.421 3.2 4 33.0 2.7
244 5 7 0 40.509 81.019 0.422 3.19 4 23.2 1.3
245 6 6 -3 40.726 81.451 0.424 3.17 4 35.5 3.1
246 2 10 1 40.742 81.484 0.424 3.17 4 36.9 3.3
247 2 0 -6 40.754 81.507 0.424 3.17 2 58.2 4.1
248 4 6 2 40.806 81.612 0.424 3.16 4 38.7 3.6
249 7 1 -4 40.841 81.681 0.424 3.16 4 45.3 5.0
250 4 2 3 40.852 81.704 0.425 3.15 4 36.2 3.2
251 7 3 -3 40.95 81.901 0.425 3.14 4 64.9 10.2
252 5 5 -5 41.046 82.092 0.426 3.13 4 3.6 0.0
253 7 3 -2 41.082 82.164 0.427 3.13 4 53.5 6.9
254 4 6 -5 41.102 82.204 0.427 3.13 4 22.6 1.2
255 1 11 0 41.232 82.464 0.428 3.11 4 7.0 0.1
256 4 2 -6 41.232 82.464 0.428 3.11 4 11.5 0.3
257 7 1 -1 41.236 82.472 0.428 3.11 4 1.6 0.0
258 6 0 1 41.394 82.787 0.429 3.1 2 46.9 2.6
259 6 6 -1 41.421 82.843 0.429 3.09 4 5.6 0.1
260 1 11 -1 41.448 82.895 0.43 3.09 4 27.0 1.7
261 5 7 -4 41.543 83.087 0.43 3.08 4 38.8 3.6
262 2 2 -6 41.565 83.13 0.431 3.08 4 14.1 0.5
263 4 8 1 41.594 83.187 0.431 3.08 4 44.4 4.7
264 5 3 2 41.747 83.495 0.432 3.06 4 40.1 3.8
265 4 8 -4 41.804 83.608 0.433 3.06 4 100.7 23.9
266 3 3 -6 41.833 83.667 0.433 3.05 4 26.0 1.6
267 3 1 4 41.949 83.899 0.434 3.04 4 31.4 2.3
268 1 3 5 42.102 84.203 0.435 3.03 4 4.9 0.1
269 5 1 -6 42.19 84.38 0.436 3.02 4 67.9 10.7
270 6 2 1 42.203 84.405 0.436 3.02 4 31.6 2.3
271 1 7 4 42.207 84.415 0.436 3.02 4 38.3 3.4
272 0 8 4 42.246 84.493 0.436 3.02 4 104.3 25.3
273 1 9 3 42.335 84.67 0.437 3.01 4 9.9 0.2
274 2 8 3 42.44 84.88 0.438 3.0 4 20.9 1.0
275 7 3 -4 42.46 84.919 0.438 3.0 4 30.7 2.2
276 2 10 -3 42.468 84.935 0.438 3.0 4 53.0 6.5
277 6 4 -5 42.548 85.096 0.439 2.99 4 30.9 2.2
278 1 11 1 42.655 85.311 0.44 2.98 4 23.6 1.3
279 3 7 -5 42.715 85.431 0.44 2.98 4 36.2 3.0
280 6 6 -4 42.839 85.678 0.441 2.97 4 38.6 3.4
281 1 1 -6 42.852 85.705 0.441 2.97 4 43.8 4.4
282 7 3 -1 42.852 85.705 0.441 2.97 4 26.6 1.6
283 4 4 3 43.277 86.554 0.445 2.93 4 92.8 19.5
284 1 11 -2 43.3 86.599 0.445 2.93 4 2.0 0.0
285 3 3 4 43.562 87.125 0.447 2.91 4 15.7 0.6
286 3 9 -4 43.617 87.235 0.448 2.91 4 3.3 0.0
287 4 4 -6 43.654 87.308 0.448 2.91 4 26.1 1.5
288 2 6 4 43.721 87.441 0.449 2.9 4 39.7 3.5
289 0 10 3 43.782 87.564 0.449 2.9 4 8.6 0.2
290 5 3 -6 43.802 87.604 0.449 2.9 4 6.4 0.1
291 1 9 -4 43.837 87.675 0.45 2.89 4 61.8 8.5
292 0 6 5 43.956 87.913 0.451 2.89 4 23.1 1.2
293 7 1 -5 43.984 87.967 0.451 2.89 4 11.5 0.3
294 2 4 -6 43.984 87.969 0.451 2.89 4 3.0 0.0
295 4 10 -1 44.031 88.063 0.451 2.88 4 2.3 0.0
296 4 10 -2 44.073 88.146 0.452 2.88 4 15.2 0.5
297 3 7 3 44.096 88.193 0.452 2.88 4 32.5 2.3
298 1 7 -5 44.139 88.278 0.452 2.88 4 2.5 0.0
299 7 5 -3 44.179 88.359 0.452 2.87 4 90.1 18.0
300 5 9 -2 44.212 88.423 0.453 2.87 4 58.6 7.6
301 6 6 0 44.22 88.439 0.453 2.87 4 51.1 5.8
302 7 5 -2 44.31 88.62 0.453 2.87 4 7.7 0.1
303 5 7 1 44.346 88.691 0.454 2.86 4 20.6 0.9
304 2 10 2 44.403 88.806 0.454 2.86 4 23.1 1.2
305 1 3 -6 44.462 88.924 0.455 2.86 4 16.5 0.6
306 6 4 1 44.619 89.237 0.456 2.85 4 59.1 7.7
307 7 1 0 44.636 89.273 0.456 2.85 4 70.7 11.0
308 3 9 2 44.652 89.303 0.456 2.85 4 27.8 1.7
309 6 0 -6 44.694 89.388 0.457 2.84 2 5.5 0.0
310 5 9 -1 44.771 89.541 0.457 2.84 4 12.3 0.3
311 3 11 -1 44.841 89.681 0.458 2.84 4 18.4 0.7
312 5 5 2 44.97 89.94 0.459 2.83 4 40.2 3.5
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 1 0 6.675 13.35 6.62693 37.0 6.2 6.3 5.6
2 0 2 0 6.803 13.605 6.503 58.2 9.8 9.9 5.6
3 0 0 1 6.849 13.698 6.45937 19.7 3.3 3.3 5.6
4 1 1 -1 7.547 15.093 5.86511 68.2 11.5 11.6 5.6
5 0 2 1 9.676 19.352 4.58281 7.9 1.3 1.3 5.6
6 2 0 -1 10.509 21.018 4.22323 382.2 64.2 64.5 5.6
7 1 1 1 11.273 22.546 3.94037 123.0 20.7 20.7 5.6
8 2 0 0 11.539 23.077 3.85083 26.2 4.4 4.4 5.6
9 1 3 0 11.765 23.529 3.77791 471.9 79.3 79.5 5.6
10 1 3 -1 12.29 24.58 3.61873 93.6 15.7 15.8 5.6
11 2 2 -1 12.561 25.122 3.54186 64.6 10.9 10.9 5.6
12 1 1 -2 12.845 25.691 3.46471 300.4 50.5 50.5 5.6
13 2 2 0 13.443 26.885 3.31346 595.1 100.0 100.0 5.6
14 2 0 -2 13.559 27.117 3.2856 339.9 57.1 57.1 5.6
15 0 4 0 13.704 27.407 3.2515 175.3 29.4 29.4 5.6
16 0 0 2 13.798 27.596 3.22969 477.0 80.1 80.1 5.6
17 1 3 1 14.918 29.836 2.99209 345.5 58.1 57.9 5.6
18 2 2 -2 15.228 30.457 2.93256 52.3 8.8 8.8 5.6
19 0 4 1 15.38 30.76 2.9043 148.2 24.9 24.8 5.6
20 0 2 2 15.444 30.888 2.89259 67.5 11.3 11.3 5.6
21 3 1 -1 16.036 32.071 2.78849 9.8 1.6 1.6 5.6
22 1 3 -2 16.163 32.325 2.76715 119.5 20.1 20.0 5.6
23 3 1 -2 17.208 34.415 2.60374 122.3 20.5 20.4 5.7
24 2 4 -1 17.396 34.793 2.57637 234.4 39.4 39.1 5.7
25 1 1 2 17.593 35.186 2.54844 56.2 9.4 9.4 5.7
26 3 1 0 17.808 35.617 2.51863 58.3 9.8 9.7 5.7
27 2 4 0 18.062 36.125 2.48434 26.0 4.4 4.3 5.7
28 1 5 -1 18.571 37.142 2.4186 51.1 8.6 8.5 5.7
29 3 3 -1 18.848 37.696 2.38434 64.3 10.8 10.7 5.7
30 1 1 -3 19.374 38.748 2.32199 33.4 5.6 5.6 5.7
31 3 3 -2 19.875 39.75 2.26573 11.2 1.9 1.9 5.7
32 2 2 -3 20.191 40.382 2.23171 7.0 1.2 1.2 5.7
33 1 5 1 20.478 40.957 2.20173 22.7 3.8 3.8 5.7
34 0 6 0 20.815 41.63 2.16767 143.0 24.0 23.7 5.7
35 2 4 1 21.246 42.493 2.12561 58.3 9.8 9.7 5.7
36 4 0 -1 21.333 42.665 2.11743 18.4 3.1 3.1 5.7
37 4 0 -2 21.394 42.788 2.11161 27.7 4.7 4.6 5.7
38 2 0 2 21.876 43.751 2.06735 13.4 2.3 2.2 5.7
39 3 1 1 21.907 43.814 2.06454 12.0 2.0 2.0 5.7
40 0 6 1 22.014 44.027 2.05504 28.5 4.8 4.7 5.7
41 4 2 -2 22.553 45.105 2.00838 77.7 13.1 12.8 5.7
42 2 2 2 23.015 46.029 1.97019 71.3 12.0 11.8 5.7
43 3 3 -3 23.203 46.407 1.95504 18.9 3.2 3.1 5.7
44 4 0 0 23.582 47.164 1.92542 63.8 10.7 10.5 5.7
45 3 5 -1 23.616 47.233 1.92277 17.3 2.9 2.8 5.7
46 4 0 -3 23.753 47.505 1.91237 32.0 5.4 5.3 5.7
47 2 6 0 24.066 48.131 1.88896 13.5 2.3 2.2 5.7
48 3 3 1 24.141 48.281 1.88342 8.8 1.5 1.5 5.7
49 1 1 3 24.574 49.148 1.85223 36.8 6.2 6.1 5.7
50 4 2 0 24.66 49.319 1.84619 14.7 2.5 2.4 5.7
51 1 5 2 24.77 49.54 1.83848 10.4 1.8 1.7 5.7
52 4 2 -3 24.825 49.649 1.83469 11.2 1.9 1.8 5.7
53 3 5 0 24.933 49.867 1.82719 21.8 3.7 3.6 5.7
54 2 6 -2 25.196 50.392 1.80937 23.9 4.0 3.9 5.8
55 0 6 2 25.339 50.677 1.79986 55.0 9.2 9.0 5.8
56 2 0 -4 25.377 50.754 1.7973 129.2 21.7 21.2 5.8
57 0 4 3 25.409 50.818 1.7952 57.6 9.7 9.5 5.8
58 4 4 -1 25.729 51.458 1.77436 36.2 6.1 5.9 5.8
59 4 4 -2 25.783 51.565 1.77093 14.5 2.4 2.4 5.8
60 2 4 2 26.201 52.403 1.74458 23.7 4.0 3.9 5.8
61 1 3 3 26.637 53.274 1.71809 10.0 1.7 1.6 5.8
62 5 1 -2 26.967 53.933 1.69864 12.6 2.1 2.1 5.8
63 3 5 -3 27.37 54.74 1.67549 34.3 5.8 5.6 5.8
64 1 7 -2 27.819 55.638 1.65055 20.8 3.5 3.4 5.8
65 3 5 1 28.206 56.411 1.62975 45.5 7.6 7.4 5.8
66 0 8 0 28.281 56.562 1.62575 19.3 3.2 3.1 5.8
67 1 3 -4 28.465 56.93 1.61612 6.6 1.1 1.1 5.8
68 4 2 -4 28.922 57.843 1.59276 34.8 5.8 5.7 5.8
69 0 2 4 29.438 58.877 1.56724 35.6 6.0 5.8 5.8
70 2 2 3 29.663 59.326 1.55644 9.2 1.6 1.5 5.8
71 5 3 -3 30.157 60.315 1.53327 43.8 7.4 7.1 5.8
72 0 6 3 30.281 60.562 1.5276 11.9 2.0 1.9 5.8
73 4 6 -1 30.566 61.133 1.5147 43.1 7.2 7.0 5.8
74 2 8 0 30.95 61.901 1.49774 126.2 21.2 20.4 5.8
75 5 1 -4 31.4 62.8 1.47843 18.2 3.1 2.9 5.9
76 1 7 -3 31.847 63.693 1.45984 15.9 2.7 2.6 5.9
77 2 8 -2 31.913 63.826 1.45713 7.0 1.2 1.1 5.9
78 5 3 0 32.053 64.105 1.45144 28.0 4.7 4.5 5.9
79 1 1 4 32.137 64.275 1.44803 28.1 4.7 4.5 5.9
80 4 6 0 32.35 64.7 1.43954 10.4 1.8 1.7 5.9
81 2 4 3 32.394 64.788 1.43779 49.3 8.3 7.9 5.9
82 4 6 -3 32.489 64.977 1.43406 11.7 2.0 1.9 5.9
83 5 5 -2 32.571 65.142 1.43083 16.1 2.7 2.6 5.9
84 6 0 -2 32.658 65.316 1.42744 38.2 6.4 6.1 5.9
85 1 9 0 32.842 65.684 1.42032 9.0 1.5 1.4 5.9
86 3 5 2 33.054 66.108 1.41224 7.5 1.3 1.2 5.9
87 4 0 2 33.26 66.521 1.40448 39.7 6.7 6.4 5.9
88 4 0 -5 33.579 67.158 1.3927 15.0 2.5 2.4 5.9
89 5 5 -3 33.741 67.481 1.38681 11.9 2.0 1.9 5.9
90 2 6 -4 33.83 67.66 1.38357 18.7 3.1 3.0 5.9
91 1 3 4 33.897 67.794 1.38117 14.5 2.4 2.3 5.9
92 6 2 -3 34.045 68.091 1.37587 6.4 1.1 1.0 5.9
93 1 1 -5 34.241 68.483 1.36895 7.2 1.2 1.2 5.9
94 4 2 -5 34.446 68.892 1.36182 13.8 2.3 2.2 5.9
95 6 2 -1 34.784 69.569 1.35021 14.4 2.4 2.3 5.9
96 1 9 -2 35.064 70.127 1.34081 33.5 5.6 5.3 5.9
97 6 0 -4 35.429 70.858 1.32877 14.8 2.5 2.4 5.9
98 5 5 0 35.533 71.066 1.32539 6.2 1.0 1.0 5.9
99 1 3 -5 35.951 71.901 1.31204 32.8 5.5 5.2 5.9
100 5 1 -5 36.092 72.184 1.30758 23.3 3.9 3.7 5.9
101 5 3 1 36.168 72.335 1.30523 12.0 2.0 1.9 5.9
102 0 10 0 36.317 72.634 1.3006 8.9 1.5 1.4 6.0
103 2 0 4 36.355 72.711 1.29941 14.8 2.5 2.3 6.0
104 0 8 3 36.42 72.839 1.29744 9.9 1.7 1.6 6.0
105 0 6 4 36.499 72.999 1.295 8.4 1.4 1.3 6.0
106 0 0 5 36.602 73.204 1.29187 6.3 1.1 1.0 6.0
107 4 8 -1 36.68 73.36 1.2895 19.4 3.3 3.1 6.0
108 4 8 -2 36.724 73.447 1.28819 57.0 9.6 9.0 6.0
109 6 0 0 36.876 73.752 1.28361 12.7 2.1 2.0 6.0
110 4 4 -5 36.991 73.981 1.2802 12.8 2.1 2.0 6.0
111 2 8 2 37.067 74.135 1.27794 61.1 10.3 9.7 6.0
112 6 4 -1 37.32 74.639 1.27054 16.3 2.7 2.6 6.0
113 3 9 -2 37.354 74.708 1.26955 14.6 2.5 2.3 6.0
114 0 2 5 37.438 74.876 1.26711 6.1 1.0 1.0 6.0
115 5 7 -2 37.702 75.404 1.25954 14.2 2.4 2.2 6.0
116 5 3 -5 37.766 75.532 1.25772 17.8 3.0 2.8 6.0
117 3 5 -5 37.82 75.639 1.25621 19.8 3.3 3.1 6.0
118 3 5 3 39.234 78.469 1.21785 7.3 1.2 1.1 6.0
119 6 0 -5 39.298 78.596 1.2162 10.0 1.7 1.6 6.0
120 5 5 1 39.489 78.977 1.21128 6.9 1.2 1.1 6.0
121 2 10 -2 39.566 79.132 1.2093 10.4 1.8 1.6 6.0
122 0 10 2 39.678 79.355 1.20645 9.2 1.6 1.4 6.0
123 3 1 -6 40.21 80.419 1.19315 23.0 3.9 3.6 6.0
124 6 6 -2 40.249 80.499 1.19217 6.4 1.1 1.0 6.0
125 2 0 -6 40.754 81.507 1.17995 10.5 1.8 1.6 6.1
126 7 1 -4 40.841 81.681 1.17787 8.2 1.4 1.3 6.1
127 7 3 -3 40.95 81.901 1.17527 10.2 1.7 1.6 6.1
128 7 3 -2 41.082 82.164 1.17217 8.1 1.4 1.3 6.1
129 4 8 -4 41.804 83.608 1.15556 25.5 4.3 3.9 6.1
130 5 1 -6 42.19 84.38 1.14695 16.5 2.8 2.5 6.1
131 0 8 4 42.246 84.493 1.1457 25.3 4.3 3.9 6.1
132 2 10 -3 42.468 84.935 1.14086 9.7 1.6 1.5 6.1
133 1 1 -6 42.852 85.705 1.13258 9.4 1.6 1.5 6.1
134 4 4 3 43.277 86.554 1.12363 19.5 3.3 3.0 6.1
135 1 9 -4 43.837 87.675 1.11213 8.5 1.4 1.3 6.2
136 7 5 -3 44.179 88.359 1.10528 18.0 3.0 2.8 6.2
137 5 9 -2 44.212 88.423 1.10464 13.4 2.2 2.0 6.2
138 7 1 0 44.636 89.273 1.09632 20.3 3.4 3.1 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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