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
6, f-feldspar, sf-Na-K-feldspar
(K,Na)AlSi(3)O(8)
Monoclinic C 2/m Z = 4
C2/m
7 .9 .16
Ref.Str.:
Angel R.J., Ross N.L., Zhao J., Sochalski-Kolbus L., Kruger H.,
Schmidt B.C. (2013) * Eur. J. Mineral., 25, 597-614
L: $K0.93 Na0.07 Si3 Al1 O8$
R: Locality - Unknown. Sample H003. N.A.D
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.5739 alpha = 90.0
b = 12.9874 beta = 116.04
c = 7.2018 gamma = 90.0
Unit cell volume (cub. angs.) = 720.52
Molar volume ( cub.cm/mol.) = 108.5
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.285 0.0 0.1386 0.0 K = 0.93, Na = 0.07
2 0.0093 0.1848 0.2239 0.0 Si = 0.62, Al = 0.38
3 0.7091 0.1177 0.3445 0.0 Si = 0.88, Al = 0.12
4 0.0 0.1461 0.0 0.0 O = 1.00
5 0.6378 0.0 0.2849 0.0 O = 1.00
6 0.8268 0.1467 0.2278 0.0 O = 1.00
7 0.0352 0.3114 0.2592 0.0 O = 1.00
8 0.1809 0.126 0.4067 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.285 0.0 0.1386
2 2 0.0093 0.1848 0.2239
3 3 0.7091 0.1177 0.3445
4 4 0.0 0.1461 0.0
5 5 0.6378 0.0 0.2849
6 6 0.8268 0.1467 0.2278
7 7 0.0352 0.3114 0.2592
8 8 0.1809 0.126 0.4067
9 1 0.715 0.0 0.8614
10 2 0.9906 0.8152 0.7761
11 3 0.2909 0.8823 0.6555
12 4 0.0 0.8539 0.0
13 5 0.3622 0.0 0.7151
14 6 0.1732 0.8533 0.7722
15 7 0.9648 0.6886 0.7408
16 8 0.8191 0.874 0.5933
17 2 0.0093 0.8152 0.2239
18 3 0.7091 0.8823 0.3445
19 6 0.8268 0.8533 0.2278
20 7 0.0352 0.6886 0.2592
21 8 0.1809 0.874 0.4067
22 2 0.9906 0.1848 0.7761
23 3 0.2909 0.1177 0.6555
24 6 0.1732 0.1467 0.7722
25 7 0.9648 0.3114 0.7408
26 8 0.8191 0.126 0.5933
27 1 0.785 0.5 0.1386
28 2 0.5094 0.3152 0.2239
29 3 0.2091 0.3823 0.3445
30 4 0.5 0.3539 0.0
31 5 0.1378 0.5 0.2849
32 6 0.3268 0.3533 0.2278
33 7 0.5352 0.1886 0.2592
34 8 0.6809 0.374 0.4067
35 1 0.215 0.5 0.8614
36 2 0.4906 0.6848 0.7761
37 3 0.7909 0.6177 0.6555
38 4 0.5 0.6461 0.0
39 5 0.8622 0.5 0.7151
40 6 0.6732 0.6467 0.7722
41 7 0.4648 0.8114 0.7408
42 8 0.3191 0.626 0.5933
43 2 0.5094 0.6848 0.2239
44 3 0.2091 0.6177 0.3445
45 6 0.3268 0.6467 0.2278
46 7 0.5352 0.8114 0.2592
47 8 0.6809 0.626 0.4067
48 2 0.4906 0.3152 0.7761
49 3 0.7909 0.3823 0.6555
50 6 0.6732 0.3533 0.7722
51 7 0.4648 0.1886 0.7408
52 8 0.3191 0.374 0.5933
X-ray density (g/cm cub.) = 2.55
MU (1/cm) = 121.068 Mass attenuation coefficient (cm**2/g) = 47.393
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K ,Na 3.228 9
2.9025 4
2.7316 5
2.9527 8
2.9025 4
3.0481 6
2.9527 8
3.0481 6
3.1181 7
3.1181 7
2 Si ,Al 2.316 4
1.6572 4
1.6534 6
1.663 7
1.6669 8
3 Si ,Al 2.316 4
1.632 5
1.616 6
1.6209 8
1.6268 7
4 O 3.264 6
2.6525 6
2.773 7
2.6577 8
2.6525 6
2.773 7
2.6577 8
5 O 3.264 6
2.6478 6
2.6453 8
2.6478 6
2.6453 8
2.5821 7
2.5821 7
6 O 3.264 6
2.6525 4
2.6478 5
2.7315 7
2.7413 8
2.6754 8
2.6636 7
7 O 3.264 6
2.773 4
2.7315 6
2.7048 8
2.5821 5
2.6636 6
2.6893 8
8 O 3.264 6
2.6577 4
2.7413 6
2.7048 7
2.6453 5
2.6754 6
2.6893 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 6.676 13.352 0.075 145.01 4 17.3 33.4
2 0 2 0 6.812 13.625 0.077 139.18 2 28.7 44.3
3 0 0 1 6.837 13.674 0.077 138.17 2 18.6 18.4
4 1 1 -1 7.544 15.088 0.085 113.09 4 26.0 58.7
5 0 2 1 9.675 19.349 0.109 67.9 4 13.8 10.0
6 2 0 -1 10.508 21.016 0.118 57.22 2 132.3 386.1
7 1 1 1 11.262 22.524 0.127 49.55 4 57.1 124.6
8 2 0 0 11.536 23.072 0.13 47.12 2 41.7 31.6
9 1 3 0 11.777 23.554 0.132 45.13 4 118.0 484.0
10 1 3 -1 12.299 24.599 0.138 41.2 4 56.7 102.1
11 2 2 -1 12.566 25.131 0.141 39.39 4 47.9 69.7
12 1 1 -2 12.828 25.657 0.144 37.71 4 107.1 333.4
13 2 2 0 13.445 26.891 0.151 34.15 4 156.3 642.6
14 2 0 -2 13.547 27.094 0.152 33.6 2 167.8 364.4
15 0 4 0 13.724 27.447 0.154 32.69 2 121.4 185.7
16 0 0 2 13.774 27.547 0.155 32.44 2 201.5 507.3
17 1 3 1 14.919 29.838 0.167 27.36 4 134.9 383.7
18 2 2 -2 15.222 30.445 0.17 26.21 4 50.9 52.2
19 0 4 1 15.393 30.785 0.172 25.59 4 90.9 162.9
20 0 2 2 15.426 30.853 0.173 25.47 4 59.0 68.4
21 2 0 1 15.902 31.803 0.178 23.86 2 15.3 2.1
22 3 1 -1 16.037 32.074 0.179 23.42 4 20.6 7.7
23 1 3 -2 16.157 32.315 0.181 23.05 4 88.5 139.1
24 3 1 -2 17.203 34.407 0.192 20.11 4 92.0 131.3
25 2 2 1 17.371 34.742 0.194 19.69 4 37.1 20.8
26 2 4 -1 17.412 34.824 0.194 19.59 4 127.6 245.9
27 1 1 2 17.568 35.136 0.196 19.21 4 65.5 63.6
28 3 1 0 17.805 35.611 0.198 18.66 4 66.7 64.0
29 2 4 0 18.076 36.153 0.201 18.05 4 41.9 24.4
30 1 5 0 18.237 36.475 0.203 17.7 4 0.1 0.0
31 1 5 -1 18.593 37.186 0.207 16.97 4 67.8 60.0
32 3 3 -1 18.857 37.713 0.21 16.45 4 77.8 76.6
33 2 0 -3 18.891 37.781 0.21 16.38 2 9.4 0.6
34 1 1 -3 19.342 38.685 0.215 15.55 4 59.1 41.8
35 2 4 -2 19.475 38.95 0.216 15.31 4 3.9 0.2
36 0 4 2 19.64 39.28 0.218 15.03 4 3.4 0.1
37 3 3 -2 19.879 39.757 0.221 14.63 4 42.0 19.9
38 2 2 -3 20.17 40.34 0.224 14.17 4 26.0 7.4
39 1 3 2 20.201 40.403 0.224 14.12 4 16.7 3.0
40 3 3 0 20.412 40.825 0.226 13.79 4 27.7 8.1
41 1 5 1 20.493 40.986 0.227 13.67 4 52.4 29.0
42 0 6 0 20.846 41.692 0.231 13.16 2 183.2 170.2
43 3 1 -3 20.876 41.751 0.231 13.12 4 13.6 1.9
44 0 0 3 20.924 41.848 0.232 13.05 2 25.2 3.2
45 2 4 1 21.249 42.498 0.235 12.61 4 86.5 72.8
46 4 0 -1 21.333 42.665 0.236 12.5 2 72.4 25.2
47 4 0 -2 21.392 42.785 0.237 12.42 2 85.3 34.8
48 1 5 -2 21.449 42.899 0.237 12.35 4 3.2 0.1
49 1 3 -3 21.794 43.588 0.241 11.91 4 22.9 4.8
50 2 0 2 21.847 43.695 0.242 11.85 2 61.5 17.3
51 3 1 1 21.893 43.785 0.242 11.79 4 45.1 18.4
52 0 6 1 22.039 44.079 0.244 11.62 4 63.6 36.2
53 0 2 3 22.105 44.211 0.244 11.54 4 7.0 0.4
54 4 2 -1 22.497 44.994 0.248 11.09 4 13.0 1.4
55 4 2 -2 22.554 45.108 0.249 11.03 4 105.3 94.2
56 2 2 2 22.991 45.982 0.254 10.56 4 101.8 84.3
57 3 3 -3 23.194 46.389 0.256 10.35 4 54.3 23.5
58 2 6 -1 23.57 47.14 0.26 9.98 4 27.5 5.8
59 4 0 0 23.576 47.152 0.26 9.97 2 141.9 77.4
60 3 5 -1 23.636 47.272 0.26 9.92 4 53.9 22.2
61 2 4 -3 23.664 47.329 0.261 9.89 4 5.6 0.2
62 4 0 -3 23.741 47.483 0.261 9.82 2 107.4 43.6
63 2 6 0 24.092 48.184 0.265 9.5 4 44.1 14.3
64 3 3 1 24.134 48.267 0.265 9.46 4 40.6 12.0
65 3 5 -2 24.495 48.989 0.269 9.15 4 24.1 4.1
66 1 1 3 24.534 49.067 0.27 9.11 4 83.7 49.2
67 4 2 0 24.657 49.314 0.271 9.01 4 47.7 15.8
68 1 5 2 24.769 49.538 0.272 8.92 4 44.4 13.6
69 4 2 -3 24.817 49.634 0.272 8.88 4 39.6 10.8
70 3 5 0 24.949 49.898 0.274 8.77 4 61.8 25.8
71 2 6 -2 25.216 50.432 0.277 8.56 4 66.1 28.8
72 1 7 0 25.28 50.56 0.277 8.51 4 11.7 0.9
73 2 0 -4 25.336 50.672 0.278 8.47 2 222.1 161.0
74 0 6 2 25.351 50.702 0.278 8.46 4 103.0 69.1
75 0 4 3 25.388 50.776 0.278 8.43 4 103.4 69.4
76 1 7 -1 25.555 51.109 0.28 8.3 4 11.6 0.9
77 4 4 -1 25.741 51.482 0.282 8.17 4 84.0 44.5
78 4 4 -2 25.793 51.586 0.282 8.13 4 52.9 17.5
79 1 5 -3 26.142 52.284 0.286 7.89 4 3.7 0.1
80 2 4 2 26.188 52.377 0.286 7.85 4 66.7 27.0
81 3 1 -4 26.192 52.384 0.287 7.85 4 7.0 0.3
82 2 2 -4 26.363 52.726 0.288 7.74 4 1.4 0.0
83 1 1 -4 26.454 52.907 0.289 7.68 4 34.3 6.9
84 1 3 3 26.605 53.209 0.291 7.58 4 45.7 12.2
85 2 6 1 26.687 53.374 0.292 7.52 4 7.0 0.3
86 5 1 -2 26.967 53.934 0.294 7.35 4 52.2 15.5
87 1 7 1 27.062 54.124 0.295 7.29 4 24.6 3.4
88 3 5 -3 27.373 54.746 0.298 7.1 4 88.7 43.1
89 3 1 2 27.478 54.956 0.3 7.04 4 30.4 5.0
90 5 1 -1 27.652 55.304 0.301 6.94 4 23.0 2.8
91 4 0 1 27.691 55.383 0.302 6.92 2 4.3 0.0
92 4 4 0 27.712 55.425 0.302 6.91 4 24.4 3.2
93 1 7 -2 27.844 55.687 0.303 6.83 4 69.1 25.1
94 4 4 -3 27.86 55.719 0.303 6.82 4 6.8 0.2
95 4 0 -4 27.936 55.873 0.304 6.78 2 31.7 2.6
96 3 3 -4 28.176 56.353 0.307 6.65 4 33.9 5.9
97 3 5 1 28.21 56.421 0.307 6.63 4 102.0 53.2
98 5 1 -3 28.264 56.529 0.307 6.6 4 40.6 8.4
99 0 8 0 28.325 56.651 0.308 6.57 2 79.5 16.0
100 1 3 -4 28.425 56.851 0.309 6.52 4 38.0 7.3
101 0 0 4 28.436 56.871 0.309 6.51 2 25.6 1.6
102 4 2 1 28.66 57.32 0.311 6.4 4 28.7 4.1
103 2 0 3 28.675 57.35 0.311 6.39 2 43.5 4.7
104 2 6 -3 28.757 57.515 0.312 6.35 4 24.2 2.9
105 4 2 -4 28.9 57.799 0.314 6.28 4 100.3 48.6
106 5 3 -2 28.915 57.83 0.314 6.27 4 2.5 0.0
107 0 8 1 29.287 58.574 0.318 6.09 4 35.4 5.9
108 2 4 -4 29.294 58.587 0.318 6.09 4 21.5 2.2
109 0 2 4 29.388 58.776 0.319 6.05 4 102.6 49.0
110 3 3 2 29.404 58.807 0.319 6.04 4 10.2 0.5
111 5 3 -1 29.57 59.14 0.32 5.96 4 27.2 3.4
112 2 2 3 29.622 59.245 0.321 5.94 4 51.1 12.0
113 3 7 -1 29.679 59.358 0.321 5.91 4 18.0 1.5
114 5 3 -3 30.157 60.315 0.326 5.71 4 115.7 58.9
115 5 1 0 30.23 60.459 0.327 5.68 4 19.4 1.6
116 0 6 3 30.276 60.551 0.327 5.66 4 62.3 16.9
117 3 7 -2 30.417 60.833 0.329 5.6 4 26.5 3.0
118 1 5 3 30.45 60.9 0.329 5.58 4 42.1 7.6
119 2 8 -1 30.552 61.104 0.33 5.54 4 26.3 2.9
120 4 6 -1 30.59 61.18 0.33 5.53 4 121.7 63.0
121 4 6 -2 30.636 61.273 0.331 5.51 4 0.3 0.0
122 1 7 2 30.654 61.308 0.331 5.5 4 22.2 2.1
123 3 7 0 30.811 61.621 0.332 5.44 4 15.7 1.0
124 2 6 2 30.991 61.981 0.334 5.37 4 19.0 1.5
125 2 8 0 30.991 61.982 0.334 5.37 4 201.5 168.1
126 5 1 -4 31.383 62.765 0.338 5.22 4 81.7 26.9
127 4 4 1 31.451 62.901 0.339 5.2 4 34.8 4.9
128 4 4 -4 31.677 63.355 0.341 5.12 4 5.4 0.1
129 1 7 -3 31.855 63.711 0.343 5.06 4 79.0 24.3
130 3 5 -4 31.9 63.8 0.343 5.04 4 13.5 0.7
131 2 8 -2 31.948 63.896 0.343 5.02 4 44.9 7.8
132 5 3 0 32.051 64.103 0.344 4.99 4 87.1 29.1
133 0 8 2 32.064 64.127 0.345 4.98 4 50.8 9.9
134 1 1 4 32.079 64.159 0.345 4.98 4 89.8 30.9
135 1 5 -4 32.131 64.262 0.345 4.96 4 36.5 5.1
136 0 4 4 32.141 64.281 0.345 4.96 4 0.4 0.0
137 2 4 3 32.363 64.726 0.347 4.89 4 136.7 70.4
138 4 6 0 32.368 64.737 0.348 4.88 4 65.3 16.0
139 4 6 -3 32.502 65.005 0.349 4.84 4 67.3 16.9
140 2 0 -5 32.567 65.134 0.349 4.82 2 43.2 3.5
141 5 5 -2 32.587 65.174 0.35 4.81 4 67.0 16.6
142 3 1 -5 32.646 65.292 0.35 4.79 4 35.3 4.6
143 6 0 -2 32.659 65.318 0.35 4.79 2 171.6 54.4
144 1 9 0 32.893 65.786 0.353 4.72 4 59.4 12.8
145 3 7 -3 32.949 65.899 0.353 4.7 4 17.0 1.0
146 3 5 2 33.043 66.087 0.354 4.67 4 37.1 4.9
147 1 9 -1 33.126 66.253 0.355 4.65 4 21.5 1.7
148 5 3 -4 33.168 66.337 0.355 4.63 4 9.6 0.3
149 6 0 -3 33.17 66.341 0.355 4.63 2 30.0 1.6
150 5 5 -1 33.199 66.399 0.355 4.62 4 3.0 0.0
151 2 8 1 33.223 66.447 0.356 4.62 4 11.5 0.5
152 4 0 2 33.228 66.456 0.356 4.62 2 174.0 53.8
153 2 2 -5 33.45 66.899 0.358 4.55 4 1.6 0.0
154 4 0 -5 33.536 67.073 0.359 4.53 2 105.8 19.5
155 6 2 -2 33.54 67.08 0.359 4.53 4 1.6 0.0
156 3 7 1 33.702 67.403 0.36 4.48 4 34.6 4.1
157 5 5 -3 33.75 67.501 0.361 4.47 4 75.8 19.8
158 2 6 -4 33.818 67.636 0.361 4.45 4 92.6 29.4
159 1 3 4 33.846 67.692 0.362 4.44 4 51.9 9.2
160 6 0 -1 33.92 67.84 0.362 4.42 2 59.3 6.0
161 6 2 -3 34.045 68.089 0.363 4.39 4 50.2 8.5
162 4 2 2 34.102 68.204 0.364 4.37 4 18.6 1.2
163 3 1 3 34.149 68.298 0.364 4.36 4 23.9 1.9
164 1 1 -5 34.175 68.35 0.365 4.35 4 48.9 8.0
165 3 3 -5 34.397 68.795 0.367 4.29 4 19.2 1.2
166 4 2 -5 34.406 68.812 0.367 4.29 4 77.1 19.7
167 1 9 1 34.422 68.845 0.367 4.29 4 5.3 0.1
168 5 1 1 34.444 68.889 0.367 4.28 4 17.1 1.0
169 6 2 -1 34.785 69.571 0.37 4.2 4 84.2 22.9
170 2 8 -3 35.059 70.117 0.373 4.13 4 43.7 6.1
171 1 9 -2 35.105 70.21 0.373 4.12 4 118.6 44.6
172 6 0 -4 35.416 70.833 0.376 4.05 2 116.9 21.3
173 5 5 0 35.542 71.083 0.377 4.02 4 42.6 5.6
174 1 7 3 35.745 71.489 0.379 3.97 4 43.0 5.7
175 4 6 1 35.825 71.65 0.38 3.96 4 33.1 3.3
176 3 3 3 35.865 71.73 0.38 3.95 4 13.7 0.6
177 1 3 -5 35.891 71.781 0.381 3.94 4 124.4 47.0
178 2 4 -5 36.033 72.066 0.382 3.91 4 74.7 16.8
179 4 6 -4 36.038 72.076 0.382 3.91 4 10.5 0.3
180 5 1 -5 36.058 72.117 0.382 3.91 4 66.9 13.5
181 6 4 -2 36.12 72.24 0.383 3.89 4 36.7 4.1
182 5 3 1 36.154 72.308 0.383 3.89 4 79.6 19.0
183 6 2 -4 36.266 72.531 0.384 3.86 4 19.5 1.1
184 2 0 4 36.292 72.584 0.384 3.86 2 119.2 21.1
185 0 10 0 36.377 72.754 0.385 3.84 2 92.0 12.5
186 0 8 3 36.431 72.863 0.385 3.83 4 60.0 10.6
187 0 6 4 36.474 72.947 0.386 3.82 4 61.9 11.3
188 0 0 5 36.528 73.056 0.386 3.81 2 55.2 4.5
189 5 5 -4 36.607 73.214 0.387 3.8 4 29.0 2.5
190 6 4 -3 36.609 73.218 0.387 3.79 4 30.2 2.7
191 4 4 2 36.664 73.328 0.388 3.78 4 50.6 7.5
192 2 6 3 36.684 73.367 0.388 3.78 4 53.4 8.3
193 4 8 -1 36.719 73.437 0.388 3.77 4 55.1 8.8
194 3 9 -1 36.734 73.469 0.388 3.77 4 4.5 0.1
195 4 8 -2 36.761 73.522 0.388 3.77 4 172.9 86.7
196 6 0 0 36.866 73.733 0.389 3.75 2 115.0 19.1
197 4 4 -5 36.959 73.919 0.39 3.73 4 86.4 21.4
198 2 8 2 37.085 74.171 0.391 3.7 4 176.9 89.3
199 3 7 -4 37.089 74.177 0.391 3.7 4 4.9 0.1
200 2 2 4 37.133 74.266 0.392 3.7 4 28.7 2.3
201 0 10 1 37.224 74.447 0.393 3.68 4 3.3 0.0
202 1 5 4 37.256 74.512 0.393 3.67 4 6.6 0.1
203 1 7 -4 37.304 74.609 0.393 3.66 4 15.2 0.7
204 6 4 -1 37.328 74.655 0.394 3.66 4 94.2 25.0
205 0 2 5 37.367 74.734 0.394 3.65 4 57.2 9.2
206 3 9 -2 37.399 74.798 0.394 3.65 4 89.0 22.3
207 1 9 2 37.614 75.228 0.396 3.61 4 40.2 4.5
208 6 2 0 37.703 75.406 0.397 3.59 4 55.4 8.5
209 5 7 -2 37.731 75.462 0.397 3.59 4 53.7 8.0
210 5 3 -5 37.738 75.475 0.397 3.59 4 98.5 26.8
211 3 9 0 37.756 75.512 0.397 3.58 4 38.1 4.0
212 3 5 -5 37.787 75.573 0.398 3.58 4 100.7 27.9
213 3 7 2 38.16 76.32 0.401 3.52 4 54.6 8.1
214 5 7 -1 38.307 76.613 0.402 3.49 4 25.7 1.8
215 2 10 -1 38.353 76.706 0.403 3.49 4 26.4 1.9
216 4 8 0 38.358 76.715 0.403 3.49 4 32.9 2.9
217 4 8 -3 38.482 76.965 0.404 3.47 4 35.8 3.4
218 1 9 -3 38.711 77.422 0.406 3.43 4 22.3 1.3
219 2 10 0 38.749 77.497 0.406 3.43 4 5.3 0.1
220 6 4 -4 38.77 77.54 0.406 3.42 4 34.0 3.1
221 5 7 -3 38.827 77.653 0.407 3.41 4 10.8 0.3
222 3 5 3 39.204 78.409 0.41 3.36 4 66.1 11.3
223 1 5 -5 39.229 78.458 0.411 3.36 4 46.6 5.6
224 6 0 -5 39.271 78.541 0.411 3.35 2 87.1 9.8
225 7 1 -3 39.319 78.637 0.411 3.34 4 23.5 1.4
226 7 1 -2 39.453 78.907 0.412 3.33 4 36.0 3.3
227 5 5 1 39.485 78.969 0.413 3.32 4 63.2 10.2
228 2 4 4 39.619 79.237 0.414 3.3 4 18.9 0.9
229 2 10 -2 39.619 79.238 0.414 3.3 4 80.2 16.4
230 2 8 -4 39.713 79.426 0.415 3.29 4 35.6 3.2
231 3 9 -3 39.721 79.443 0.415 3.29 4 22.9 1.3
232 0 10 2 39.725 79.45 0.415 3.29 4 65.1 10.8
233 0 4 5 39.848 79.696 0.416 3.27 4 62.1 9.7
234 4 0 3 39.986 79.972 0.417 3.26 2 59.1 4.4
235 5 1 2 40.088 80.175 0.418 3.24 4 33.6 2.8
236 6 2 -5 40.091 80.182 0.418 3.24 4 35.3 3.1
237 3 1 -6 40.137 80.274 0.418 3.24 4 108.5 29.4
238 6 4 0 40.177 80.355 0.419 3.23 4 54.5 7.4
239 2 6 -5 40.187 80.374 0.419 3.23 4 66.6 11.0
240 6 6 -2 40.271 80.542 0.42 3.22 4 67.1 11.2
241 4 0 -6 40.355 80.711 0.42 3.21 2 10.6 0.1
242 1 1 5 40.4 80.799 0.421 3.21 4 51.3 6.5
243 3 9 1 40.422 80.844 0.421 3.2 4 5.5 0.1
244 5 7 0 40.531 81.063 0.422 3.19 4 21.7 1.2
245 2 0 -6 40.671 81.342 0.423 3.17 2 69.1 5.8
246 6 6 -3 40.744 81.487 0.424 3.17 4 42.2 4.3
247 2 10 1 40.793 81.586 0.424 3.16 4 52.3 6.7
248 4 6 2 40.797 81.594 0.424 3.16 4 50.2 6.1
249 4 2 3 40.803 81.606 0.424 3.16 4 53.2 6.9
250 7 1 -4 40.833 81.666 0.424 3.16 4 59.4 8.6
251 7 3 -3 40.955 81.91 0.425 3.14 4 93.3 21.1
252 5 5 -5 41.027 82.055 0.426 3.14 4 9.8 0.2
253 4 6 -5 41.083 82.166 0.427 3.13 4 25.2 1.5
254 7 3 -2 41.088 82.177 0.427 3.13 4 59.1 8.4
255 4 2 -6 41.171 82.341 0.427 3.12 4 12.7 0.4
256 7 1 -1 41.233 82.467 0.428 3.11 4 3.8 0.0
257 1 11 0 41.302 82.604 0.428 3.11 4 0.1 0.0
258 6 0 1 41.371 82.741 0.429 3.1 2 52.7 3.3
259 6 6 -1 41.441 82.881 0.43 3.09 4 13.9 0.5
260 2 2 -6 41.485 82.97 0.43 3.09 4 15.6 0.6
261 1 11 -1 41.517 83.033 0.43 3.08 4 36.1 3.1
262 5 7 -4 41.556 83.111 0.431 3.08 4 56.9 7.7
263 4 8 1 41.616 83.233 0.431 3.07 4 54.6 7.1
264 5 3 2 41.717 83.434 0.432 3.06 4 42.9 4.3
265 3 3 -6 41.766 83.532 0.432 3.06 4 31.5 2.3
266 4 8 -4 41.82 83.64 0.433 3.06 4 127.5 38.3
267 3 1 4 41.881 83.761 0.433 3.05 4 42.5 4.2
268 1 3 5 42.026 84.053 0.435 3.04 4 4.2 0.0
269 5 1 -6 42.135 84.271 0.435 3.03 4 88.8 18.4
270 6 2 1 42.182 84.364 0.436 3.02 4 42.4 4.2
271 1 7 4 42.183 84.366 0.436 3.02 4 53.3 6.6
272 0 8 4 42.238 84.476 0.436 3.02 4 130.1 39.4
273 1 9 3 42.351 84.701 0.437 3.01 4 16.2 0.6
274 2 8 3 42.44 84.88 0.438 3.0 4 19.8 0.9
275 7 3 -4 42.457 84.913 0.438 3.0 4 43.0 4.3
276 2 10 -3 42.51 85.019 0.439 2.99 4 64.3 9.5
277 6 4 -5 42.53 85.061 0.439 2.99 4 38.2 3.4
278 3 7 -5 42.697 85.394 0.44 2.98 4 39.7 3.6
279 1 11 1 42.721 85.441 0.44 2.98 4 34.6 2.7
280 1 1 -6 42.761 85.523 0.441 2.97 4 59.3 8.0
281 6 6 -4 42.848 85.696 0.441 2.97 4 55.9 7.1
282 7 3 -1 42.855 85.709 0.441 2.97 4 41.5 3.9
283 4 4 3 43.235 86.471 0.445 2.94 4 125.8 35.8
284 1 11 -2 43.361 86.723 0.446 2.93 4 12.6 0.4
285 3 3 4 43.498 86.997 0.447 2.92 4 20.3 0.9
286 4 4 -6 43.6 87.2 0.448 2.91 4 34.3 2.6
287 3 9 -4 43.638 87.275 0.448 2.91 4 5.6 0.1
288 2 6 4 43.681 87.361 0.448 2.91 4 52.4 6.1
289 5 3 -6 43.752 87.504 0.449 2.9 4 2.5 0.0
290 0 10 3 43.814 87.628 0.449 2.9 4 13.1 0.4
291 1 9 -4 43.846 87.691 0.45 2.89 4 80.0 14.3
292 0 6 5 43.906 87.812 0.45 2.89 4 26.2 1.5
293 2 4 -6 43.912 87.824 0.45 2.89 4 2.9 0.0
294 7 1 -5 43.963 87.926 0.451 2.89 4 14.7 0.5
295 3 7 3 44.081 88.161 0.452 2.88 4 43.9 4.3
296 4 10 -1 44.089 88.178 0.452 2.88 4 4.4 0.0
297 1 7 -5 44.105 88.21 0.452 2.88 4 1.4 0.0
298 4 10 -2 44.13 88.259 0.452 2.88 4 14.5 0.5
299 7 5 -3 44.193 88.386 0.452 2.87 4 115.8 29.7
300 6 6 0 44.231 88.462 0.453 2.87 4 63.1 8.8
301 5 9 -2 44.258 88.517 0.453 2.87 4 75.2 12.5
302 7 5 -2 44.325 88.65 0.454 2.86 4 10.2 0.2
303 5 7 1 44.356 88.711 0.454 2.86 4 38.3 3.2
304 1 3 -6 44.376 88.752 0.454 2.86 4 14.3 0.5
305 2 10 2 44.441 88.883 0.454 2.86 4 26.5 1.5
306 6 4 1 44.605 89.21 0.456 2.85 4 76.9 13.0
307 7 1 0 44.624 89.248 0.456 2.85 4 90.5 18.0
308 6 0 -6 44.647 89.294 0.456 2.85 2 9.1 0.1
309 3 9 2 44.674 89.348 0.456 2.85 4 34.7 2.6
310 5 9 -1 44.817 89.634 0.458 2.84 4 15.6 0.5
311 3 11 -1 44.91 89.821 0.458 2.83 4 29.0 1.8
312 2 0 5 44.931 89.861 0.458 2.83 2 48.7 2.6
313 5 5 2 44.949 89.897 0.459 2.83 4 51.3 5.7
314 3 5 -6 44.997 89.995 0.459 2.83 4 21.4 1.0
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 6.676 13.352 6.62557 33.4 5.2 5.2 5.6
2 0 2 0 6.812 13.625 6.4937 62.8 9.8 9.9 5.6
3 1 1 -1 7.544 15.088 5.86729 58.7 9.1 9.2 5.6
4 0 2 1 9.675 19.349 4.58356 10.0 1.6 1.6 5.6
5 2 0 -1 10.508 21.016 4.22357 386.1 60.1 60.3 5.6
6 1 1 1 11.262 22.524 3.94424 124.6 19.4 19.4 5.6
7 2 0 0 11.536 23.072 3.85171 31.6 4.9 4.9 5.6
8 1 3 0 11.777 23.554 3.77401 484.0 75.3 75.5 5.6
9 1 3 -1 12.299 24.599 3.61603 102.1 15.9 15.9 5.6
10 2 2 -1 12.566 25.131 3.54056 69.7 10.8 10.9 5.6
11 1 1 -2 12.828 25.657 3.46927 333.4 51.9 51.9 5.6
12 2 2 0 13.445 26.891 3.31279 642.6 100.0 100.0 5.6
13 2 0 -2 13.547 27.094 3.28834 364.4 56.7 56.7 5.6
14 0 4 0 13.724 27.447 3.24685 185.7 28.9 28.9 5.6
15 0 0 2 13.774 27.547 3.23531 507.3 78.9 78.9 5.6
16 1 3 1 14.919 29.838 2.99196 383.7 59.7 59.6 5.6
17 2 2 -2 15.222 30.445 2.93365 52.2 8.1 8.1 5.6
18 0 4 1 15.393 30.785 2.902 162.9 25.3 25.3 5.6
19 0 2 2 15.426 30.853 2.8958 68.4 10.6 10.6 5.6
20 3 1 -1 16.037 32.074 2.78825 7.7 1.2 1.2 5.6
21 1 3 -2 16.157 32.315 2.76803 139.1 21.6 21.5 5.6
22 3 1 -2 17.203 34.407 2.60436 131.3 20.4 20.3 5.7
23 2 2 1 17.371 34.742 2.57997 20.8 3.2 3.2 5.7
24 2 4 -1 17.412 34.824 2.57414 245.9 38.3 38.0 5.7
25 1 1 2 17.568 35.136 2.55199 63.6 9.9 9.8 5.7
26 3 1 0 17.805 35.611 2.51904 64.0 10.0 9.9 5.7
27 2 4 0 18.076 36.153 2.4825 24.4 3.8 3.8 5.7
28 1 5 -1 18.593 37.186 2.41588 60.0 9.3 9.3 5.7
29 3 3 -1 18.857 37.713 2.38327 76.6 11.9 11.8 5.7
30 1 1 -3 19.342 38.685 2.32564 41.8 6.5 6.4 5.7
31 3 3 -2 19.879 39.757 2.26535 19.9 3.1 3.1 5.7
32 2 2 -3 20.17 40.34 2.23393 7.4 1.1 1.1 5.7
33 3 3 0 20.412 40.825 2.20852 8.1 1.3 1.3 5.7
34 1 5 1 20.493 40.986 2.20024 29.0 4.5 4.5 5.7
35 0 6 0 20.846 41.692 2.16457 170.2 26.5 26.1 5.7
36 2 4 1 21.249 42.498 2.12536 72.8 11.3 11.2 5.7
37 4 0 -1 21.333 42.665 2.11741 25.2 3.9 3.9 5.7
38 4 0 -2 21.392 42.785 2.11179 34.8 5.4 5.3 5.7
39 2 0 2 21.847 43.695 2.06989 17.3 2.7 2.6 5.7
40 3 1 1 21.893 43.785 2.06583 18.4 2.9 2.8 5.7
41 0 6 1 22.039 44.079 2.05275 36.2 5.6 5.5 5.7
42 4 2 -2 22.554 45.108 2.00826 94.2 14.7 14.4 5.7
43 2 2 2 22.991 45.982 1.97212 84.3 13.1 12.9 5.7
44 3 3 -3 23.194 46.389 1.95577 23.5 3.7 3.6 5.7
45 4 0 0 23.576 47.152 1.92585 83.2 12.9 12.7 5.7
46 3 5 -1 23.636 47.272 1.92125 22.4 3.5 3.4 5.7
47 4 0 -3 23.741 47.483 1.91323 43.6 6.8 6.7 5.7
48 2 6 0 24.092 48.184 1.88701 14.3 2.2 2.2 5.7
49 3 3 1 24.134 48.267 1.88394 12.0 1.9 1.8 5.7
50 1 1 3 24.534 49.067 1.85509 49.2 7.7 7.5 5.7
51 4 2 0 24.657 49.314 1.84637 15.8 2.5 2.4 5.7
52 1 5 2 24.769 49.538 1.83855 13.6 2.1 2.1 5.7
53 4 2 -3 24.817 49.634 1.83523 10.8 1.7 1.6 5.7
54 3 5 0 24.949 49.898 1.82611 25.8 4.0 3.9 5.7
55 2 6 -2 25.216 50.432 1.80802 28.8 4.5 4.4 5.8
56 2 0 -4 25.336 50.672 1.80005 230.1 35.8 35.0 5.8
57 0 4 3 25.388 50.776 1.79659 69.4 10.8 10.5 5.8
58 4 4 -1 25.741 51.482 1.77359 44.5 6.9 6.8 5.8
59 4 4 -2 25.793 51.586 1.77028 17.5 2.7 2.7 5.8
60 2 4 2 26.188 52.377 1.74538 27.3 4.2 4.1 5.8
61 1 1 -4 26.454 52.907 1.72912 6.9 1.1 1.1 5.8
62 1 3 3 26.605 53.209 1.72002 12.2 1.9 1.8 5.8
63 5 1 -2 26.967 53.934 1.6986 15.5 2.4 2.3 5.8
64 3 5 -3 27.373 54.746 1.67531 43.1 6.7 6.5 5.8
65 1 7 -2 27.844 55.687 1.64921 25.3 3.9 3.8 5.8
66 3 5 1 28.21 56.421 1.6295 53.2 8.3 8.0 5.8
67 5 1 -3 28.264 56.529 1.62664 8.4 1.3 1.3 5.8
68 0 8 0 28.325 56.651 1.62342 16.0 2.5 2.4 5.8
69 1 3 -4 28.425 56.851 1.61819 8.9 1.4 1.3 5.8
70 2 0 3 28.675 57.35 1.60529 8.7 1.4 1.3 5.8
71 4 2 -4 28.9 57.799 1.59388 48.7 7.6 7.3 5.8
72 0 8 1 29.287 58.574 1.57462 8.1 1.3 1.2 5.8
73 0 2 4 29.388 58.776 1.56968 49.5 7.7 7.4 5.8
74 2 2 3 29.622 59.245 1.55838 12.0 1.9 1.8 5.8
75 5 3 -3 30.157 60.315 1.53327 58.9 9.2 8.8 5.8
76 0 6 3 30.276 60.551 1.52785 16.9 2.6 2.5 5.8
77 1 5 3 30.45 60.9 1.51992 7.6 1.2 1.1 5.8
78 4 6 -1 30.59 61.18 1.51363 63.0 9.8 9.4 5.8
79 2 8 0 30.991 61.982 1.49598 169.6 26.4 25.4 5.8
80 5 1 -4 31.383 62.765 1.47918 26.9 4.2 4.0 5.9
81 1 7 -3 31.855 63.711 1.45948 24.3 3.8 3.6 5.9
82 2 8 -2 31.948 63.896 1.45569 7.8 1.2 1.2 5.9
83 1 1 4 32.079 64.159 1.45036 70.0 10.9 10.4 5.9
84 2 4 3 32.363 64.726 1.43902 86.4 13.4 12.9 5.9
85 4 6 -3 32.502 65.005 1.43352 16.9 2.6 2.5 5.9
86 5 5 -2 32.587 65.174 1.43021 20.1 3.1 3.0 5.9
87 6 0 -2 32.659 65.318 1.42741 58.9 9.2 8.8 5.9
88 1 9 0 32.893 65.786 1.41837 12.8 2.0 1.9 5.9
89 4 0 2 33.228 66.456 1.40569 53.8 8.4 8.0 5.9
90 4 0 -5 33.536 67.073 1.39426 19.5 3.0 2.9 5.9
91 5 5 -3 33.75 67.501 1.38645 19.8 3.1 2.9 5.9
92 2 6 -4 33.818 67.636 1.38401 38.6 6.0 5.7 5.9
93 6 2 -3 34.045 68.089 1.37589 8.5 1.3 1.3 5.9
94 1 1 -5 34.175 68.35 1.37127 9.9 1.5 1.5 5.9
95 4 2 -5 34.406 68.812 1.36319 21.0 3.3 3.1 5.9
96 6 2 -1 34.785 69.571 1.35018 22.9 3.6 3.4 5.9
97 1 9 -2 35.105 70.21 1.33945 44.6 6.9 6.6 5.9
98 6 0 -4 35.416 70.833 1.32918 21.3 3.3 3.1 5.9
99 1 3 -5 35.891 71.781 1.31393 47.0 7.3 6.9 5.9
100 2 4 -5 36.033 72.066 1.30945 30.6 4.8 4.5 5.9
101 5 3 1 36.154 72.308 1.30565 19.0 3.0 2.8 5.9
102 2 0 4 36.292 72.584 1.30137 22.2 3.5 3.3 6.0
103 0 10 0 36.377 72.754 1.29874 12.5 1.9 1.8 6.0
104 0 8 3 36.431 72.863 1.29707 10.6 1.7 1.6 6.0
105 0 6 4 36.474 72.947 1.29578 11.3 1.8 1.7 6.0
106 2 6 3 36.684 73.367 1.2894 15.8 2.5 2.3 6.0
107 4 8 -1 36.719 73.437 1.28834 8.9 1.4 1.3 6.0
108 4 8 -2 36.761 73.522 1.28707 86.7 13.5 12.7 6.0
109 6 0 0 36.866 73.733 1.2839 19.1 3.0 2.8 6.0
110 4 4 -5 36.959 73.919 1.28113 21.4 3.3 3.1 6.0
111 2 8 2 37.085 74.171 1.2774 89.4 13.9 13.1 6.0
112 6 4 -1 37.328 74.655 1.27031 25.0 3.9 3.7 6.0
113 0 2 5 37.367 74.734 1.26917 9.2 1.4 1.3 6.0
114 3 9 -2 37.399 74.798 1.26824 22.3 3.5 3.3 6.0
115 6 2 0 37.703 75.406 1.25952 16.5 2.6 2.4 6.0
116 5 3 -5 37.738 75.475 1.25853 30.8 4.8 4.5 6.0
117 3 5 -5 37.787 75.573 1.25714 27.9 4.3 4.1 6.0
118 3 7 2 38.16 76.32 1.2467 8.1 1.3 1.2 6.0
119 3 5 3 39.204 78.409 1.21863 16.9 2.6 2.5 6.0
120 6 0 -5 39.271 78.541 1.21691 9.8 1.5 1.4 6.0
121 5 5 1 39.485 78.969 1.21138 10.2 1.6 1.5 6.0
122 2 10 -2 39.619 79.238 1.20794 16.4 2.5 2.4 6.0
123 0 10 2 39.725 79.45 1.20526 15.3 2.4 2.2 6.0
124 0 4 5 39.848 79.696 1.20215 9.7 1.5 1.4 6.0
125 3 1 -6 40.137 80.274 1.19494 29.4 4.6 4.2 6.0
126 2 6 -5 40.187 80.374 1.19371 18.4 2.9 2.7 6.0
127 6 6 -2 40.271 80.542 1.19163 11.2 1.7 1.6 6.1
128 1 1 5 40.4 80.799 1.18849 6.6 1.0 1.0 6.1
129 4 2 3 40.803 81.606 1.17877 28.3 4.4 4.1 6.1
130 7 3 -3 40.955 81.91 1.17517 21.1 3.3 3.0 6.1
131 7 3 -2 41.088 82.177 1.17203 9.9 1.5 1.4 6.1
132 5 7 -4 41.556 83.111 1.1612 7.7 1.2 1.1 6.1
133 4 8 1 41.616 83.233 1.15981 7.1 1.1 1.0 6.1
134 4 8 -4 41.82 83.64 1.1552 38.3 6.0 5.5 6.1
135 5 1 -6 42.135 84.271 1.14816 18.4 2.9 2.6 6.1
136 1 7 4 42.183 84.366 1.14711 10.8 1.7 1.5 6.1
137 0 8 4 42.238 84.476 1.14589 39.4 6.1 5.6 6.1
138 2 10 -3 42.51 85.019 1.13995 12.9 2.0 1.8 6.1
139 1 1 -6 42.761 85.523 1.13452 8.0 1.3 1.1 6.1
140 6 6 -4 42.848 85.696 1.13268 11.1 1.7 1.6 6.1
141 4 4 3 43.235 86.471 1.1245 35.8 5.6 5.1 6.1
142 1 9 -4 43.846 87.691 1.11197 14.3 2.2 2.0 6.2
143 7 5 -3 44.193 88.386 1.10502 29.7 4.6 4.2 6.2
144 5 9 -2 44.258 88.517 1.10372 21.3 3.3 3.0 6.2
145 7 1 0 44.624 89.248 1.09656 30.9 4.8 4.4 6.2
146 5 5 2 44.949 89.897 1.09032 10.2 1.6 1.4 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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