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
3, f-feldspar, sf-Na-K-feldspar
KAlSi(3)O(8)
Monoclinic C 2/m Z = 4
R =0.084 NR =750
19 .4 .1988
Ref.Str.:
Colville A.A., Ribbe P.H. (1968)
* Amer. Mineral., 53, 25-37
Reserv:
Adularia.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.561 alpha = 90.0
b = 12.996 beta = 116.1
c = 7.192 gamma = 90.0
Unit cell volume (cub. angs.) = 718.58
Molar volume ( cub.cm/mol.) = 108.21
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2835 0.0 0.1369 0.0 K = 1.00
2 0.0 0.1448 0.0 0.0 O = 1.00
3 0.6354 0.0 0.284 0.0 O = 1.00
4 0.0094 0.1843 0.2247 0.0 Al = 0.25, Si = 0.75
5 0.7079 0.1176 0.3443 0.0 Al = 0.25, Si = 0.75
6 0.8276 0.1448 0.2277 0.0 O = 1.00
7 0.0351 0.3116 0.259 0.0 O = 1.00
8 0.1818 0.1254 0.4075 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2835 0.0 0.1369
2 2 0.0 0.1448 0.0
3 3 0.6354 0.0 0.284
4 4 0.0094 0.1843 0.2247
5 5 0.7079 0.1176 0.3443
6 6 0.8276 0.1448 0.2277
7 7 0.0351 0.3116 0.259
8 8 0.1818 0.1254 0.4075
9 1 0.7165 0.0 0.8631
10 2 0.0 0.8552 0.0
11 3 0.3646 0.0 0.716
12 4 0.9906 0.8157 0.7753
13 5 0.2921 0.8824 0.6557
14 6 0.1724 0.8552 0.7723
15 7 0.9649 0.6884 0.741
16 8 0.8182 0.8746 0.5925
17 4 0.0094 0.8157 0.2247
18 5 0.7079 0.8824 0.3443
19 6 0.8276 0.8552 0.2277
20 7 0.0351 0.6884 0.259
21 8 0.1818 0.8746 0.4075
22 4 0.9906 0.1843 0.7753
23 5 0.2921 0.1176 0.6557
24 6 0.1724 0.1448 0.7723
25 7 0.9649 0.3116 0.741
26 8 0.8182 0.1254 0.5925
27 1 0.7835 0.5 0.1369
28 2 0.5 0.3552 0.0
29 3 0.1354 0.5 0.284
30 4 0.5094 0.3157 0.2247
31 5 0.2079 0.3824 0.3443
32 6 0.3276 0.3552 0.2277
33 7 0.5351 0.1884 0.259
34 8 0.6818 0.3746 0.4075
35 1 0.2165 0.5 0.8631
36 2 0.5 0.6448 0.0
37 3 0.8646 0.5 0.716
38 4 0.4906 0.6843 0.7753
39 5 0.7921 0.6176 0.6557
40 6 0.6724 0.6448 0.7723
41 7 0.4649 0.8116 0.741
42 8 0.3182 0.6254 0.5925
43 4 0.5094 0.6843 0.2247
44 5 0.2079 0.6176 0.3443
45 6 0.3276 0.6448 0.2277
46 7 0.5351 0.8116 0.259
47 8 0.6818 0.6254 0.4075
48 4 0.4906 0.3157 0.7753
49 5 0.7921 0.3824 0.6557
50 6 0.6724 0.3552 0.7723
51 7 0.4649 0.1884 0.741
52 8 0.3182 0.3746 0.5925
X-ray density (g/cm cub.) = 2.57
MU (1/cm) = 124.564 Mass attenuation coefficient (cm**2/g) = 48.433
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.228 9
2.8807 2
2.7186 3
2.9483 8
2.8807 2
3.0212 6
2.9483 8
3.0212 6
3.1211 7
3.1211 7
2 O 3.264 6
2.6433 6
2.7869 7
2.6574 8
2.6433 6
2.7869 7
2.6574 8
3 O 3.264 6
2.6455 6
2.6406 8
2.6455 6
2.6406 8
2.5746 7
2.5746 7
4 Al ,Si 2.316 4
1.6635 2
1.648 6
1.6729 7
1.6689 8
5 Al ,Si 2.316 4
1.6347 3
1.6231 6
1.6141 8
1.6164 7
6 O 3.264 6
2.6433 2
2.6455 3
2.7484 7
2.735 8
2.6719 8
2.6717 7
7 O 3.264 6
2.7869 2
2.7484 6
2.7191 8
2.5746 3
2.6717 6
2.68 8
8 O 3.264 7
2.6574 2
2.735 6
2.7191 7
2.6406 3
3.2594 8
2.6719 6
2.68 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 6.685 13.37 0.076 144.62 4 17.9 35.7
2 0 2 0 6.808 13.616 0.077 139.37 2 24.4 32.1
3 0 0 1 6.85 13.699 0.077 137.65 2 16.2 14.0
4 1 1 -1 7.55 15.099 0.085 112.91 4 23.9 49.8
5 0 2 1 9.681 19.361 0.109 67.81 4 16.3 13.9
6 2 0 -1 10.522 21.045 0.119 57.06 2 130.2 374.4
7 1 1 1 11.284 22.569 0.127 49.34 4 55.9 119.4
8 2 0 0 11.559 23.119 0.13 46.92 2 40.8 30.2
9 1 3 0 11.777 23.553 0.132 45.13 4 118.1 487.5
10 1 3 -1 12.298 24.595 0.138 41.21 4 57.1 103.9
11 2 2 -1 12.575 25.15 0.141 39.33 4 49.3 74.2
12 1 1 -2 12.844 25.689 0.144 37.61 4 107.5 336.6
13 2 2 0 13.463 26.927 0.151 34.05 4 158.2 660.4
14 2 0 -2 13.563 27.125 0.152 33.52 2 171.4 381.3
15 0 4 0 13.714 27.429 0.154 32.74 2 122.0 188.8
16 0 0 2 13.8 27.599 0.155 32.31 2 200.9 505.3
17 1 3 1 14.932 29.864 0.167 27.31 4 135.0 385.5
18 2 2 -2 15.234 30.468 0.171 26.16 4 50.4 51.5
19 0 4 1 15.39 30.78 0.172 25.6 4 91.6 166.2
20 0 2 2 15.448 30.896 0.173 25.39 4 59.4 69.4
21 2 0 1 15.938 31.876 0.178 23.74 2 12.2 1.4
22 3 1 -1 16.061 32.122 0.18 23.35 4 16.6 5.0
23 1 3 -2 16.167 32.333 0.181 23.02 4 91.2 148.2
24 3 1 -2 17.223 34.446 0.192 20.06 4 91.9 131.2
25 2 2 1 17.403 34.807 0.194 19.61 4 38.2 22.2
26 2 4 -1 17.413 34.827 0.194 19.59 4 128.5 250.6
27 1 1 2 17.605 35.209 0.196 19.13 4 66.7 65.9
28 3 1 0 17.84 35.681 0.199 18.58 4 66.6 63.8
29 2 4 0 18.085 36.169 0.201 18.03 4 38.6 20.9
30 1 5 0 18.23 36.46 0.203 17.72 4 1.8 0.0
31 1 5 -1 18.585 37.169 0.207 16.98 4 69.1 62.8
32 3 3 -1 18.874 37.748 0.21 16.41 4 77.1 75.6
33 2 0 -3 18.915 37.83 0.21 16.33 2 7.3 0.3
34 1 1 -3 19.372 38.744 0.215 15.5 4 61.5 45.4
35 2 4 -2 19.479 38.959 0.216 15.31 4 4.8 0.3
36 0 4 2 19.652 39.304 0.218 15.01 4 5.6 0.4
37 3 3 -2 19.893 39.785 0.221 14.61 4 42.1 20.0
38 2 2 -3 20.192 40.383 0.224 14.13 4 27.3 8.2
39 1 3 2 20.231 40.462 0.224 14.07 4 17.3 3.3
40 3 3 0 20.44 40.881 0.227 13.75 4 25.0 6.6
41 1 5 1 20.496 40.992 0.227 13.67 4 56.6 33.9
42 0 6 0 20.832 41.663 0.231 13.18 2 182.4 169.9
43 3 1 -3 20.899 41.798 0.232 13.09 4 13.3 1.8
44 0 0 3 20.965 41.929 0.232 13.0 2 24.0 2.9
45 2 4 1 21.271 42.543 0.235 12.58 4 89.1 77.4
46 4 0 -1 21.37 42.741 0.237 12.45 2 74.3 26.6
47 4 0 -2 21.422 42.845 0.237 12.38 2 87.0 36.3
48 1 5 -2 21.45 42.9 0.237 12.35 4 5.9 0.3
49 1 3 -3 21.818 43.636 0.241 11.88 4 25.2 5.9
50 2 0 2 21.899 43.798 0.242 11.78 2 58.6 15.7
51 3 1 1 21.942 43.884 0.243 11.73 4 48.2 21.2
52 0 6 1 22.03 44.06 0.243 11.63 4 64.8 37.8
53 0 2 3 22.143 44.286 0.245 11.49 4 8.1 0.6
54 4 2 -1 22.532 45.063 0.249 11.05 4 9.2 0.7
55 4 2 -2 22.581 45.163 0.249 11.0 4 106.6 96.8
56 2 2 2 23.039 46.077 0.254 10.51 4 101.5 83.8
57 3 3 -3 23.213 46.426 0.256 10.33 4 56.4 25.4
58 2 6 -1 23.564 47.128 0.259 9.99 4 28.5 6.3
59 4 0 0 23.626 47.253 0.26 9.93 2 142.2 77.7
60 3 5 -1 23.645 47.29 0.26 9.91 4 55.1 23.3
61 2 4 -3 23.679 47.358 0.261 9.88 4 7.0 0.4
62 4 0 -3 23.77 47.54 0.262 9.79 2 109.5 45.5
63 2 6 0 24.091 48.183 0.265 9.5 4 45.6 15.3
64 3 3 1 24.176 48.353 0.266 9.42 4 42.3 13.0
65 3 5 -2 24.501 49.002 0.269 9.14 4 28.8 5.9
66 1 1 3 24.586 49.173 0.27 9.07 4 86.8 52.9
67 4 2 0 24.704 49.408 0.271 8.97 4 45.8 14.6
68 1 5 2 24.788 49.577 0.272 8.9 4 47.2 15.4
69 4 2 -3 24.843 49.687 0.273 8.86 4 37.0 9.4
70 3 5 0 24.967 49.935 0.274 8.76 4 62.0 26.1
71 2 6 -2 25.213 50.426 0.277 8.56 4 68.8 31.4
72 1 7 0 25.266 50.532 0.277 8.52 4 12.6 1.0
73 0 6 2 25.354 50.708 0.278 8.46 4 102.9 69.3
74 2 0 -4 25.373 50.747 0.278 8.44 2 224.3 164.5
75 0 4 3 25.418 50.835 0.279 8.41 4 102.5 68.5
76 1 7 -1 25.54 51.08 0.28 8.32 4 10.1 0.7
77 4 4 -1 25.768 51.536 0.282 8.15 4 85.0 45.7
78 4 4 -2 25.813 51.627 0.283 8.12 4 54.6 18.7
79 1 5 -3 26.157 52.314 0.286 7.88 4 4.0 0.1
80 3 1 -4 26.225 52.45 0.287 7.83 4 5.4 0.2
81 2 4 2 26.228 52.456 0.287 7.83 4 67.6 27.7
82 2 2 -4 26.398 52.797 0.289 7.71 4 2.2 0.0
83 1 1 -4 26.499 52.998 0.29 7.65 4 31.8 6.0
84 1 3 3 26.652 53.304 0.291 7.55 4 42.9 10.8
85 2 6 1 26.699 53.398 0.292 7.52 4 10.6 0.7
86 5 1 -2 27.009 54.018 0.295 7.32 4 51.5 15.0
87 1 7 1 27.057 54.114 0.295 7.29 4 25.0 3.5
88 3 5 -3 27.384 54.769 0.299 7.09 4 90.4 44.9
89 3 1 2 27.544 55.088 0.3 7.0 4 31.3 5.3
90 5 1 -1 27.704 55.407 0.302 6.91 4 25.9 3.6
91 4 4 0 27.752 55.504 0.302 6.88 4 21.7 2.5
92 4 0 1 27.757 55.514 0.302 6.88 2 6.2 0.1
93 1 7 -2 27.837 55.673 0.303 6.84 4 69.3 25.4
94 4 4 -3 27.88 55.76 0.304 6.81 4 8.0 0.3
95 4 0 -4 27.97 55.941 0.304 6.76 2 30.7 2.5
96 3 3 -4 28.205 56.41 0.307 6.63 4 36.0 6.7
97 3 5 1 28.244 56.487 0.307 6.61 4 102.0 53.3
98 5 1 -3 28.301 56.603 0.308 6.58 4 38.4 7.5
99 0 8 0 28.305 56.61 0.308 6.58 2 83.7 17.9
100 1 3 -4 28.466 56.932 0.309 6.5 4 37.8 7.2
101 0 0 4 28.493 56.987 0.31 6.48 2 26.2 1.7
102 4 2 1 28.723 57.445 0.312 6.37 4 29.7 4.3
103 2 0 3 28.743 57.487 0.312 6.36 2 40.3 4.0
104 2 6 -3 28.764 57.528 0.312 6.35 4 21.7 2.3
105 4 2 -4 28.931 57.863 0.314 6.26 4 101.3 49.8
106 5 3 -2 28.952 57.905 0.314 6.25 4 5.3 0.1
107 0 8 1 29.27 58.541 0.317 6.1 4 32.5 5.0
108 2 4 -4 29.323 58.645 0.318 6.08 4 21.3 2.1
109 0 2 4 29.443 58.887 0.319 6.02 4 103.7 50.1
110 3 3 2 29.464 58.928 0.319 6.01 4 15.0 1.1
111 5 3 -1 29.617 59.234 0.321 5.94 4 28.1 3.6
112 3 7 -1 29.679 59.358 0.321 5.91 4 15.2 1.1
113 2 2 3 29.688 59.377 0.321 5.91 4 51.7 12.2
114 5 3 -3 30.191 60.381 0.326 5.69 4 116.8 60.1
115 5 1 0 30.295 60.59 0.327 5.65 4 18.0 1.4
116 0 6 3 30.296 60.591 0.327 5.65 4 62.8 17.2
117 3 7 -2 30.415 60.83 0.329 5.6 4 26.9 3.2
118 1 5 3 30.489 60.977 0.329 5.57 4 40.6 7.1
119 2 8 -1 30.538 61.077 0.33 5.55 4 24.1 2.5
120 4 6 -1 30.608 61.217 0.331 5.52 4 122.2 63.9
121 4 6 -2 30.649 61.297 0.331 5.5 4 3.7 0.1
122 1 7 2 30.664 61.328 0.331 5.5 4 24.5 2.5
123 3 7 0 30.819 61.638 0.333 5.44 4 16.7 1.2
124 2 8 0 30.982 61.964 0.334 5.37 4 202.6 170.8
125 2 6 2 31.02 62.04 0.335 5.36 4 24.1 2.4
126 5 1 -4 31.421 62.842 0.338 5.21 4 83.8 28.3
127 4 4 1 31.506 63.013 0.339 5.18 4 34.3 4.7
128 4 4 -4 31.704 63.408 0.341 5.11 4 6.8 0.2
129 1 7 -3 31.862 63.724 0.343 5.05 4 79.2 24.6
130 3 5 -4 31.922 63.843 0.343 5.03 4 12.3 0.6
131 2 8 -2 31.937 63.874 0.343 5.03 4 45.4 8.0
132 0 8 2 32.058 64.116 0.345 4.99 4 50.6 9.9
133 5 3 0 32.112 64.225 0.345 4.97 4 85.7 28.3
134 1 1 4 32.151 64.302 0.345 4.96 4 89.1 30.5
135 1 5 -4 32.164 64.328 0.346 4.95 4 36.6 5.1
136 0 4 4 32.189 64.379 0.346 4.94 4 3.6 0.1
137 4 6 0 32.398 64.797 0.348 4.87 4 68.4 17.6
138 2 4 3 32.422 64.844 0.348 4.87 4 137.2 71.0
139 4 6 -3 32.515 65.03 0.349 4.84 4 66.7 16.7
140 5 5 -2 32.617 65.234 0.35 4.8 4 64.6 15.5
141 2 0 -5 32.621 65.243 0.35 4.8 2 44.5 3.7
142 3 1 -5 32.693 65.386 0.351 4.78 4 35.3 4.6
143 6 0 -2 32.716 65.432 0.351 4.77 2 172.7 55.1
144 1 9 0 32.872 65.744 0.352 4.72 4 58.7 12.6
145 3 7 -3 32.952 65.905 0.353 4.7 4 16.0 0.9
146 3 5 2 33.095 66.19 0.354 4.66 4 34.8 4.4
147 1 9 -1 33.105 66.209 0.355 4.65 4 21.7 1.7
148 5 3 -4 33.204 66.407 0.355 4.62 4 9.9 0.3
149 6 0 -3 33.22 66.441 0.356 4.62 2 27.4 1.3
150 2 8 1 33.226 66.452 0.356 4.62 4 12.2 0.5
151 5 5 -1 33.239 66.477 0.356 4.61 4 0.1 0.0
152 4 0 2 33.312 66.625 0.356 4.59 2 172.6 53.0
153 2 2 -5 33.502 67.004 0.358 4.54 4 3.3 0.0
154 4 0 -5 33.581 67.162 0.359 4.51 2 104.5 19.1
155 6 2 -2 33.595 67.191 0.359 4.51 4 2.0 0.0
156 3 7 1 33.725 67.449 0.36 4.47 4 37.0 4.8
157 5 5 -3 33.777 67.554 0.361 4.46 4 78.9 21.5
158 2 6 -4 33.839 67.678 0.361 4.44 4 95.0 31.1
159 1 3 4 33.913 67.826 0.362 4.42 4 54.9 10.3
160 6 0 -1 33.989 67.979 0.363 4.4 2 56.9 5.5
161 6 2 -3 34.093 68.186 0.364 4.37 4 50.9 8.8
162 4 2 2 34.184 68.368 0.365 4.35 4 19.5 1.3
163 3 1 3 34.235 68.469 0.365 4.34 4 27.1 2.5
164 1 1 -5 34.24 68.479 0.365 4.34 4 48.7 8.0
165 1 9 1 34.409 68.817 0.367 4.29 4 3.4 0.0
166 3 3 -5 34.441 68.882 0.367 4.28 4 18.7 1.2
167 4 2 -5 34.449 68.898 0.367 4.28 4 76.9 19.6
168 5 1 1 34.528 69.056 0.368 4.26 4 21.4 1.5
169 6 2 -1 34.853 69.706 0.371 4.18 4 86.3 24.1
170 2 8 -3 35.057 70.113 0.373 4.13 4 47.3 7.2
171 1 9 -2 35.09 70.179 0.373 4.12 4 119.4 45.6
172 6 0 -4 35.465 70.929 0.377 4.04 2 115.7 20.9
173 5 5 0 35.595 71.19 0.378 4.01 4 41.4 5.3
174 1 7 3 35.773 71.546 0.379 3.97 4 46.0 6.5
175 4 6 1 35.872 71.743 0.38 3.95 4 32.6 3.3
176 3 3 3 35.947 71.893 0.381 3.93 4 13.7 0.6
177 1 3 -5 35.951 71.903 0.381 3.93 4 123.9 46.7
178 4 6 -4 36.057 72.115 0.382 3.91 4 11.2 0.4
179 2 4 -5 36.08 72.16 0.382 3.9 4 76.0 17.5
180 5 1 -5 36.104 72.209 0.382 3.9 4 65.4 12.9
181 6 4 -2 36.17 72.341 0.383 3.88 4 39.5 4.7
182 5 3 1 36.234 72.467 0.384 3.87 4 78.6 18.5
183 6 2 -4 36.312 72.625 0.384 3.85 4 19.3 1.1
184 0 10 0 36.349 72.698 0.385 3.85 2 93.7 13.1
185 2 0 4 36.382 72.764 0.385 3.84 2 121.6 22.0
186 0 8 3 36.442 72.884 0.386 3.83 4 57.9 9.9
187 0 6 4 36.514 73.028 0.386 3.81 4 61.0 11.0
188 0 0 5 36.607 73.214 0.387 3.8 2 52.1 4.0
189 5 5 -4 36.636 73.273 0.387 3.79 4 28.9 2.5
190 6 4 -3 36.652 73.305 0.387 3.79 4 31.2 2.8
191 3 9 -1 36.725 73.451 0.388 3.77 4 6.1 0.1
192 4 8 -1 36.728 73.455 0.388 3.77 4 50.6 7.5
193 2 6 3 36.734 73.468 0.388 3.77 4 55.5 9.0
194 4 4 2 36.74 73.481 0.388 3.77 4 51.2 7.7
195 4 8 -2 36.764 73.529 0.389 3.76 4 176.8 91.2
196 6 0 0 36.953 73.905 0.39 3.73 2 114.4 18.9
197 4 4 -5 36.998 73.995 0.391 3.72 4 88.5 22.6
198 3 7 -4 37.102 74.205 0.392 3.7 4 6.6 0.1
199 2 8 2 37.105 74.209 0.392 3.7 4 178.2 91.0
200 0 10 1 37.199 74.398 0.392 3.68 4 3.0 0.0
201 2 2 4 37.221 74.443 0.393 3.68 4 26.7 2.0
202 1 5 4 37.317 74.633 0.394 3.66 4 8.6 0.2
203 1 7 -4 37.329 74.657 0.394 3.66 4 12.6 0.5
204 3 9 -2 37.388 74.777 0.394 3.65 4 84.3 20.1
205 6 4 -1 37.39 74.78 0.394 3.65 4 96.1 26.1
206 0 2 5 37.444 74.888 0.395 3.64 4 58.0 9.5
207 1 9 2 37.614 75.228 0.396 3.61 4 38.2 4.1
208 5 7 -2 37.753 75.505 0.397 3.59 4 52.8 7.7
209 3 9 0 37.755 75.511 0.397 3.58 4 34.6 3.3
210 5 3 -5 37.781 75.561 0.398 3.58 4 97.1 26.2
211 6 2 0 37.787 75.574 0.398 3.58 4 57.6 9.2
212 3 5 -5 37.824 75.648 0.398 3.57 4 99.6 27.5
213 3 7 2 38.202 76.404 0.401 3.51 4 55.4 8.3
214 2 10 -1 38.331 76.662 0.403 3.49 4 25.8 1.8
215 5 7 -1 38.337 76.674 0.403 3.49 4 28.5 2.2
216 4 8 0 38.378 76.756 0.403 3.48 4 33.2 3.0
217 4 8 -3 38.487 76.973 0.404 3.47 4 32.4 2.8
218 1 9 -3 38.708 77.416 0.406 3.43 4 27.0 1.9
219 2 10 0 38.731 77.462 0.406 3.43 4 8.5 0.2
220 6 4 -4 38.812 77.625 0.407 3.42 4 32.6 2.8
221 5 7 -3 38.845 77.691 0.407 3.41 4 9.4 0.2
222 3 5 3 39.279 78.558 0.411 3.35 4 66.5 11.5
223 1 5 -5 39.284 78.567 0.411 3.35 4 47.7 5.9
224 6 0 -5 39.323 78.646 0.411 3.34 2 89.3 10.3
225 7 1 -3 39.385 78.769 0.412 3.34 4 19.8 1.0
226 7 1 -2 39.529 79.059 0.413 3.32 4 37.4 3.6
227 5 5 1 39.558 79.115 0.413 3.31 4 62.4 10.0
228 2 10 -2 39.599 79.198 0.414 3.31 4 80.1 16.4
229 2 4 4 39.702 79.404 0.415 3.29 4 15.5 0.6
230 0 10 2 39.71 79.42 0.415 3.29 4 63.5 10.3
231 3 9 -3 39.715 79.431 0.415 3.29 4 23.8 1.4
232 2 8 -4 39.725 79.45 0.415 3.29 4 35.8 3.3
233 0 4 5 39.92 79.84 0.417 3.26 4 64.7 10.6
234 4 0 3 40.094 80.189 0.418 3.24 2 56.8 4.1
235 6 2 -5 40.142 80.284 0.418 3.24 4 33.1 2.7
236 5 1 2 40.194 80.388 0.419 3.23 4 35.2 3.1
237 3 1 -6 40.203 80.406 0.419 3.23 4 108.7 29.6
238 2 6 -5 40.227 80.454 0.419 3.23 4 69.7 12.1
239 6 4 0 40.257 80.514 0.419 3.22 4 61.5 9.4
240 6 6 -2 40.314 80.628 0.42 3.22 4 66.6 11.1
241 4 0 -6 40.416 80.833 0.421 3.2 2 14.8 0.3
242 3 9 1 40.435 80.87 0.421 3.2 4 2.6 0.0
243 1 1 5 40.496 80.993 0.422 3.19 4 52.3 6.8
244 5 7 0 40.576 81.153 0.422 3.19 4 20.3 1.0
245 2 0 -6 40.747 81.494 0.424 3.17 2 69.1 5.8
246 6 6 -3 40.78 81.561 0.424 3.16 4 44.0 4.7
247 2 10 1 40.785 81.571 0.424 3.16 4 53.5 7.0
248 4 6 2 40.866 81.731 0.425 3.15 4 50.3 6.2
249 7 1 -4 40.895 81.789 0.425 3.15 4 58.5 8.4
250 4 2 3 40.91 81.819 0.425 3.15 4 54.1 7.1
251 7 3 -3 41.018 82.036 0.426 3.14 4 93.0 21.0
252 5 5 -5 41.065 82.13 0.426 3.13 4 11.2 0.3
253 4 6 -5 41.115 82.23 0.427 3.13 4 23.5 1.3
254 7 3 -2 41.161 82.323 0.427 3.12 4 56.0 7.6
255 4 2 -6 41.23 82.46 0.428 3.11 4 12.6 0.4
256 1 11 0 41.272 82.543 0.428 3.11 4 0.5 0.0
257 7 1 -1 41.324 82.649 0.429 3.1 4 3.3 0.0
258 6 0 1 41.479 82.957 0.43 3.09 2 55.5 3.7
259 1 11 -1 41.486 82.972 0.43 3.09 4 37.3 3.3
260 6 6 -1 41.496 82.992 0.43 3.09 4 14.3 0.5
261 2 2 -6 41.56 83.119 0.431 3.08 4 18.4 0.8
262 5 7 -4 41.577 83.154 0.431 3.08 4 57.9 8.0
263 4 8 1 41.654 83.307 0.431 3.07 4 55.5 7.3
264 5 3 2 41.82 83.64 0.433 3.06 4 37.3 3.3
265 3 3 -6 41.829 83.658 0.433 3.05 4 28.0 1.9
266 4 8 -4 41.831 83.662 0.433 3.05 4 129.2 39.5
267 3 1 4 41.993 83.985 0.434 3.04 4 41.5 4.1
268 1 3 5 42.12 84.24 0.435 3.03 4 2.4 0.0
269 5 1 -6 42.195 84.389 0.436 3.02 4 88.9 18.5
270 1 7 4 42.235 84.47 0.436 3.02 4 52.6 6.5
271 0 8 4 42.269 84.539 0.437 3.01 4 129.2 39.0
272 6 2 1 42.288 84.577 0.437 3.01 4 42.0 4.1
273 1 9 3 42.369 84.738 0.437 3.01 4 20.3 1.0
274 2 8 3 42.481 84.961 0.438 3.0 4 18.4 0.8
275 2 10 -3 42.498 84.996 0.439 2.99 4 61.3 8.7
276 7 3 -4 42.516 85.031 0.439 2.99 4 44.1 4.5
277 6 4 -5 42.578 85.155 0.439 2.99 4 37.8 3.3
278 1 11 1 42.697 85.394 0.44 2.98 4 38.0 3.3
279 3 7 -5 42.727 85.454 0.44 2.98 4 38.2 3.4
280 1 1 -6 42.851 85.702 0.441 2.97 4 61.6 8.7
281 6 6 -4 42.884 85.768 0.442 2.96 4 56.9 7.4
282 7 3 -1 42.943 85.886 0.442 2.96 4 41.4 3.9
283 1 11 -2 43.336 86.673 0.445 2.93 4 13.4 0.4
284 4 4 3 43.338 86.676 0.445 2.93 4 126.1 36.1
285 3 3 4 43.608 87.216 0.448 2.91 4 20.3 0.9
286 3 9 -4 43.642 87.285 0.448 2.91 4 9.6 0.2
287 4 4 -6 43.656 87.312 0.448 2.91 4 35.0 2.8
288 2 6 4 43.757 87.514 0.449 2.9 4 56.9 7.3
289 5 3 -6 43.809 87.618 0.449 2.9 4 2.6 0.0
290 0 10 3 43.814 87.629 0.449 2.9 4 12.6 0.4
291 1 9 -4 43.861 87.721 0.45 2.89 4 78.0 13.6
292 0 6 5 43.972 87.944 0.451 2.89 4 22.8 1.2
293 2 4 -6 43.983 87.966 0.451 2.89 4 1.0 0.0
294 7 1 -5 44.026 88.053 0.451 2.88 4 17.2 0.7
295 4 10 -1 44.088 88.176 0.452 2.88 4 6.1 0.1
296 4 10 -2 44.123 88.246 0.452 2.88 4 11.8 0.3
297 3 7 3 44.148 88.295 0.452 2.88 4 45.2 4.6
298 1 7 -5 44.152 88.304 0.452 2.88 4 0.8 0.0
299 7 5 -3 44.251 88.503 0.453 2.87 4 117.6 30.8
300 5 9 -2 44.271 88.541 0.453 2.87 4 75.6 12.7
301 6 6 0 44.304 88.608 0.453 2.87 4 58.6 7.6
302 7 5 -2 44.393 88.787 0.454 2.86 4 14.6 0.5
303 5 7 1 44.421 88.842 0.454 2.86 4 41.3 3.8
304 2 10 2 44.45 88.9 0.455 2.86 4 24.7 1.3
305 1 3 -6 44.463 88.926 0.455 2.86 4 14.4 0.5
306 3 9 2 44.707 89.413 0.457 2.84 4 38.7 3.3
307 6 4 1 44.708 89.416 0.457 2.84 4 77.5 13.2
308 6 0 -6 44.71 89.421 0.457 2.84 2 11.1 0.1
309 7 1 0 44.736 89.473 0.457 2.84 4 90.9 18.2
310 5 9 -1 44.838 89.676 0.458 2.84 4 12.0 0.3
311 3 11 -1 44.891 89.782 0.458 2.83 4 29.4 1.9
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 6.685 13.37 6.61691 35.7 5.4 5.5 5.6
2 0 2 0 6.808 13.616 6.498 32.1 4.9 4.9 5.6
3 0 0 1 6.85 13.699 6.45861 14.0 2.1 2.1 5.6
4 1 1 -1 7.55 15.099 5.86287 49.8 7.5 7.6 5.6
5 0 2 1 9.681 19.361 4.58079 13.9 2.1 2.1 5.6
6 2 0 -1 10.522 21.045 4.21794 374.4 56.7 56.9 5.6
7 1 1 1 11.284 22.569 3.93649 119.4 18.1 18.1 5.6
8 2 0 0 11.559 23.119 3.84401 30.2 4.6 4.6 5.6
9 1 3 0 11.777 23.553 3.77409 487.5 73.8 74.0 5.6
10 1 3 -1 12.298 24.595 3.61648 103.9 15.7 15.8 5.6
11 2 2 -1 12.575 25.15 3.53794 74.2 11.2 11.2 5.6
12 1 1 -2 12.844 25.689 3.46498 336.6 51.0 51.0 5.6
13 2 2 0 13.463 26.927 3.30845 660.4 100.0 100.0 5.6
14 2 0 -2 13.563 27.125 3.28467 381.3 57.7 57.7 5.6
15 0 4 0 13.714 27.429 3.249 188.8 28.6 28.6 5.6
16 0 0 2 13.8 27.599 3.22931 505.3 76.5 76.5 5.6
17 1 3 1 14.932 29.864 2.98942 385.5 58.4 58.2 5.6
18 2 2 -2 15.234 30.468 2.93143 51.5 7.8 7.8 5.6
19 0 4 1 15.39 30.78 2.90245 166.2 25.2 25.1 5.6
20 0 2 2 15.448 30.896 2.89188 69.4 10.5 10.5 5.6
21 1 3 -2 16.167 32.333 2.76651 148.2 22.4 22.4 5.6
22 3 1 -2 17.223 34.446 2.60148 131.2 19.9 19.7 5.7
23 2 4 -1 17.413 34.827 2.57393 272.8 41.3 41.0 5.7
24 1 1 2 17.605 35.209 2.54682 65.9 10.0 9.9 5.7
25 3 1 0 17.84 35.681 2.51426 63.8 9.7 9.6 5.7
26 2 4 0 18.085 36.169 2.48139 20.9 3.2 3.1 5.7
27 1 5 -1 18.585 37.169 2.4169 62.8 9.5 9.4 5.7
28 3 3 -1 18.874 37.748 2.38116 75.6 11.5 11.3 5.7
29 1 1 -3 19.372 38.744 2.32222 45.4 6.9 6.8 5.7
30 3 3 -2 19.893 39.785 2.26381 20.0 3.0 3.0 5.7
31 2 2 -3 20.192 40.383 2.23164 8.2 1.2 1.2 5.7
32 3 3 0 20.44 40.881 2.20564 6.6 1.0 1.0 5.7
33 1 5 1 20.496 40.992 2.19989 33.9 5.1 5.1 5.7
34 0 6 0 20.832 41.663 2.166 169.9 25.7 25.4 5.7
35 2 4 1 21.271 42.543 2.12323 77.4 11.7 11.6 5.7
36 4 0 -1 21.37 42.741 2.11386 26.6 4.0 4.0 5.7
37 4 0 -2 21.422 42.845 2.10897 36.6 5.5 5.5 5.7
38 2 0 2 21.899 43.798 2.06527 15.7 2.4 2.3 5.7
39 3 1 1 21.942 43.884 2.06142 21.2 3.2 3.2 5.7
40 0 6 1 22.03 44.06 2.05359 37.8 5.7 5.6 5.7
41 4 2 -2 22.581 45.163 2.00597 96.8 14.7 14.4 5.7
42 2 2 2 23.039 46.077 1.96825 83.8 12.7 12.5 5.7
43 3 3 -3 23.213 46.426 1.95429 25.4 3.9 3.8 5.7
44 4 0 0 23.626 47.253 1.922 101.0 15.3 15.0 5.7
45 4 0 -3 23.77 47.54 1.91104 45.5 6.9 6.8 5.7
46 2 6 0 24.091 48.183 1.88705 15.3 2.3 2.3 5.7
47 3 3 1 24.176 48.353 1.88081 13.0 2.0 1.9 5.7
48 1 1 3 24.586 49.173 1.85135 52.9 8.0 7.8 5.7
49 4 2 0 24.704 49.408 1.84307 14.6 2.2 2.2 5.7
50 1 5 2 24.788 49.577 1.8372 15.4 2.3 2.3 5.7
51 4 2 -3 24.843 49.687 1.8334 9.4 1.4 1.4 5.7
52 3 5 0 24.967 49.935 1.82486 26.1 3.9 3.9 5.7
53 2 6 -2 25.213 50.426 1.80824 31.4 4.7 4.6 5.8
54 2 0 -4 25.373 50.747 1.79756 233.8 35.4 34.6 5.8
55 0 4 3 25.418 50.835 1.79464 68.5 10.4 10.1 5.8
56 4 4 -1 25.768 51.536 1.77185 45.7 6.9 6.7 5.8
57 4 4 -2 25.813 51.627 1.76897 18.7 2.8 2.8 5.8
58 2 4 2 26.228 52.456 1.74294 27.7 4.2 4.1 5.8
59 1 3 3 26.652 53.304 1.7172 10.8 1.6 1.6 5.8
60 5 1 -2 27.009 54.018 1.69618 15.0 2.3 2.2 5.8
61 3 5 -3 27.384 54.769 1.67468 44.9 6.8 6.6 5.8
62 1 7 -2 27.837 55.673 1.6496 25.4 3.8 3.7 5.8
63 3 3 -4 28.205 56.41 1.62978 6.7 1.0 1.0 5.8
64 3 5 1 28.244 56.487 1.62774 53.3 8.1 7.8 5.8
65 0 8 0 28.305 56.61 1.6245 25.4 3.8 3.7 5.8
66 1 3 -4 28.466 56.932 1.61608 8.9 1.4 1.3 5.8
67 4 2 1 28.723 57.445 1.60285 8.3 1.3 1.2 5.8
68 4 2 -4 28.931 57.863 1.59227 50.0 7.6 7.3 5.8
69 0 2 4 29.443 58.887 1.567 51.2 7.8 7.5 5.8
70 2 2 3 29.688 59.377 1.55523 13.3 2.0 1.9 5.8
71 5 3 -3 30.191 60.381 1.53175 60.1 9.1 8.8 5.8
72 0 6 3 30.296 60.591 1.52693 18.7 2.8 2.7 5.8
73 1 5 3 30.489 60.977 1.51819 7.1 1.1 1.0 5.8
74 4 6 -1 30.608 61.217 1.51282 63.9 9.7 9.3 5.8
75 2 8 0 30.982 61.964 1.49636 170.8 25.9 24.9 5.8
76 5 1 -4 31.421 62.842 1.47755 28.3 4.3 4.1 5.9
77 1 7 -3 31.862 63.724 1.45922 24.6 3.7 3.6 5.9
78 2 8 -2 31.937 63.874 1.45615 8.0 1.2 1.2 5.9
79 0 8 2 32.058 64.116 1.45122 9.9 1.5 1.4 5.9
80 5 3 0 32.112 64.225 1.44903 28.3 4.3 4.1 5.9
81 1 1 4 32.151 64.302 1.44747 35.6 5.4 5.2 5.9
82 2 4 3 32.422 64.844 1.43668 88.6 13.4 12.8 5.9
83 4 6 -3 32.515 65.03 1.43302 16.7 2.5 2.4 5.9
84 5 5 -2 32.617 65.234 1.42904 19.2 2.9 2.8 5.9
85 6 0 -2 32.716 65.432 1.42519 59.8 9.0 8.7 5.9
86 1 9 0 32.872 65.744 1.41918 12.6 1.9 1.8 5.9
87 4 0 2 33.312 66.625 1.40254 53.0 8.0 7.7 5.9
88 4 0 -5 33.581 67.162 1.39263 19.1 2.9 2.8 5.9
89 5 5 -3 33.777 67.554 1.38549 21.5 3.3 3.1 5.9
90 2 6 -4 33.839 67.678 1.38326 31.1 4.7 4.5 5.9
91 1 3 4 33.913 67.826 1.38059 10.3 1.6 1.5 5.9
92 6 2 -3 34.093 68.186 1.37418 8.8 1.3 1.3 5.9
93 1 1 -5 34.24 68.479 1.36901 10.4 1.6 1.5 5.9
94 4 2 -5 34.449 68.898 1.3617 20.8 3.1 3.0 5.9
95 6 2 -1 34.853 69.706 1.34789 24.1 3.6 3.5 5.9
96 2 8 -3 35.057 70.113 1.34105 7.2 1.1 1.0 5.9
97 1 9 -2 35.09 70.179 1.33995 45.6 6.9 6.5 5.9
98 6 0 -4 35.465 70.929 1.32761 20.9 3.2 3.0 5.9
99 1 3 -5 35.951 71.903 1.31201 46.7 7.1 6.7 5.9
100 2 4 -5 36.08 72.16 1.30797 30.4 4.6 4.3 5.9
101 5 3 1 36.234 72.467 1.30318 18.5 2.8 2.7 5.9
102 0 10 0 36.349 72.698 1.2996 13.1 2.0 1.9 6.0
103 2 0 4 36.382 72.764 1.29859 22.0 3.3 3.1 6.0
104 0 8 3 36.442 72.884 1.29675 9.9 1.5 1.4 6.0
105 0 6 4 36.514 73.028 1.29454 11.0 1.7 1.6 6.0
106 4 8 -2 36.764 73.529 1.28696 115.3 17.5 16.5 6.0
107 6 0 0 36.953 73.905 1.28134 18.9 2.9 2.7 6.0
108 4 4 -5 36.998 73.995 1.28 22.6 3.4 3.2 6.0
109 2 8 2 37.105 74.209 1.27684 91.0 13.8 13.0 6.0
110 6 4 -1 37.39 74.78 1.2685 46.2 7.0 6.6 6.0
111 0 2 5 37.444 74.888 1.26693 9.5 1.4 1.3 6.0
112 5 3 -5 37.781 75.561 1.25731 46.4 7.0 6.6 6.0
113 3 5 -5 37.824 75.648 1.25609 27.5 4.2 3.9 6.0
114 3 7 2 38.202 76.404 1.24553 8.3 1.3 1.2 6.0
115 3 5 3 39.279 78.558 1.21669 17.4 2.6 2.5 6.0
116 6 0 -5 39.323 78.646 1.21554 10.3 1.6 1.5 6.0
117 5 5 1 39.558 79.115 1.20951 13.6 2.1 1.9 6.0
118 2 10 -2 39.599 79.198 1.20845 16.4 2.5 2.3 6.0
119 0 10 2 39.71 79.42 1.20563 15.0 2.3 2.1 6.0
120 0 4 5 39.92 79.84 1.20034 10.6 1.6 1.5 6.0
121 3 1 -6 40.203 80.406 1.19331 54.2 8.2 7.6 6.0
122 6 6 -2 40.314 80.628 1.19058 11.1 1.7 1.6 6.1
123 1 1 5 40.496 80.993 1.18614 6.8 1.0 1.0 6.1
124 2 10 1 40.785 81.571 1.17919 11.8 1.8 1.7 6.1
125 7 1 -4 40.895 81.789 1.1766 21.7 3.3 3.0 6.1
126 7 3 -3 41.018 82.036 1.17368 21.0 3.2 2.9 6.1
127 7 3 -2 41.161 82.323 1.17031 7.6 1.1 1.1 6.1
128 6 0 1 41.479 82.957 1.16297 7.5 1.1 1.0 6.1
129 5 7 -4 41.577 83.154 1.16071 8.0 1.2 1.1 6.1
130 4 8 1 41.654 83.307 1.15897 7.3 1.1 1.0 6.1
131 4 8 -4 41.831 83.662 1.15495 44.6 6.8 6.2 6.1
132 5 1 -6 42.195 84.389 1.14684 18.5 2.8 2.6 6.1
133 0 8 4 42.269 84.539 1.1452 43.1 6.5 6.0 6.1
134 2 10 -3 42.498 84.996 1.14021 13.2 2.0 1.8 6.1
135 3 7 -5 42.727 85.454 1.13526 6.7 1.0 0.9 6.1
136 1 1 -6 42.851 85.702 1.13261 8.7 1.3 1.2 6.1
137 6 6 -4 42.884 85.768 1.13191 7.4 1.1 1.0 6.1
138 4 4 3 43.338 86.676 1.12237 36.1 5.5 5.0 6.1
139 2 6 4 43.757 87.514 1.11376 7.3 1.1 1.0 6.2
140 1 9 -4 43.861 87.721 1.11167 13.6 2.1 1.9 6.2
141 7 5 -3 44.251 88.503 1.10386 43.5 6.6 6.0 6.2
142 6 6 0 44.304 88.608 1.10282 7.6 1.2 1.1 6.2
143 7 1 0 44.736 89.473 1.09439 34.9 5.3 4.8 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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