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
5, at 296'K, f-feldspar, sf-Na-K-feldspar
K[AlSi(3)O(8)]
Monoclinic C 2/m Z = 4
R =0.028 NR =910
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 = 8.6 alpha = 90.0
b = 13.005 beta = 116.03
c = 7.193 gamma = 90.0
Unit cell volume (cub. angs.) = 722.88
Molar volume ( cub.cm/mol.) = 108.85
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2841 0.0 0.1375 1.01 K = 0.95, K = 0.0
2 0.0091 0.1848 0.2237 0.5 Si = 0.65, Al = 0.35
3 0.7085 0.1177 0.3437 0.48 Si = 0.85, Al = 0.15
4 0.0 0.1453 0.0 1.08 O = 1.00
5 0.6372 0.0 0.2842 1.29 O = 1.00
6 0.8267 0.1466 0.2261 1.27 O = 1.00
7 0.0341 0.3115 0.2584 1.07 O = 1.00
8 0.1809 0.1256 0.4064 0.99 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2841 0.0 0.1375
2 2 0.0091 0.1848 0.2237
3 3 0.7085 0.1177 0.3437
4 4 0.0 0.1453 0.0
5 5 0.6372 0.0 0.2842
6 6 0.8267 0.1466 0.2261
7 7 0.0341 0.3115 0.2584
8 8 0.1809 0.1256 0.4064
9 1 0.7159 0.0 0.8625
10 2 0.9909 0.8152 0.7763
11 3 0.2915 0.8823 0.6563
12 4 0.0 0.8547 0.0
13 5 0.3628 0.0 0.7158
14 6 0.1733 0.8534 0.7739
15 7 0.9659 0.6885 0.7416
16 8 0.8191 0.8744 0.5936
17 2 0.0091 0.8152 0.2237
18 3 0.7085 0.8823 0.3437
19 6 0.8267 0.8534 0.2261
20 7 0.0341 0.6885 0.2584
21 8 0.1809 0.8744 0.4064
22 2 0.9909 0.1848 0.7763
23 3 0.2915 0.1177 0.6563
24 6 0.1733 0.1466 0.7739
25 7 0.9659 0.3115 0.7416
26 8 0.8191 0.1256 0.5936
27 1 0.7841 0.5 0.1375
28 2 0.5091 0.3152 0.2237
29 3 0.2085 0.3823 0.3437
30 4 0.5 0.3547 0.0
31 5 0.1372 0.5 0.2842
32 6 0.3267 0.3534 0.2261
33 7 0.5341 0.1885 0.2584
34 8 0.6809 0.3744 0.4064
35 1 0.2159 0.5 0.8625
36 2 0.4909 0.6848 0.7763
37 3 0.7915 0.6177 0.6563
38 4 0.5 0.6453 0.0
39 5 0.8628 0.5 0.7158
40 6 0.6733 0.6466 0.7739
41 7 0.4659 0.8115 0.7416
42 8 0.3191 0.6256 0.5936
43 2 0.5091 0.6848 0.2237
44 3 0.2085 0.6177 0.3437
45 6 0.3267 0.6466 0.2261
46 7 0.5341 0.8115 0.2584
47 8 0.6809 0.6256 0.4064
48 2 0.4909 0.3152 0.7763
49 3 0.7915 0.3823 0.6563
50 6 0.6733 0.3534 0.7739
51 7 0.4659 0.1885 0.7416
52 8 0.3191 0.3744 0.5936
X-ray density (g/cm cub.) = 2.54
MU (1/cm) = 121.049 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
2.8978 4
2.7427 5
2.9502 8
2.8978 4
3.0324 6
2.9502 8
3.0324 6
3.1221 7
3.1221 7
2 Si ,Al 2.316 4
1.6579 4
1.6527 6
1.6663 7
1.6729 8
3 Si ,Al 2.316 4
1.6346 5
1.6263 6
1.6266 8
1.6328 7
4 O 3.264 6
2.6446 6
2.781 7
2.6533 8
2.6446 6
2.781 7
2.6533 8
5 O 3.264 6
2.6577 6
2.6481 8
2.6577 6
2.6481 8
2.5857 7
2.5857 7
6 O 3.264 6
2.6446 4
2.6577 5
2.7332 7
2.751 8
2.6867 8
2.6826 7
7 O 3.264 6
2.781 4
2.7332 6
2.7189 8
2.5857 5
2.6826 6
2.7024 8
8 O 3.264 6
2.6533 4
2.751 6
2.7189 7
2.6481 5
2.6867 6
2.7024 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 6.658 13.317 0.075 145.8 4 17.9 35.6
2 0 2 0 6.803 13.606 0.077 139.56 2 29.9 47.8
3 0 0 1 6.845 13.689 0.077 137.86 2 17.5 16.2
4 1 1 -1 7.541 15.081 0.085 113.19 4 26.5 60.7
5 0 2 1 9.674 19.347 0.109 67.91 4 12.6 8.3
6 2 0 -1 10.481 20.963 0.118 57.53 2 132.2 384.7
7 1 1 1 11.252 22.504 0.127 49.64 4 58.2 128.9
8 2 0 0 11.499 22.999 0.129 47.43 2 38.6 27.0
9 1 3 0 11.756 23.511 0.132 45.3 4 115.4 461.5
10 1 3 -1 12.287 24.573 0.138 41.29 4 54.4 93.6
11 2 2 -1 12.538 25.076 0.141 39.57 4 44.9 61.0
12 1 1 -2 12.842 25.685 0.144 37.62 4 102.8 304.1
13 2 2 0 13.409 26.817 0.151 34.34 4 152.5 611.2
14 2 0 -2 13.545 27.089 0.152 33.62 2 165.6 352.9
15 0 4 0 13.705 27.409 0.154 32.79 2 121.6 185.4
16 0 0 2 13.789 27.579 0.155 32.36 2 197.3 482.2
17 1 3 1 14.902 29.805 0.167 27.43 4 130.3 356.4
18 2 2 -2 15.216 30.432 0.17 26.23 4 50.8 51.8
19 0 4 1 15.379 30.758 0.172 25.64 4 87.4 149.9
20 0 2 2 15.436 30.873 0.173 25.43 4 59.1 68.0
21 2 0 1 15.872 31.744 0.178 23.95 2 13.8 1.8
22 3 1 -1 15.987 31.974 0.179 23.58 4 19.7 7.0
23 1 3 -2 16.161 32.321 0.181 23.04 4 84.9 127.1
24 3 1 -2 17.174 34.347 0.192 20.19 4 88.9 122.2
25 2 2 1 17.34 34.68 0.193 19.77 4 36.6 20.3
26 2 4 -1 17.38 34.759 0.194 19.67 4 123.6 230.0
27 1 1 2 17.568 35.136 0.196 19.21 4 62.0 56.5
28 3 1 0 17.749 35.498 0.198 18.79 4 64.2 59.2
29 2 4 0 18.037 36.074 0.201 18.14 4 42.0 24.4
30 1 5 0 18.208 36.417 0.203 17.76 4 2.2 0.1
31 1 5 -1 18.57 37.139 0.207 17.01 4 65.0 55.0
32 3 3 -1 18.806 37.612 0.209 16.54 4 74.7 70.6
33 2 0 -3 18.908 37.817 0.21 16.35 2 13.2 1.1
34 1 1 -3 19.369 38.738 0.215 15.5 4 55.2 36.1
35 2 4 -2 19.459 38.919 0.216 15.34 4 5.1 0.3
36 0 4 2 19.638 39.275 0.218 15.03 4 5.3 0.3
37 3 3 -2 19.845 39.691 0.22 14.69 4 35.6 14.2
38 2 2 -3 20.184 40.367 0.224 14.15 4 24.9 6.7
39 1 3 2 20.195 40.39 0.224 14.13 4 13.2 1.9
40 3 3 0 20.355 40.711 0.226 13.88 4 21.4 4.9
41 1 5 1 20.467 40.934 0.227 13.71 4 50.6 26.9
42 0 6 0 20.817 41.633 0.231 13.2 2 171.7 149.1
43 3 1 -3 20.871 41.741 0.231 13.13 4 14.7 2.2
44 0 0 3 20.948 41.897 0.232 13.02 2 24.6 3.0
45 2 4 1 21.213 42.427 0.235 12.66 4 80.9 63.4
46 4 0 -1 21.259 42.518 0.235 12.6 2 64.6 20.1
47 4 0 -2 21.336 42.672 0.236 12.49 2 78.9 29.7
48 1 5 -2 21.439 42.878 0.237 12.36 4 2.1 0.0
49 1 3 -3 21.812 43.624 0.241 11.89 4 23.9 5.2
50 2 0 2 21.829 43.657 0.241 11.87 2 56.2 14.3
51 3 1 1 21.841 43.683 0.241 11.85 4 39.8 14.4
52 0 6 1 22.014 44.027 0.243 11.65 4 60.4 32.6
53 0 2 3 22.126 44.252 0.244 11.51 4 3.4 0.1
54 4 2 -1 22.423 44.847 0.248 11.17 4 13.0 1.4
55 4 2 -2 22.497 44.994 0.248 11.09 4 99.7 84.4
56 2 2 2 22.97 45.94 0.253 10.58 4 95.6 74.0
57 3 3 -3 23.184 46.368 0.256 10.36 4 50.2 20.0
58 4 0 0 23.498 46.996 0.259 10.05 2 136.5 71.7
59 2 6 -1 23.53 47.06 0.259 10.02 4 25.7 5.1
60 3 5 -1 23.582 47.164 0.26 9.97 4 50.0 19.1
61 2 4 -3 23.667 47.335 0.261 9.89 4 3.5 0.1
62 4 0 -3 23.709 47.419 0.261 9.85 2 99.4 37.2
63 2 6 0 24.046 48.093 0.264 9.54 4 45.0 14.8
64 3 3 1 24.08 48.161 0.265 9.51 4 38.9 11.0
65 3 5 -2 24.455 48.91 0.269 9.18 4 21.8 3.3
66 1 1 3 24.544 49.088 0.27 9.1 4 79.1 43.6
67 4 2 0 24.578 49.157 0.27 9.07 4 46.3 14.9
68 1 5 2 24.752 49.504 0.272 8.93 4 42.1 12.1
69 4 2 -3 24.783 49.566 0.272 8.9 4 37.5 9.6
70 3 5 0 24.889 49.778 0.273 8.82 4 55.8 21.0
71 2 6 -2 25.189 50.378 0.276 8.58 4 63.3 26.3
72 1 7 0 25.241 50.481 0.277 8.54 4 9.7 0.6
73 0 6 2 25.335 50.67 0.278 8.47 4 95.7 59.4
74 2 0 -4 25.37 50.74 0.278 8.44 2 209.1 141.3
75 0 4 3 25.398 50.796 0.278 8.42 4 96.8 60.4
76 1 7 -1 25.52 51.04 0.28 8.33 4 11.7 0.9
77 4 4 -1 25.666 51.333 0.281 8.22 4 79.7 39.9
78 4 4 -2 25.733 51.465 0.282 8.17 4 52.2 17.1
79 1 5 -3 26.146 52.293 0.286 7.88 4 1.7 0.0
80 2 4 2 26.161 52.322 0.286 7.87 4 66.1 26.4
81 3 1 -4 26.21 52.42 0.287 7.84 4 8.5 0.4
82 2 2 -4 26.394 52.787 0.289 7.72 4 1.4 0.0
83 1 1 -4 26.492 52.985 0.29 7.65 4 31.0 5.6
84 1 3 3 26.609 53.218 0.291 7.57 4 42.7 10.6
85 2 6 1 26.643 53.286 0.291 7.55 4 6.7 0.3
86 5 1 -2 26.883 53.765 0.294 7.4 4 48.6 13.4
87 1 7 1 27.025 54.05 0.295 7.31 4 24.6 3.4
88 3 5 -3 27.353 54.706 0.298 7.11 4 84.4 38.8
89 3 1 2 27.436 54.872 0.299 7.06 4 26.8 3.9
90 5 1 -1 27.553 55.107 0.3 7.0 4 23.2 2.9
91 4 0 1 27.617 55.233 0.301 6.96 2 8.9 0.2
92 4 4 0 27.632 55.264 0.301 6.95 4 23.2 2.9
93 1 7 -2 27.819 55.639 0.303 6.85 4 64.0 21.4
94 4 4 -3 27.821 55.641 0.303 6.84 4 4.8 0.1
95 4 0 -4 27.931 55.861 0.304 6.78 2 28.8 2.2
96 3 5 1 28.152 56.304 0.306 6.66 4 93.2 44.3
97 3 3 -4 28.188 56.376 0.307 6.64 4 34.1 5.9
98 5 1 -3 28.202 56.404 0.307 6.64 4 40.6 8.4
99 0 8 0 28.284 56.567 0.308 6.59 2 71.2 12.8
100 1 3 -4 28.457 56.914 0.309 6.5 4 33.8 5.7
101 0 0 4 28.47 56.941 0.309 6.5 2 23.2 1.3
102 4 2 1 28.584 57.168 0.311 6.44 4 26.6 3.5
103 2 0 3 28.667 57.334 0.311 6.4 2 44.5 4.9
104 2 6 -3 28.747 57.494 0.312 6.36 4 19.4 1.8
105 5 3 -2 28.829 57.658 0.313 6.31 4 3.0 0.0
106 4 2 -4 28.891 57.782 0.314 6.28 4 90.8 39.6
107 0 8 1 29.248 58.496 0.317 6.11 4 34.0 5.4
108 2 4 -4 29.314 58.629 0.318 6.08 4 25.3 3.0
109 3 3 2 29.358 58.717 0.318 6.06 4 13.0 0.8
110 0 2 4 29.42 58.839 0.319 6.03 4 93.1 40.0
111 5 3 -1 29.47 58.941 0.319 6.01 4 26.1 3.1
112 2 2 3 29.612 59.224 0.321 5.94 4 46.0 9.6
113 3 7 -1 29.618 59.236 0.321 5.94 4 15.4 1.1
114 5 3 -3 30.093 60.185 0.325 5.73 4 107.3 50.6
115 5 1 0 30.126 60.251 0.326 5.72 4 17.7 1.4
116 0 6 3 30.272 60.544 0.327 5.66 4 58.3 14.7
117 3 7 -2 30.367 60.735 0.328 5.62 4 23.9 2.5
118 1 5 3 30.444 60.888 0.329 5.59 4 37.8 6.1
119 2 8 -1 30.501 61.003 0.329 5.56 4 27.2 3.1
120 4 6 -1 30.511 61.022 0.33 5.56 4 108.9 50.5
121 4 6 -2 30.57 61.14 0.33 5.54 4 5.5 0.1
122 1 7 2 30.625 61.249 0.331 5.51 4 18.8 1.5
123 3 7 0 30.743 61.487 0.332 5.47 4 13.9 0.8
124 2 8 0 30.935 61.87 0.334 5.39 4 184.9 141.1
125 2 6 2 30.954 61.908 0.334 5.39 4 23.1 2.2
126 5 1 -4 31.347 62.694 0.338 5.24 4 72.9 21.3
127 4 4 1 31.372 62.743 0.338 5.23 4 33.5 4.5
128 4 4 -4 31.662 63.324 0.341 5.12 4 0.3 0.0
129 1 7 -3 31.845 63.69 0.342 5.06 4 68.6 18.2
130 3 5 -4 31.901 63.801 0.343 5.04 4 10.8 0.4
131 2 8 -2 31.908 63.816 0.343 5.04 4 43.0 7.1
132 5 3 0 31.946 63.892 0.343 5.02 4 75.8 22.1
133 0 8 2 32.033 64.066 0.344 4.99 4 48.0 8.8
134 1 1 4 32.101 64.201 0.345 4.97 4 80.9 24.9
135 1 5 -4 32.151 64.301 0.345 4.96 4 38.2 5.5
136 0 4 4 32.163 64.326 0.346 4.95 4 3.5 0.0
137 4 6 0 32.283 64.566 0.347 4.91 4 61.1 14.0
138 2 4 3 32.346 64.692 0.347 4.89 4 122.1 55.8
139 4 6 -3 32.455 64.91 0.348 4.86 4 60.4 13.6
140 5 5 -2 32.497 64.994 0.349 4.84 4 63.7 15.1
141 6 0 -2 32.544 65.088 0.349 4.83 2 157.5 45.8
142 2 0 -5 32.618 65.235 0.35 4.8 2 41.5 3.2
143 3 1 -5 32.684 65.369 0.351 4.78 4 33.5 4.1
144 1 9 0 32.841 65.681 0.352 4.73 4 53.7 10.4
145 3 7 -3 32.917 65.834 0.353 4.71 4 18.0 1.2
146 3 5 2 32.991 65.983 0.353 4.69 4 35.3 4.5
147 6 0 -3 33.076 66.152 0.354 4.66 2 27.7 1.4
148 1 9 -1 33.078 66.155 0.354 4.66 4 21.9 1.7
149 5 5 -1 33.096 66.193 0.354 4.66 4 3.1 0.0
150 5 3 -4 33.129 66.258 0.355 4.65 4 11.3 0.5
151 4 0 2 33.161 66.321 0.355 4.64 2 161.0 46.0
152 2 8 1 33.168 66.337 0.355 4.63 4 8.8 0.3
153 6 2 -2 33.424 66.848 0.358 4.56 4 4.9 0.1
154 2 2 -5 33.497 66.994 0.358 4.54 4 1.4 0.0
155 4 0 -5 33.555 67.11 0.359 4.52 2 97.5 16.5
156 3 7 1 33.635 67.27 0.36 4.5 4 27.7 2.6
157 5 5 -3 33.68 67.36 0.36 4.49 4 66.3 15.1
158 6 0 -1 33.792 67.584 0.361 4.46 2 56.7 5.5
159 2 6 -4 33.825 67.651 0.361 4.45 4 81.3 22.5
160 1 3 4 33.862 67.723 0.362 4.44 4 51.1 8.9
161 6 2 -3 33.949 67.898 0.363 4.41 4 46.2 7.2
162 4 2 2 34.033 68.066 0.363 4.39 4 20.4 1.4
163 3 1 3 34.117 68.234 0.364 4.37 4 24.1 1.9
164 1 1 -5 34.228 68.455 0.365 4.34 4 48.5 7.8
165 5 1 1 34.342 68.683 0.366 4.31 4 12.4 0.5
166 1 9 1 34.371 68.743 0.366 4.3 4 0.3 0.0
167 4 2 -5 34.423 68.845 0.367 4.29 4 68.4 15.3
168 3 3 -5 34.43 68.86 0.367 4.29 4 15.9 0.8
169 6 2 -1 34.656 69.313 0.369 4.23 4 73.2 17.4
170 2 8 -3 35.033 70.066 0.373 4.14 4 36.8 4.3
171 1 9 -2 35.065 70.13 0.373 4.13 4 107.1 36.3
172 6 0 -4 35.348 70.695 0.376 4.06 2 105.4 17.3
173 5 5 0 35.432 70.864 0.376 4.04 4 44.2 6.0
174 1 7 3 35.725 71.451 0.379 3.98 4 36.7 4.1
175 4 6 1 35.739 71.479 0.379 3.98 4 28.2 2.4
176 3 3 3 35.829 71.658 0.38 3.96 4 11.9 0.4
177 1 3 -5 35.937 71.875 0.381 3.93 4 112.7 38.2
178 6 4 -2 36.001 72.003 0.382 3.92 4 36.7 4.0
179 4 6 -4 36.012 72.024 0.382 3.92 4 12.9 0.5
180 5 3 1 36.049 72.098 0.382 3.91 4 69.4 14.4
181 5 1 -5 36.05 72.1 0.382 3.91 4 60.8 11.1
182 2 4 -5 36.072 72.144 0.382 3.9 4 63.7 12.1
183 6 2 -4 36.195 72.391 0.383 3.88 4 18.3 1.0
184 2 0 4 36.295 72.59 0.384 3.86 2 107.0 16.9
185 0 10 0 36.32 72.64 0.384 3.85 2 83.5 10.3
186 0 8 3 36.412 72.824 0.385 3.83 4 59.1 10.2
187 0 6 4 36.484 72.967 0.386 3.82 4 55.7 9.1
188 6 4 -3 36.509 73.019 0.386 3.81 4 26.5 2.1
189 5 5 -4 36.56 73.121 0.387 3.8 4 24.4 1.7
190 0 0 5 36.575 73.151 0.387 3.8 2 49.2 3.5
191 4 4 2 36.59 73.181 0.387 3.8 4 49.9 7.2
192 4 8 -1 36.63 73.261 0.387 3.79 4 52.9 8.1
193 2 6 3 36.656 73.312 0.388 3.79 4 44.7 5.8
194 3 9 -1 36.661 73.322 0.388 3.78 4 3.1 0.0
195 4 8 -2 36.684 73.369 0.388 3.78 4 154.2 68.8
196 6 0 0 36.732 73.464 0.388 3.77 2 103.0 15.3
197 4 4 -5 36.968 73.937 0.39 3.73 4 75.8 16.4
198 2 8 2 37.036 74.071 0.391 3.71 4 158.4 71.3
199 3 7 -4 37.076 74.152 0.391 3.71 4 4.1 0.0
200 2 2 4 37.134 74.268 0.392 3.69 4 26.2 1.9
201 0 10 1 37.169 74.338 0.392 3.69 4 3.8 0.0
202 6 4 -1 37.195 74.391 0.392 3.68 4 83.4 19.6
203 1 5 4 37.263 74.525 0.393 3.67 4 8.2 0.2
204 1 7 -4 37.309 74.618 0.393 3.66 4 14.2 0.6
205 3 9 -2 37.336 74.673 0.394 3.66 4 76.0 16.2
206 0 2 5 37.412 74.824 0.394 3.64 4 51.7 7.5
207 6 2 0 37.567 75.134 0.396 3.62 4 51.4 7.3
208 1 9 2 37.569 75.139 0.396 3.62 4 33.9 3.2
209 5 7 -2 37.633 75.267 0.396 3.61 4 48.3 6.4
210 3 9 0 37.677 75.354 0.397 3.6 4 31.8 2.8
211 5 3 -5 37.725 75.45 0.397 3.59 4 88.0 21.3
212 3 5 -5 37.809 75.618 0.398 3.58 4 92.0 23.2
213 3 7 2 38.097 76.195 0.401 3.53 4 47.6 6.1
214 5 7 -1 38.196 76.392 0.401 3.51 4 22.1 1.3
215 4 8 0 38.263 76.525 0.402 3.5 4 30.4 2.5
216 2 10 -1 38.287 76.574 0.402 3.5 4 25.0 1.7
217 4 8 -3 38.422 76.845 0.403 3.48 4 35.0 3.3
218 2 10 0 38.678 77.356 0.406 3.44 4 3.6 0.0
219 1 9 -3 38.683 77.366 0.406 3.44 4 19.9 1.0
220 6 4 -4 38.695 77.389 0.406 3.43 4 31.2 2.6
221 5 7 -3 38.747 77.494 0.406 3.43 4 10.0 0.3
222 3 5 3 39.161 78.321 0.41 3.37 4 59.2 9.0
223 7 1 -3 39.187 78.374 0.41 3.36 4 21.4 1.2
224 6 0 -5 39.23 78.46 0.411 3.36 2 72.8 6.8
225 1 5 -5 39.266 78.531 0.411 3.35 4 39.9 4.1
226 7 1 -2 39.302 78.604 0.411 3.35 4 32.5 2.7
227 5 5 1 39.374 78.747 0.412 3.34 4 55.5 7.9
228 2 10 -2 39.562 79.125 0.413 3.31 4 69.2 12.1
229 2 4 4 39.613 79.226 0.414 3.3 4 15.7 0.6
230 3 9 -3 39.674 79.347 0.414 3.3 4 24.4 1.5
231 0 10 2 39.677 79.354 0.414 3.3 4 57.5 8.3
232 2 8 -4 39.704 79.409 0.415 3.29 4 30.6 2.4
233 0 4 5 39.885 79.77 0.416 3.27 4 50.7 6.4
234 4 0 3 39.927 79.853 0.417 3.26 2 49.1 3.0
235 5 1 2 39.988 79.977 0.417 3.26 4 29.3 2.1
236 6 4 0 40.037 80.075 0.418 3.25 4 47.8 5.7
237 6 2 -5 40.048 80.097 0.418 3.25 4 32.9 2.7
238 6 6 -2 40.145 80.291 0.419 3.24 4 56.9 8.0
239 3 1 -6 40.197 80.394 0.419 3.23 4 90.8 20.4
240 2 6 -5 40.213 80.427 0.419 3.23 4 59.4 8.7
241 3 9 1 40.342 80.684 0.42 3.21 4 8.8 0.2
242 4 0 -6 40.399 80.799 0.421 3.21 2 10.0 0.1
243 5 7 0 40.414 80.827 0.421 3.2 4 21.1 1.1
244 1 1 5 40.434 80.868 0.421 3.2 4 39.6 3.8
245 6 6 -3 40.636 81.273 0.423 3.18 4 38.6 3.6
246 4 6 2 40.715 81.43 0.423 3.17 4 43.9 4.7
247 2 10 1 40.722 81.444 0.423 3.17 4 42.0 4.3
248 7 1 -4 40.726 81.451 0.424 3.17 4 50.9 6.3
249 2 0 -6 40.741 81.481 0.424 3.17 2 62.4 4.7
250 4 2 3 40.741 81.483 0.424 3.17 4 41.4 4.1
251 7 3 -3 40.82 81.64 0.424 3.16 4 75.1 13.6
252 7 3 -2 40.934 81.868 0.425 3.15 4 51.0 6.3
253 5 5 -5 41.006 82.012 0.426 3.14 4 6.4 0.1
254 7 1 -1 41.068 82.135 0.426 3.13 4 0.3 0.0
255 4 6 -5 41.081 82.162 0.427 3.13 4 22.4 1.2
256 4 2 -6 41.212 82.424 0.428 3.12 4 11.4 0.3
257 1 11 0 41.232 82.463 0.428 3.11 4 5.8 0.1
258 6 0 1 41.233 82.467 0.428 3.11 2 50.4 3.0
259 6 6 -1 41.301 82.603 0.428 3.11 4 10.4 0.3
260 1 11 -1 41.45 82.9 0.43 3.09 4 31.0 2.3
261 5 7 -4 41.497 82.994 0.43 3.09 4 45.6 4.9
262 4 8 1 41.519 83.039 0.43 3.08 4 48.8 5.6
263 2 2 -6 41.552 83.104 0.431 3.08 4 15.5 0.6
264 5 3 2 41.614 83.228 0.431 3.07 4 36.6 3.2
265 4 8 -4 41.78 83.56 0.432 3.06 4 111.5 29.1
266 3 3 -6 41.821 83.642 0.433 3.05 4 26.2 1.6
267 3 1 4 41.859 83.718 0.433 3.05 4 35.6 3.0
268 6 2 1 42.043 84.086 0.435 3.03 4 33.1 2.5
269 1 3 5 42.056 84.113 0.435 3.03 4 4.2 0.0
270 5 1 -6 42.155 84.309 0.436 3.02 4 75.8 13.3
271 1 7 4 42.176 84.351 0.436 3.02 4 42.8 4.2
272 0 8 4 42.232 84.464 0.436 3.02 4 113.5 29.8
273 1 9 3 42.315 84.629 0.437 3.01 4 13.7 0.4
274 7 3 -4 42.346 84.691 0.437 3.01 4 33.6 2.6
275 2 8 3 42.398 84.796 0.438 3.0 4 18.2 0.8
276 2 10 -3 42.466 84.931 0.438 3.0 4 55.0 7.0
277 6 4 -5 42.482 84.963 0.438 3.0 4 35.1 2.8
278 1 11 1 42.651 85.302 0.44 2.98 4 29.1 1.9
279 7 3 -1 42.685 85.371 0.44 2.98 4 32.7 2.4
280 3 7 -5 42.706 85.412 0.44 2.98 4 36.2 3.0
281 6 6 -4 42.763 85.526 0.441 2.97 4 46.5 4.9
282 1 1 -6 42.832 85.663 0.441 2.97 4 50.5 5.8
283 4 4 3 43.168 86.336 0.444 2.94 4 103.7 24.2
284 1 11 -2 43.302 86.604 0.445 2.93 4 2.7 0.0
285 3 3 4 43.473 86.946 0.447 2.92 4 17.2 0.7
286 3 9 -4 43.608 87.216 0.448 2.91 4 5.7 0.1
287 4 4 -6 43.635 87.269 0.448 2.91 4 29.0 1.9
288 2 6 4 43.664 87.328 0.448 2.91 4 46.7 4.9
289 5 3 -6 43.767 87.534 0.449 2.9 4 2.9 0.0
290 0 10 3 43.776 87.552 0.449 2.9 4 9.3 0.2
291 1 9 -4 43.833 87.666 0.45 2.9 4 68.5 10.4
292 7 1 -5 43.883 87.767 0.45 2.89 4 14.7 0.5
293 0 6 5 43.932 87.864 0.45 2.89 4 24.5 1.3
294 2 4 -6 43.972 87.944 0.451 2.89 4 3.6 0.0
295 4 10 -1 43.985 87.969 0.451 2.89 4 2.4 0.0
296 3 7 3 44.025 88.05 0.451 2.88 4 38.4 3.3
297 4 10 -2 44.037 88.073 0.451 2.88 4 13.0 0.4
298 7 5 -3 44.051 88.101 0.451 2.88 4 101.3 22.6
299 6 6 0 44.082 88.164 0.452 2.88 4 53.0 6.2
300 1 7 -5 44.128 88.255 0.452 2.88 4 1.8 0.0
301 5 9 -2 44.146 88.293 0.452 2.88 4 66.4 9.7
302 7 5 -2 44.163 88.327 0.452 2.87 4 12.2 0.3
303 5 7 1 44.234 88.467 0.453 2.87 4 27.9 1.7
304 2 10 2 44.374 88.748 0.454 2.86 4 22.7 1.1
305 1 3 -6 44.442 88.884 0.454 2.86 4 14.6 0.5
306 7 1 0 44.448 88.895 0.455 2.86 4 78.2 13.4
307 6 4 1 44.46 88.92 0.455 2.86 4 66.1 9.6
308 3 9 2 44.596 89.192 0.456 2.85 4 32.8 2.3
309 6 0 -6 44.636 89.272 0.456 2.85 2 8.3 0.1
310 5 9 -1 44.692 89.384 0.457 2.84 4 11.0 0.3
311 3 11 -1 44.818 89.637 0.458 2.84 4 21.7 1.0
312 5 5 2 44.838 89.676 0.458 2.84 4 48.3 5.1
313 2 0 5 44.947 89.895 0.459 2.83 2 48.1 2.5
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 6.658 13.317 6.64333 35.6 5.8 5.9 5.6
2 0 2 0 6.803 13.606 6.5025 47.8 7.8 7.9 5.6
3 0 0 1 6.845 13.689 6.46337 16.2 2.7 2.7 5.6
4 1 1 -1 7.541 15.081 5.86981 60.7 9.9 10.0 5.6
5 0 2 1 9.674 19.347 4.58407 8.3 1.4 1.4 5.6
6 2 0 -1 10.481 20.963 4.23425 384.7 62.9 63.2 5.6
7 1 1 1 11.252 22.504 3.94766 128.9 21.1 21.2 5.6
8 2 0 0 11.499 22.999 3.86383 27.0 4.4 4.4 5.6
9 1 3 0 11.756 23.511 3.78075 461.5 75.5 75.7 5.6
10 1 3 -1 12.287 24.573 3.61966 93.6 15.3 15.3 5.6
11 2 2 -1 12.538 25.076 3.54828 61.0 10.0 10.0 5.6
12 1 1 -2 12.842 25.685 3.46554 304.1 49.8 49.8 5.6
13 2 2 0 13.409 26.817 3.32166 611.2 100.0 100.0 5.6
14 2 0 -2 13.545 27.089 3.28897 352.9 57.7 57.7 5.6
15 0 4 0 13.705 27.409 3.25125 185.4 30.3 30.3 5.6
16 0 0 2 13.789 27.579 3.23169 482.2 78.9 78.8 5.6
17 1 3 1 14.902 29.805 2.99518 356.4 58.3 58.2 5.6
18 2 2 -2 15.216 30.432 2.93491 51.8 8.5 8.5 5.6
19 0 4 1 15.379 30.758 2.90448 149.9 24.5 24.4 5.6
20 0 2 2 15.436 30.873 2.89398 68.0 11.1 11.1 5.6
21 3 1 -1 15.987 31.974 2.79678 7.0 1.1 1.1 5.6
22 1 3 -2 16.161 32.321 2.76749 127.1 20.8 20.7 5.6
23 3 1 -2 17.174 34.347 2.60873 122.2 20.0 19.9 5.7
24 2 2 1 17.34 34.68 2.58444 20.3 3.3 3.3 5.7
25 2 4 -1 17.38 34.759 2.57874 230.0 37.6 37.4 5.7
26 1 1 2 17.568 35.136 2.55194 56.5 9.2 9.2 5.7
27 3 1 0 17.749 35.498 2.5268 59.2 9.7 9.6 5.7
28 2 4 0 18.037 36.074 2.48771 24.4 4.0 4.0 5.7
29 1 5 -1 18.57 37.139 2.41878 55.0 9.0 8.9 5.7
30 3 3 -1 18.806 37.612 2.38946 70.6 11.6 11.4 5.7
31 1 1 -3 19.369 38.738 2.32257 36.1 5.9 5.8 5.7
32 3 3 -2 19.845 39.691 2.26897 14.2 2.3 2.3 5.7
33 2 2 -3 20.184 40.367 2.23251 8.6 1.4 1.4 5.7
34 1 5 1 20.467 40.934 2.20288 26.9 4.4 4.3 5.7
35 0 6 0 20.817 41.633 2.1675 149.1 24.4 24.1 5.7
36 2 4 1 21.213 42.427 2.12878 63.4 10.4 10.2 5.7
37 4 0 -1 21.259 42.518 2.12439 20.1 3.3 3.2 5.7
38 4 0 -2 21.336 42.672 2.11713 29.7 4.9 4.8 5.7
39 2 0 2 21.829 43.657 2.07157 33.9 5.6 5.5 5.7
40 0 6 1 22.014 44.027 2.05502 32.6 5.3 5.2 5.7
41 4 2 -2 22.497 44.994 2.01311 84.4 13.8 13.6 5.7
42 2 2 2 22.97 45.94 1.97383 74.0 12.1 11.9 5.7
43 3 3 -3 23.184 46.368 1.9566 20.0 3.3 3.2 5.7
44 4 0 0 23.498 46.996 1.93191 71.7 11.7 11.5 5.7
45 3 5 -1 23.582 47.164 1.9254 19.1 3.1 3.1 5.7
46 4 0 -3 23.709 47.419 1.91565 37.2 6.1 6.0 5.7
47 2 6 0 24.046 48.093 1.89037 14.8 2.4 2.4 5.7
48 3 3 1 24.08 48.161 1.88787 11.0 1.8 1.8 5.7
49 1 1 3 24.544 49.088 1.85435 43.6 7.1 7.0 5.7
50 4 2 0 24.578 49.157 1.85191 14.9 2.4 2.4 5.7
51 1 5 2 24.752 49.504 1.83973 12.1 2.0 1.9 5.7
52 4 2 -3 24.783 49.566 1.83756 9.6 1.6 1.5 5.7
53 3 5 0 24.889 49.778 1.83024 21.0 3.4 3.4 5.7
54 2 6 -2 25.189 50.378 1.80983 26.3 4.3 4.2 5.8
55 0 6 2 25.335 50.67 1.80011 59.4 9.7 9.5 5.8
56 2 0 -4 25.37 50.74 1.79778 201.7 33.0 32.2 5.8
57 4 4 -1 25.666 51.333 1.77841 39.9 6.5 6.4 5.8
58 4 4 -2 25.733 51.465 1.77414 17.1 2.8 2.7 5.8
59 2 4 2 26.161 52.322 1.74707 26.4 4.3 4.2 5.8
60 1 3 3 26.609 53.218 1.71976 10.6 1.7 1.7 5.8
61 5 1 -2 26.883 53.765 1.70354 13.4 2.2 2.1 5.8
62 3 5 -3 27.353 54.706 1.67644 38.8 6.3 6.2 5.8
63 1 7 -2 27.819 55.639 1.65054 21.6 3.5 3.4 5.8
64 3 5 1 28.152 56.304 1.6326 44.3 7.2 7.0 5.8
65 5 1 -3 28.202 56.404 1.62993 14.3 2.3 2.3 5.8
66 0 8 0 28.284 56.567 1.62563 12.8 2.1 2.0 5.8
67 1 3 -4 28.457 56.914 1.61654 7.0 1.2 1.1 5.8
68 4 2 -4 28.891 57.782 1.59429 39.6 6.5 6.3 5.8
69 0 2 4 29.42 58.839 1.56815 40.0 6.6 6.3 5.8
70 2 2 3 29.612 59.224 1.55888 10.7 1.7 1.7 5.8
71 5 3 -3 30.093 60.185 1.53626 50.6 8.3 8.0 5.8
72 0 6 3 30.272 60.544 1.52802 14.7 2.4 2.3 5.8
73 4 6 -1 30.511 61.022 1.51718 53.6 8.8 8.4 5.8
74 2 8 0 30.935 61.87 1.49841 143.3 23.4 22.6 5.8
75 5 1 -4 31.347 62.694 1.48069 25.8 4.2 4.1 5.8
76 1 7 -3 31.845 63.69 1.45992 18.2 3.0 2.9 5.9
77 2 8 -2 31.908 63.816 1.45733 7.1 1.2 1.1 5.9
78 5 3 0 31.946 63.892 1.45578 22.1 3.6 3.5 5.9
79 0 8 2 32.033 64.066 1.45224 8.8 1.4 1.4 5.9
80 1 1 4 32.101 64.201 1.4495 24.9 4.1 3.9 5.9
81 4 6 0 32.283 64.566 1.4422 14.0 2.3 2.2 5.9
82 2 4 3 32.346 64.692 1.43969 55.8 9.1 8.7 5.9
83 4 6 -3 32.455 64.91 1.43539 13.6 2.2 2.1 5.9
84 5 5 -2 32.497 64.994 1.43372 15.1 2.5 2.4 5.9
85 6 0 -2 32.544 65.088 1.43189 45.8 7.5 7.2 5.9
86 1 9 0 32.841 65.681 1.42038 10.4 1.7 1.6 5.9
87 4 0 2 33.161 66.321 1.40822 46.3 7.6 7.2 5.9
88 4 0 -5 33.555 67.11 1.39357 16.5 2.7 2.6 5.9
89 5 5 -3 33.68 67.36 1.38901 15.1 2.5 2.4 5.9
90 2 6 -4 33.825 67.651 1.38375 22.5 3.7 3.5 5.9
91 1 3 4 33.862 67.723 1.38244 8.9 1.4 1.4 5.9
92 6 2 -3 33.949 67.898 1.3793 7.2 1.2 1.1 5.9
93 1 1 -5 34.228 68.455 1.36943 7.8 1.3 1.2 5.9
94 4 2 -5 34.423 68.845 1.36263 16.2 2.6 2.5 5.9
95 6 2 -1 34.656 69.313 1.35457 17.4 2.8 2.7 5.9
96 1 9 -2 35.065 70.13 1.34078 36.3 5.9 5.6 5.9
97 6 0 -4 35.348 70.695 1.33143 17.3 2.8 2.7 5.9
98 1 7 3 35.725 71.451 1.3192 6.5 1.1 1.0 5.9
99 1 3 -5 35.937 71.875 1.31246 38.2 6.3 5.9 5.9
100 5 3 1 36.049 72.098 1.30894 37.6 6.2 5.8 5.9
101 2 0 4 36.295 72.59 1.30127 27.2 4.4 4.2 6.0
102 0 8 3 36.412 72.824 1.29767 10.2 1.7 1.6 6.0
103 0 6 4 36.484 72.967 1.29548 11.1 1.8 1.7 6.0
104 4 4 2 36.59 73.181 1.29222 12.5 2.0 1.9 6.0
105 4 8 -1 36.63 73.261 1.29101 13.9 2.3 2.1 6.0
106 4 8 -2 36.684 73.369 1.28937 68.8 11.3 10.6 6.0
107 6 0 0 36.732 73.464 1.28794 15.3 2.5 2.4 6.0
108 4 4 -5 36.968 73.937 1.28087 16.4 2.7 2.5 6.0
109 2 8 2 37.036 74.071 1.27887 71.3 11.7 11.0 6.0
110 6 4 -1 37.195 74.391 1.27417 19.6 3.2 3.0 6.0
111 3 9 -2 37.336 74.673 1.27005 16.2 2.6 2.5 6.0
112 0 2 5 37.412 74.824 1.26786 7.5 1.2 1.1 6.0
113 6 2 0 37.567 75.134 1.2634 10.5 1.7 1.6 6.0
114 5 7 -2 37.633 75.267 1.2615 6.4 1.1 1.0 6.0
115 5 3 -5 37.725 75.45 1.25889 21.3 3.5 3.3 6.0
116 3 5 -5 37.809 75.618 1.25651 23.2 3.8 3.6 6.0
117 3 7 2 38.097 76.195 1.24843 6.1 1.0 0.9 6.0
118 3 5 3 39.161 78.321 1.21977 10.2 1.7 1.6 6.0
119 6 0 -5 39.23 78.46 1.21796 6.8 1.1 1.0 6.0
120 5 5 1 39.374 78.747 1.21423 7.9 1.3 1.2 6.0
121 2 10 -2 39.562 79.125 1.20939 12.1 2.0 1.8 6.0
122 0 10 2 39.677 79.354 1.20647 12.2 2.0 1.9 6.0
123 0 4 5 39.885 79.77 1.20121 6.4 1.1 1.0 6.0
124 6 4 0 40.037 80.075 1.19741 8.4 1.4 1.3 6.0
125 6 6 -2 40.145 80.291 1.19473 8.0 1.3 1.2 6.0
126 3 1 -6 40.197 80.394 1.19346 29.1 4.8 4.4 6.0
127 2 0 -6 40.741 81.481 1.18026 24.1 3.9 3.7 6.1
128 7 3 -3 40.82 81.64 1.17837 13.6 2.2 2.1 6.1
129 7 3 -2 40.934 81.868 1.17566 6.3 1.0 0.9 6.1
130 4 8 1 41.519 83.039 1.16203 10.5 1.7 1.6 6.1
131 4 8 -4 41.78 83.56 1.1561 29.1 4.8 4.4 6.1
132 5 1 -6 42.155 84.309 1.14773 17.5 2.9 2.6 6.1
133 0 8 4 42.232 84.464 1.14602 29.8 4.9 4.5 6.1
134 2 10 -3 42.466 84.931 1.1409 9.8 1.6 1.5 6.1
135 4 4 3 43.168 86.336 1.12591 24.2 4.0 3.6 6.1
136 2 6 4 43.664 87.328 1.11565 6.7 1.1 1.0 6.2
137 1 9 -4 43.833 87.666 1.11222 10.4 1.7 1.6 6.2
138 7 5 -3 44.051 88.101 1.10785 26.3 4.3 3.9 6.2
139 6 6 0 44.082 88.164 1.10722 6.2 1.0 0.9 6.2
140 5 9 -2 44.146 88.293 1.10594 10.0 1.6 1.5 6.2
141 7 1 0 44.448 88.895 1.09999 22.9 3.8 3.4 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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