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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FELDSPAR
4, Ba, K, Na, f-feldspar
[Ba(0.4)K(0.47)Na(0.13)][Si(2.59)Al(1.41)]O(8)
Monoclinic C 2/m Z = 4
C2/m
1 .9 .1990
Ref.Str.:
K.Viswanathan, H.-M.Kielhorn (1983)
* Amer. Mineral., 65, 472-476
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.544 alpha = 90.0
b = 13.03 beta = 115.68
c = 7.195 gamma = 90.0
Unit cell volume (cub. angs.) = 721.89
Molar volume ( cub.cm/mol.) = 108.71
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.1428 0.0 0.0 O = 1.00
2 0.6264 0.0 0.2867 0.0 O = 1.00
3 0.8273 0.1415 0.2274 0.0 O = 1.00
4 0.0303 0.3104 0.2558 0.0 O = 1.00
5 0.1842 0.1261 0.403 0.0 O = 1.00
6 0.0089 0.1835 0.2242 0.0 Si = 0.65, Al = 0.35
7 0.705 0.1179 0.3454 0.0 Si = 0.65, Al = 0.35
8 0.2828 0.0 0.1331 0.0 Ba = 0.4 , K = 0.47, Na = 0.13
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.1428 0.0
2 2 0.6264 0.0 0.2867
3 3 0.8273 0.1415 0.2274
4 4 0.0303 0.3104 0.2558
5 5 0.1842 0.1261 0.403
6 6 0.0089 0.1835 0.2242
7 7 0.705 0.1179 0.3454
8 8 0.2828 0.0 0.1331
9 1 0.0 0.8572 0.0
10 2 0.3736 0.0 0.7133
11 3 0.1727 0.8585 0.7726
12 4 0.9697 0.6896 0.7442
13 5 0.8158 0.8739 0.597
14 6 0.9911 0.8165 0.7758
15 7 0.295 0.8821 0.6546
16 8 0.7172 0.0 0.8669
17 3 0.8273 0.8585 0.2274
18 4 0.0303 0.6896 0.2558
19 5 0.1842 0.8739 0.403
20 6 0.0089 0.8165 0.2242
21 7 0.705 0.8821 0.3454
22 3 0.1727 0.1415 0.7726
23 4 0.9697 0.3104 0.7442
24 5 0.8158 0.1261 0.597
25 6 0.9911 0.1835 0.7758
26 7 0.295 0.1179 0.6546
27 1 0.5 0.3572 0.0
28 2 0.1264 0.5 0.2867
29 3 0.3273 0.3585 0.2274
30 4 0.5303 0.1896 0.2558
31 5 0.6842 0.3739 0.403
32 6 0.5089 0.3165 0.2242
33 7 0.205 0.3821 0.3454
34 8 0.7828 0.5 0.1331
35 1 0.5 0.6428 0.0
36 2 0.8736 0.5 0.7133
37 3 0.6727 0.6415 0.7726
38 4 0.4697 0.8104 0.7442
39 5 0.3158 0.6261 0.597
40 6 0.4911 0.6835 0.7758
41 7 0.795 0.6179 0.6546
42 8 0.2172 0.5 0.8669
43 3 0.3273 0.6415 0.2274
44 4 0.5303 0.8104 0.2558
45 5 0.6842 0.6261 0.403
46 6 0.5089 0.6835 0.2242
47 7 0.205 0.6179 0.3454
48 3 0.6727 0.3585 0.7726
49 4 0.4697 0.1896 0.7442
50 5 0.3158 0.3739 0.597
51 6 0.4911 0.3165 0.7758
52 7 0.795 0.3821 0.6546
X-ray density (g/cm cub.) = 2.9
MU (1/cm) = 262.877 Mass attenuation coefficient (cm**2/g) = 90.703
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.264 6
2.6357 3
2.7947 4
2.6414 5
2.6357 3
2.7947 4
2.6414 5
2 O 3.264 6
2.6763 3
2.678 5
2.6763 3
2.678 5
2.5824 4
2.5824 4
3 O 3.264 6
2.6357 1
2.6763 2
2.7543 4
2.7561 5
2.7107 5
2.7061 4
4 O 3.264 6
2.7947 1
2.7543 3
2.7222 5
2.5824 2
2.7061 3
2.7334 5
5 O 3.264 6
2.6414 1
2.7561 3
2.7222 4
2.678 2
2.7107 3
2.7334 4
6 Si ,Al 2.316 4
1.6682 1
1.6548 3
1.6683 4
1.6696 5
7 Si ,Al 2.316 4
1.6564 2
1.6359 3
1.643 5
1.6378 4
8 Ba ,K ,Na 3.288 9
2.8657 1
2.651 2
2.9323 5
2.8657 1
2.9828 3
2.9323 5
2.9828 3
3.1203 4
3.1203 4
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.673 13.345 0.075 145.17 4 6.0 4.1
2 0 2 0 6.79 13.58 0.077 140.11 2 28.3 43.1
3 0 0 1 6.822 13.645 0.077 138.77 2 20.3 21.9
4 1 1 -1 7.561 15.122 0.085 112.56 4 9.4 7.7
5 0 2 1 9.648 19.297 0.109 68.28 4 50.1 131.5
6 2 0 -1 10.553 21.106 0.119 56.72 2 85.0 157.1
7 1 1 1 11.228 22.456 0.126 49.86 4 15.4 9.0
8 2 0 0 11.541 23.082 0.13 47.08 2 79.5 114.1
9 1 3 0 11.748 23.497 0.132 45.36 4 126.2 554.1
10 1 3 -1 12.285 24.57 0.138 41.3 4 81.2 209.1
11 2 2 -1 12.591 25.182 0.142 39.22 4 92.9 259.9
12 1 1 -2 12.835 25.67 0.144 37.67 4 151.3 661.9
13 2 2 0 13.438 26.876 0.151 34.18 4 198.0 1028.5
14 2 0 -2 13.598 27.196 0.153 33.34 2 193.5 479.2
15 0 4 0 13.678 27.356 0.153 32.93 2 78.3 77.4
16 0 0 2 13.744 27.488 0.154 32.59 2 203.4 517.3
17 1 3 1 14.871 29.743 0.167 27.55 4 170.2 612.3
18 2 2 -2 15.258 30.516 0.171 26.07 4 32.1 20.6
19 0 4 1 15.345 30.689 0.172 25.76 4 120.8 288.6
20 0 2 2 15.389 30.778 0.172 25.6 4 56.5 62.7
21 2 0 1 15.866 31.731 0.177 23.97 2 2.8 0.1
22 3 1 -1 16.086 32.172 0.18 23.27 4 0.4 0.0
23 1 3 -2 16.143 32.286 0.18 23.09 4 138.0 337.7
24 3 1 -2 17.277 34.555 0.193 19.93 4 118.6 215.3
25 2 2 1 17.329 34.657 0.193 19.8 4 55.6 47.0
26 2 4 -1 17.403 34.806 0.194 19.61 4 170.3 436.5
27 1 1 2 17.512 35.024 0.195 19.35 4 108.7 175.6
28 3 1 0 17.811 35.621 0.199 18.64 4 90.5 117.3
29 2 4 0 18.044 36.088 0.201 18.12 4 0.5 0.0
30 1 5 0 18.183 36.365 0.203 17.82 4 15.5 3.3
31 1 5 -1 18.548 37.096 0.206 17.06 4 94.6 117.2
32 3 3 -1 18.882 37.764 0.21 16.4 4 86.1 93.3
33 2 0 -3 18.929 37.858 0.211 16.31 2 12.8 1.0
34 1 1 -3 19.334 38.667 0.215 15.56 4 93.4 104.3
35 2 4 -2 19.479 38.957 0.216 15.31 4 11.9 1.7
36 0 4 2 19.585 39.17 0.218 15.12 4 6.4 0.5
37 3 3 -2 19.928 39.855 0.221 14.55 4 77.8 67.7
38 1 3 2 20.136 40.271 0.223 14.22 4 59.8 39.0
39 2 2 -3 20.198 40.397 0.224 14.12 4 50.1 27.2
40 3 3 0 20.401 40.802 0.226 13.81 4 45.9 22.3
41 1 5 1 20.425 40.849 0.227 13.78 4 99.8 105.3
42 0 6 0 20.775 41.55 0.23 13.26 2 221.6 250.0
43 0 0 3 20.878 41.755 0.231 13.12 2 7.6 0.3
44 3 1 -3 20.952 41.904 0.232 13.01 4 28.6 8.2
45 2 4 1 21.19 42.38 0.235 12.69 4 104.9 107.1
46 4 0 -1 21.391 42.782 0.237 12.42 2 115.6 63.7
47 1 5 -2 21.407 42.815 0.237 12.4 4 53.1 26.8
48 4 0 -2 21.487 42.973 0.238 12.3 2 118.9 66.7
49 1 3 -3 21.771 43.542 0.241 11.94 4 57.7 30.5
50 2 0 2 21.78 43.559 0.241 11.93 2 76.0 26.5
51 3 1 1 21.854 43.708 0.242 11.84 4 92.3 77.4
52 0 6 1 21.966 43.932 0.243 11.7 4 91.6 75.4
53 0 2 3 22.054 44.107 0.244 11.6 4 37.8 12.7
54 4 2 -1 22.545 45.091 0.249 11.04 4 41.9 14.9
55 4 2 -2 22.637 45.274 0.25 10.94 4 136.3 156.0
56 2 2 2 22.918 45.837 0.253 10.63 4 120.5 118.5
57 3 3 -3 23.25 46.5 0.256 10.29 4 92.3 67.3
58 2 6 -1 23.527 47.055 0.259 10.02 4 64.3 31.8
59 4 0 0 23.587 47.174 0.26 9.96 2 171.2 112.0
60 3 5 -1 23.628 47.257 0.26 9.92 4 60.0 27.4
61 2 4 -3 23.668 47.336 0.261 9.89 4 12.0 1.1
62 4 0 -3 23.852 47.705 0.262 9.71 2 119.6 53.3
63 2 6 0 24.031 48.062 0.264 9.55 4 9.8 0.7
64 3 3 1 24.084 48.168 0.265 9.5 4 87.0 55.3
65 1 1 3 24.457 48.913 0.269 9.18 4 105.6 78.6
66 3 5 -2 24.508 49.017 0.269 9.13 4 67.5 32.0
67 4 2 0 24.661 49.321 0.271 9.01 4 20.9 3.0
68 1 5 2 24.685 49.37 0.271 8.99 4 84.4 49.2
69 3 5 0 24.912 49.824 0.273 8.8 4 79.8 43.0
70 4 2 -3 24.917 49.835 0.273 8.8 4 28.1 5.3
71 2 6 -2 25.185 50.37 0.276 8.58 4 87.4 50.4
72 1 7 0 25.197 50.394 0.276 8.58 4 7.3 0.4
73 0 6 2 25.272 50.543 0.277 8.52 4 102.3 68.5
74 0 4 3 25.321 50.642 0.278 8.48 4 133.9 116.8
75 2 0 -4 25.358 50.716 0.278 8.45 2 270.4 237.2
76 1 7 -1 25.479 50.959 0.279 8.36 4 15.9 1.6
77 4 4 -1 25.765 51.529 0.282 8.15 4 129.8 105.5
78 4 4 -2 25.848 51.696 0.283 8.09 4 35.3 7.7
79 1 5 -3 26.095 52.19 0.286 7.92 4 33.8 6.9
80 2 4 2 26.103 52.206 0.286 7.91 4 54.3 17.9
81 3 1 -4 26.259 52.519 0.287 7.81 4 21.0 2.6
82 2 2 -4 26.378 52.756 0.288 7.73 4 43.2 11.1
83 1 1 -4 26.428 52.855 0.289 7.69 4 23.0 3.1
84 1 3 3 26.519 53.038 0.29 7.63 4 19.9 2.3
85 2 6 1 26.604 53.208 0.291 7.58 4 25.2 3.7
86 1 7 1 26.968 53.936 0.294 7.35 4 8.2 0.4
87 5 1 -2 27.072 54.144 0.295 7.28 4 65.4 23.9
88 3 5 -3 27.397 54.794 0.299 7.09 4 129.2 90.8
89 3 1 2 27.401 54.802 0.299 7.09 4 63.0 21.6
90 4 0 1 27.654 55.308 0.301 6.94 2 8.3 0.2
91 4 4 0 27.696 55.393 0.302 6.91 4 6.6 0.2
92 5 1 -1 27.714 55.429 0.302 6.9 4 20.6 2.3
93 1 7 -2 27.771 55.541 0.302 6.87 4 104.0 57.0
94 4 4 -3 27.933 55.867 0.304 6.78 4 8.3 0.4
95 4 0 -4 28.049 56.097 0.305 6.72 2 57.9 8.6
96 3 5 1 28.14 56.281 0.306 6.67 4 140.4 100.9
97 0 8 0 28.224 56.449 0.307 6.62 2 129.4 42.6
98 3 3 -4 28.228 56.455 0.307 6.62 4 58.2 17.2
99 0 0 4 28.37 56.74 0.308 6.55 2 17.6 0.8
100 1 3 -4 28.388 56.776 0.309 6.54 4 35.1 6.2
101 5 1 -3 28.398 56.795 0.309 6.53 4 8.1 0.3
102 2 0 3 28.578 57.156 0.311 6.44 2 6.5 0.1
103 4 2 1 28.617 57.234 0.311 6.42 4 21.6 2.3
104 2 6 -3 28.729 57.458 0.312 6.36 4 35.1 6.0
105 5 3 -2 29.003 58.006 0.315 6.23 4 28.1 3.8
106 4 2 -4 29.003 58.006 0.315 6.23 4 128.3 78.7
107 0 8 1 29.184 58.368 0.317 6.14 4 4.8 0.1
108 2 4 -4 29.289 58.578 0.318 6.09 4 12.2 0.7
109 3 3 2 29.317 58.635 0.318 6.08 4 46.4 10.0
110 0 2 4 29.318 58.635 0.318 6.08 4 141.5 93.4
111 2 2 3 29.522 59.043 0.32 5.99 4 92.1 39.0
112 5 3 -1 29.618 59.235 0.321 5.94 4 43.0 8.4
113 3 7 -1 29.636 59.272 0.321 5.93 4 3.9 0.1
114 0 6 3 30.186 60.371 0.326 5.69 4 92.2 37.1
115 5 1 0 30.242 60.484 0.327 5.67 4 47.0 9.6
116 5 3 -3 30.273 60.547 0.327 5.66 4 157.0 107.1
117 1 5 3 30.348 60.695 0.328 5.63 4 56.7 13.9
118 3 7 -2 30.392 60.785 0.328 5.61 4 57.5 14.2
119 2 8 -1 30.474 60.948 0.329 5.57 4 10.3 0.5
120 1 7 2 30.545 61.091 0.33 5.55 4 64.6 17.7
121 4 6 -1 30.581 61.162 0.33 5.53 4 156.9 104.6
122 4 6 -2 30.656 61.311 0.331 5.5 4 17.5 1.3
123 3 7 0 30.742 61.485 0.332 5.47 4 42.0 7.4
124 2 6 2 30.884 61.768 0.333 5.41 4 11.6 0.6
125 2 8 0 30.898 61.795 0.333 5.41 4 236.5 232.0
126 4 4 1 31.393 62.785 0.338 5.22 4 41.5 6.9
127 5 1 -4 31.53 63.06 0.339 5.17 4 114.5 52.0
128 4 4 -4 31.758 63.516 0.342 5.09 4 31.2 3.8
129 1 7 -3 31.779 63.558 0.342 5.08 4 105.9 43.8
130 2 8 -2 31.88 63.76 0.343 5.05 4 30.1 3.5
131 3 5 -4 31.924 63.848 0.343 5.03 4 30.2 3.5
132 0 8 2 31.955 63.91 0.344 5.02 4 45.0 7.8
133 1 1 4 31.979 63.957 0.344 5.01 4 97.8 36.8
134 5 3 0 32.052 64.104 0.344 4.99 4 110.7 46.9
135 0 4 4 32.056 64.112 0.345 4.99 4 40.0 6.1
136 1 5 -4 32.073 64.146 0.345 4.98 4 31.8 3.9
137 2 4 3 32.25 64.499 0.346 4.92 4 175.1 115.9
138 4 6 0 32.325 64.649 0.347 4.9 4 97.6 35.8
139 4 6 -3 32.541 65.081 0.349 4.83 4 69.0 17.6
140 2 0 -5 32.571 65.143 0.349 4.82 2 68.2 8.6
141 5 5 -2 32.646 65.291 0.35 4.79 4 35.0 4.5
142 3 1 -5 32.7 65.399 0.351 4.78 4 19.8 1.4
143 1 9 0 32.777 65.553 0.351 4.75 4 68.2 17.0
144 6 0 -2 32.779 65.557 0.351 4.75 2 211.3 81.4
145 3 7 -3 32.936 65.872 0.353 4.7 4 21.8 1.7
146 3 5 2 32.94 65.879 0.353 4.7 4 2.8 0.0
147 1 9 -1 33.016 66.032 0.354 4.68 4 0.9 0.0
148 2 8 1 33.111 66.221 0.355 4.65 4 1.7 0.0
149 4 0 2 33.145 66.29 0.355 4.64 2 202.9 73.3
150 5 5 -1 33.221 66.442 0.356 4.62 4 17.9 1.1
151 5 3 -4 33.3 66.6 0.356 4.6 4 21.0 1.6
152 6 0 -3 33.328 66.656 0.357 4.59 2 29.0 1.5
153 2 2 -5 33.448 66.896 0.358 4.55 4 32.1 3.6
154 3 7 1 33.604 67.209 0.359 4.51 4 75.7 19.8
155 4 0 -5 33.642 67.283 0.36 4.5 2 78.2 10.6
156 6 2 -2 33.653 67.305 0.36 4.49 4 24.9 2.1
157 1 3 4 33.736 67.472 0.36 4.47 4 40.3 5.6
158 2 6 -4 33.785 67.57 0.361 4.46 4 131.5 59.2
159 5 5 -3 33.837 67.673 0.361 4.44 4 117.4 47.0
160 6 0 -1 33.992 67.984 0.363 4.4 2 18.6 0.6
161 4 2 2 34.014 68.029 0.363 4.39 4 3.9 0.1
162 3 1 3 34.034 68.069 0.363 4.39 4 31.1 3.3
163 1 1 -5 34.129 68.258 0.364 4.36 4 23.0 1.8
164 6 2 -3 34.195 68.389 0.365 4.35 4 35.0 4.1
165 1 9 1 34.295 68.591 0.366 4.32 4 28.1 2.6
166 5 1 1 34.405 68.811 0.367 4.29 4 59.8 11.8
167 3 3 -5 34.438 68.877 0.367 4.28 4 28.2 2.6
168 4 2 -5 34.505 69.009 0.368 4.27 4 109.4 39.2
169 6 2 -1 34.851 69.702 0.371 4.18 4 118.1 44.8
170 2 8 -3 34.994 69.988 0.372 4.15 4 68.6 15.0
171 1 9 -2 34.996 69.992 0.372 4.15 4 156.7 78.1
172 5 5 0 35.52 71.04 0.377 4.02 4 7.4 0.2
173 6 0 -4 35.599 71.199 0.378 4.01 2 122.5 23.1
174 1 7 3 35.617 71.234 0.378 4.0 4 64.7 12.9
175 3 3 3 35.742 71.483 0.379 3.98 4 13.2 0.5
176 4 6 1 35.743 71.486 0.379 3.97 4 32.4 3.2
177 1 3 -5 35.834 71.669 0.38 3.95 4 142.6 61.7
178 2 4 -5 36.015 72.029 0.382 3.92 4 113.0 38.4
179 4 6 -4 36.086 72.172 0.382 3.9 4 13.0 0.5
180 5 3 1 36.105 72.21 0.383 3.9 4 108.7 35.4
181 2 0 4 36.163 72.326 0.383 3.89 2 154.3 35.5
182 5 1 -5 36.21 72.419 0.383 3.88 4 62.3 11.5
183 6 4 -2 36.213 72.425 0.383 3.87 4 18.2 1.0
184 0 10 0 36.239 72.479 0.384 3.87 2 128.6 24.6
185 0 8 3 36.311 72.622 0.384 3.85 4 34.4 3.5
186 0 6 4 36.367 72.733 0.385 3.84 4 20.7 1.3
187 0 0 5 36.438 72.876 0.386 3.83 2 35.4 1.8
188 6 2 -4 36.441 72.882 0.386 3.83 4 8.1 0.2
189 2 6 3 36.549 73.098 0.387 3.81 4 86.5 21.9
190 4 4 2 36.563 73.126 0.387 3.8 4 26.2 2.0
191 3 9 -1 36.652 73.303 0.387 3.79 4 20.3 1.2
192 4 8 -1 36.672 73.344 0.388 3.78 4 6.8 0.1
193 5 5 -4 36.711 73.422 0.388 3.77 4 52.8 8.1
194 6 4 -3 36.738 73.475 0.388 3.77 4 55.6 8.9
195 4 8 -2 36.74 73.48 0.388 3.77 4 209.1 126.5
196 6 0 0 36.885 73.77 0.39 3.74 2 107.2 16.5
197 2 8 2 36.949 73.898 0.39 3.73 4 198.5 112.8
198 2 2 4 37.0 74.0 0.391 3.72 4 3.3 0.0
199 4 4 -5 37.038 74.077 0.391 3.71 4 131.4 49.2
200 3 7 -4 37.078 74.156 0.391 3.71 4 24.7 1.7
201 0 10 1 37.083 74.167 0.391 3.7 4 23.4 1.6
202 1 5 4 37.129 74.258 0.392 3.7 4 1.5 0.0
203 1 7 -4 37.217 74.435 0.393 3.68 4 4.7 0.1
204 0 2 5 37.273 74.545 0.393 3.67 4 81.3 18.6
205 3 9 -2 37.333 74.667 0.394 3.66 4 99.3 27.7
206 6 4 -1 37.375 74.75 0.394 3.65 4 126.9 45.1
207 1 9 2 37.472 74.944 0.395 3.63 4 68.6 13.1
208 3 9 0 37.651 75.301 0.397 3.6 4 49.7 6.8
209 6 2 0 37.716 75.432 0.397 3.59 4 75.2 15.6
210 5 7 -2 37.754 75.507 0.397 3.59 4 64.6 11.5
211 3 5 -5 37.804 75.608 0.398 3.58 4 106.7 31.2
212 5 3 -5 37.876 75.751 0.399 3.56 4 96.5 25.5
213 3 7 2 38.03 76.059 0.4 3.54 4 78.9 16.9
214 2 10 -1 38.234 76.468 0.402 3.51 4 10.6 0.3
215 4 8 0 38.279 76.558 0.402 3.5 4 13.1 0.5
216 5 7 -1 38.294 76.589 0.402 3.5 4 22.5 1.4
217 4 8 -3 38.48 76.96 0.404 3.47 4 19.9 1.1
218 1 9 -3 38.597 77.195 0.405 3.45 4 56.6 8.5
219 2 10 0 38.616 77.232 0.405 3.45 4 38.6 3.9
220 5 7 -3 38.876 77.752 0.407 3.41 4 29.1 2.2
221 6 4 -4 38.925 77.851 0.408 3.4 4 15.2 0.6
222 3 5 3 39.063 78.126 0.409 3.38 4 65.1 11.0
223 1 5 -5 39.153 78.306 0.41 3.37 4 67.7 11.8
224 5 5 1 39.416 78.831 0.412 3.33 4 90.7 21.0
225 6 0 -5 39.469 78.938 0.413 3.32 2 121.9 19.0
226 2 4 4 39.472 78.944 0.413 3.32 4 16.3 0.7
227 7 1 -3 39.498 78.996 0.413 3.32 4 16.6 0.7
228 2 10 -2 39.509 79.018 0.413 3.32 4 91.4 21.3
229 0 10 2 39.577 79.154 0.414 3.31 4 64.8 10.7
230 7 1 -2 39.588 79.175 0.414 3.31 4 42.0 4.5
231 2 8 -4 39.645 79.289 0.414 3.3 4 76.4 14.8
232 3 9 -3 39.666 79.332 0.414 3.3 4 4.4 0.0
233 0 4 5 39.739 79.478 0.415 3.29 4 91.1 21.0
234 4 0 3 39.856 79.712 0.416 3.27 2 17.8 0.4
235 5 1 2 39.996 79.992 0.417 3.26 4 50.5 6.4
236 2 6 -5 40.143 80.285 0.418 3.24 4 101.3 25.5
237 6 4 0 40.174 80.348 0.419 3.23 4 84.1 17.6
238 3 1 -6 40.175 80.349 0.419 3.23 4 141.7 49.9
239 1 1 5 40.268 80.535 0.42 3.22 4 85.4 18.0
240 6 2 -5 40.283 80.566 0.42 3.22 4 5.7 0.1
241 3 9 1 40.289 80.577 0.42 3.22 4 35.0 3.0
242 6 6 -2 40.334 80.667 0.42 3.21 4 95.0 22.3
243 4 0 -6 40.451 80.902 0.421 3.2 2 50.4 3.1
244 5 7 0 40.479 80.957 0.421 3.2 4 42.3 4.4
245 2 10 1 40.641 81.281 0.423 3.18 4 63.8 9.9
246 2 0 -6 40.654 81.309 0.423 3.18 2 54.8 3.7
247 4 2 3 40.668 81.336 0.423 3.17 4 84.4 17.3
248 4 6 2 40.673 81.345 0.423 3.17 4 79.4 15.3
249 6 6 -3 40.842 81.684 0.425 3.16 4 57.5 8.0
250 7 1 -4 41.048 82.096 0.426 3.13 4 85.8 17.7
251 7 3 -3 41.122 82.243 0.427 3.13 4 118.8 33.9
252 4 6 -5 41.133 82.267 0.427 3.12 4 10.7 0.3
253 5 5 -5 41.141 82.282 0.427 3.12 4 11.5 0.3
254 1 11 0 41.142 82.283 0.427 3.12 4 8.4 0.2
255 7 3 -2 41.211 82.421 0.428 3.12 4 37.5 3.4
256 4 2 -6 41.261 82.521 0.428 3.11 4 11.3 0.3
257 7 1 -1 41.315 82.629 0.429 3.1 4 24.0 1.4
258 6 0 1 41.332 82.664 0.429 3.1 2 39.0 1.8
259 1 11 -1 41.362 82.724 0.429 3.1 4 58.3 8.1
260 6 6 -1 41.46 82.921 0.43 3.09 4 46.4 5.1
261 2 2 -6 41.463 82.926 0.43 3.09 4 25.9 1.6
262 4 8 1 41.501 83.002 0.43 3.09 4 49.3 5.8
263 5 3 2 41.615 83.231 0.431 3.07 4 11.4 0.3
264 5 7 -4 41.624 83.248 0.431 3.07 4 86.9 17.8
265 3 1 4 41.723 83.446 0.432 3.06 4 63.3 9.4
266 3 3 -6 41.793 83.585 0.433 3.06 4 7.3 0.1
267 4 8 -4 41.829 83.658 0.433 3.05 4 154.8 56.2
268 1 3 5 41.885 83.77 0.433 3.05 4 29.0 2.0
269 1 7 4 42.028 84.056 0.435 3.04 4 64.9 9.8
270 0 8 4 42.098 84.196 0.435 3.03 4 162.3 61.2
271 6 2 1 42.138 84.277 0.436 3.03 4 57.2 7.6
272 1 9 3 42.187 84.373 0.436 3.02 4 38.1 3.4
273 2 8 3 42.273 84.547 0.437 3.01 4 16.2 0.6
274 5 1 -6 42.286 84.572 0.437 3.01 4 108.1 27.0
275 2 10 -3 42.401 84.802 0.438 3.0 4 40.7 3.8
276 1 11 1 42.549 85.098 0.439 2.99 4 70.6 11.4
277 7 3 -4 42.66 85.32 0.44 2.98 4 69.2 11.0
278 3 7 -5 42.683 85.365 0.44 2.98 4 24.4 1.4
279 1 1 -6 42.689 85.378 0.44 2.98 4 95.4 20.8
280 6 4 -5 42.704 85.409 0.44 2.98 4 75.1 12.9
281 7 3 -1 42.925 85.85 0.442 2.96 4 64.2 9.4
282 6 6 -4 42.974 85.947 0.442 2.96 4 68.6 10.7
283 4 4 3 43.086 86.172 0.443 2.95 4 156.2 55.2
284 1 11 -2 43.206 86.412 0.444 2.94 4 47.0 5.0
285 3 3 4 43.331 86.662 0.445 2.93 4 40.4 3.7
286 2 6 4 43.51 87.02 0.447 2.92 4 89.4 17.9
287 3 9 -4 43.586 87.171 0.448 2.91 4 36.6 3.0
288 0 10 3 43.651 87.303 0.448 2.91 4 38.8 3.4
289 4 4 -6 43.673 87.347 0.448 2.91 4 48.9 5.3
290 1 9 -4 43.72 87.439 0.449 2.9 4 69.2 10.7
291 0 6 5 43.773 87.546 0.449 2.9 4 2.7 0.0
292 2 4 -6 43.874 87.749 0.45 2.89 4 1.0 0.0
293 5 3 -6 43.892 87.783 0.45 2.89 4 23.7 1.2
294 3 7 3 43.911 87.822 0.45 2.89 4 47.5 5.0
295 4 10 -1 43.997 87.994 0.451 2.88 4 43.8 4.2
296 1 7 -5 43.999 87.998 0.451 2.88 4 20.4 0.9
297 4 10 -2 44.062 88.124 0.451 2.88 4 12.0 0.3
298 6 6 0 44.201 88.403 0.453 2.87 4 42.8 4.0
299 7 1 -5 44.206 88.413 0.453 2.87 4 4.0 0.0
300 5 9 -2 44.238 88.476 0.453 2.87 4 87.8 17.0
301 5 7 1 44.256 88.513 0.453 2.87 4 74.6 12.3
302 2 10 2 44.263 88.526 0.453 2.87 4 9.4 0.2
303 1 3 -6 44.293 88.587 0.453 2.87 4 22.1 1.1
304 7 5 -3 44.337 88.674 0.454 2.86 4 143.3 45.2
305 7 5 -2 44.425 88.85 0.454 2.86 4 27.5 1.7
306 3 9 2 44.506 89.011 0.455 2.85 4 70.3 10.8
307 6 4 1 44.546 89.092 0.455 2.85 4 94.5 19.5
308 7 1 0 44.647 89.294 0.456 2.85 4 120.4 31.7
309 2 0 5 44.759 89.519 0.457 2.84 2 62.7 4.3
310 5 9 -1 44.763 89.526 0.457 2.84 4 13.3 0.4
311 3 11 -1 44.779 89.557 0.457 2.84 4 35.6 2.8
312 5 5 2 44.827 89.654 0.458 2.84 4 73.2 11.7
313 6 0 -6 44.856 89.713 0.458 2.84 2 52.6 3.0
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 0 2 0 6.79 13.58 6.515 43.1 4.2 4.2 5.6
2 0 0 1 6.822 13.645 6.48434 21.9 2.1 2.2 5.6
3 0 2 1 9.648 19.297 4.59592 131.5 12.8 12.9 5.6
4 2 0 -1 10.553 21.106 4.2059 157.1 15.3 15.3 5.6
5 2 0 0 11.541 23.082 3.85005 114.1 11.1 11.1 5.6
6 1 3 0 11.748 23.497 3.78302 554.1 53.9 54.0 5.6
7 1 3 -1 12.285 24.57 3.62023 209.1 20.3 20.4 5.6
8 2 2 -1 12.591 25.182 3.53355 259.9 25.3 25.3 5.6
9 1 1 -2 12.835 25.67 3.46746 661.9 64.4 64.4 5.6
10 2 2 0 13.438 26.876 3.31455 1028.5 100.0 100.0 5.6
11 2 0 -2 13.598 27.196 3.27625 479.2 46.6 46.6 5.6
12 0 4 0 13.678 27.356 3.2575 77.4 7.5 7.5 5.6
13 0 0 2 13.744 27.488 3.24217 517.3 50.3 50.3 5.6
14 1 3 1 14.871 29.743 3.00128 612.3 59.5 59.4 5.6
15 2 2 -2 15.258 30.516 2.92699 20.6 2.0 2.0 5.6
16 0 4 1 15.345 30.689 2.91084 288.6 28.1 28.0 5.6
17 0 2 2 15.389 30.778 2.90261 62.7 6.1 6.1 5.6
18 1 3 -2 16.143 32.286 2.7704 337.7 32.8 32.7 5.6
19 3 1 -2 17.277 34.555 2.59354 215.3 20.9 20.8 5.7
20 2 2 1 17.329 34.657 2.58611 47.0 4.6 4.5 5.7
21 2 4 -1 17.403 34.806 2.57539 436.5 42.4 42.2 5.7
22 1 1 2 17.512 35.024 2.55986 175.6 17.1 17.0 5.7
23 3 1 0 17.811 35.621 2.51831 117.3 11.4 11.3 5.7
24 1 5 -1 18.548 37.096 2.42152 117.2 11.4 11.3 5.7
25 3 3 -1 18.882 37.764 2.3802 93.3 9.1 9.0 5.7
26 1 1 -3 19.334 38.667 2.32665 104.3 10.1 10.0 5.7
27 3 3 -2 19.928 39.855 2.26 67.7 6.6 6.5 5.7
28 1 3 2 20.136 40.271 2.23761 39.0 3.8 3.7 5.7
29 2 2 -3 20.198 40.397 2.23093 27.2 2.6 2.6 5.7
30 1 5 1 20.425 40.849 2.20726 127.7 12.4 12.3 5.7
31 0 6 0 20.775 41.55 2.17167 250.0 24.3 24.0 5.7
32 2 4 1 21.19 42.38 2.13103 107.1 10.4 10.3 5.7
33 4 0 -1 21.391 42.782 2.11192 90.5 8.8 8.7 5.7
34 4 0 -2 21.487 42.973 2.10295 66.7 6.5 6.4 5.7
35 1 3 -3 21.771 43.542 2.07681 57.0 5.5 5.5 5.7
36 3 1 1 21.854 43.708 2.06928 77.4 7.5 7.4 5.7
37 0 6 1 21.966 43.932 2.05925 75.4 7.3 7.2 5.7
38 0 2 3 22.054 44.107 2.05149 12.7 1.2 1.2 5.7
39 4 2 -1 22.545 45.091 2.009 14.9 1.4 1.4 5.7
40 4 2 -2 22.637 45.274 2.00128 156.0 15.2 14.9 5.7
41 2 2 2 22.918 45.837 1.97802 118.5 11.5 11.3 5.7
42 3 3 -3 23.25 46.5 1.95133 67.3 6.5 6.4 5.7
43 2 6 -1 23.527 47.055 1.92962 31.8 3.1 3.0 5.7
44 4 0 0 23.587 47.174 1.92502 112.0 10.9 10.7 5.7
45 3 5 -1 23.628 47.257 1.92183 27.4 2.7 2.6 5.7
46 4 0 -3 23.852 47.705 1.90483 53.3 5.2 5.1 5.7
47 3 3 1 24.084 48.168 1.8876 55.3 5.4 5.3 5.7
48 1 1 3 24.457 48.913 1.86056 78.6 7.6 7.5 5.7
49 3 5 -2 24.508 49.017 1.85687 32.0 3.1 3.0 5.7
50 1 5 2 24.685 49.37 1.84439 52.2 5.1 5.0 5.7
51 3 5 0 24.912 49.824 1.82867 48.4 4.7 4.6 5.7
52 2 6 -2 25.185 50.37 1.81012 50.7 4.9 4.8 5.8
53 0 6 2 25.272 50.543 1.80431 68.5 6.7 6.5 5.8
54 0 4 3 25.321 50.642 1.80104 116.8 11.4 11.1 5.8
55 2 0 -4 25.358 50.716 1.79858 237.2 23.1 22.5 5.8
56 4 4 -1 25.765 51.529 1.77208 105.5 10.3 10.0 5.8
57 2 4 2 26.103 52.206 1.75071 24.9 2.4 2.4 5.8
58 2 2 -4 26.378 52.756 1.73373 11.1 1.1 1.0 5.8
59 5 1 -2 27.072 54.144 1.69252 23.9 2.3 2.3 5.8
60 3 5 -3 27.397 54.794 1.67397 112.4 10.9 10.6 5.8
61 1 7 -2 27.771 55.541 1.6532 57.0 5.5 5.4 5.8
62 3 5 1 28.14 56.281 1.63321 100.9 9.8 9.5 5.8
63 0 8 0 28.224 56.449 1.62875 59.8 5.8 5.6 5.8
64 4 2 -4 29.003 58.006 1.58868 82.5 8.0 7.8 5.8
65 0 2 4 29.318 58.635 1.57312 103.5 10.1 9.7 5.8
66 2 2 3 29.522 59.043 1.56323 39.0 3.8 3.7 5.8
67 0 6 3 30.186 60.371 1.53197 37.1 3.6 3.5 5.8
68 5 3 -3 30.273 60.547 1.52795 107.1 10.4 10.0 5.8
69 1 5 3 30.348 60.695 1.52457 13.9 1.3 1.3 5.8
70 3 7 -2 30.392 60.785 1.52254 14.2 1.4 1.3 5.8
71 1 7 2 30.545 61.091 1.51564 17.7 1.7 1.7 5.8
72 4 6 -1 30.581 61.162 1.51404 104.6 10.2 9.8 5.8
73 2 8 0 30.898 61.795 1.50004 232.0 22.6 21.7 5.8
74 5 1 -4 31.53 63.06 1.47297 52.0 5.1 4.9 5.9
75 1 7 -3 31.779 63.558 1.46263 47.6 4.6 4.4 5.9
76 1 1 4 31.979 63.957 1.45445 44.6 4.3 4.2 5.9
77 5 3 0 32.052 64.104 1.45148 56.9 5.5 5.3 5.9
78 2 4 3 32.25 64.499 1.44353 115.9 11.3 10.8 5.9
79 4 6 0 32.325 64.649 1.44054 35.8 3.5 3.3 5.9
80 4 6 -3 32.541 65.081 1.43202 17.6 1.7 1.6 5.9
81 6 0 -2 32.779 65.557 1.42277 98.4 9.6 9.1 5.9
82 4 0 2 33.145 66.29 1.4088 73.3 7.1 6.8 5.9
83 3 7 1 33.604 67.209 1.39177 19.8 1.9 1.8 5.9
84 4 0 -5 33.642 67.283 1.39041 12.7 1.2 1.2 5.9
85 2 6 -4 33.785 67.57 1.3852 59.2 5.8 5.5 5.9
86 5 5 -3 33.837 67.673 1.38333 47.0 4.6 4.4 5.9
87 5 1 1 34.405 68.811 1.36322 11.8 1.1 1.1 5.9
88 4 2 -5 34.505 69.009 1.35978 39.2 3.8 3.6 5.9
89 6 2 -1 34.851 69.702 1.34795 44.8 4.4 4.1 5.9
90 1 9 -2 34.996 69.992 1.34308 93.1 9.1 8.6 5.9
91 6 0 -4 35.599 71.199 1.32325 35.9 3.5 3.3 5.9
92 1 3 -5 35.834 71.669 1.31572 61.7 6.0 5.7 5.9
93 2 4 -5 36.015 72.029 1.31002 38.4 3.7 3.5 5.9
94 5 3 1 36.105 72.21 1.30719 35.4 3.4 3.2 5.9
95 2 0 4 36.163 72.326 1.30537 35.5 3.5 3.3 5.9
96 0 10 0 36.239 72.479 1.303 37.1 3.6 3.4 5.9
97 2 6 3 36.549 73.098 1.29348 23.9 2.3 2.2 6.0
98 4 8 -2 36.74 73.48 1.2877 143.5 14.0 13.2 6.0
99 6 0 0 36.885 73.77 1.28335 16.5 1.6 1.5 6.0
100 2 8 2 36.949 73.898 1.28144 112.8 11.0 10.3 6.0
101 4 4 -5 37.038 74.077 1.27879 49.2 4.8 4.5 6.0
102 0 2 5 37.273 74.545 1.27191 18.6 1.8 1.7 6.0
103 3 9 -2 37.333 74.667 1.27014 27.7 2.7 2.5 6.0
104 6 4 -1 37.375 74.75 1.26893 45.1 4.4 4.1 6.0
105 1 9 2 37.472 74.944 1.26613 13.1 1.3 1.2 6.0
106 6 2 0 37.716 75.432 1.25915 15.6 1.5 1.4 6.0
107 5 7 -2 37.754 75.507 1.25808 11.5 1.1 1.0 6.0
108 3 5 -5 37.804 75.608 1.25665 31.2 3.0 2.9 6.0
109 5 3 -5 37.876 75.751 1.25463 25.5 2.5 2.3 6.0
110 3 7 2 38.03 76.059 1.25031 16.9 1.6 1.5 6.0
111 1 9 -3 38.597 77.195 1.23473 12.4 1.2 1.1 6.0
112 3 5 3 39.063 78.126 1.22232 11.0 1.1 1.0 6.0
113 1 5 -5 39.153 78.306 1.21996 11.8 1.2 1.1 6.0
114 5 5 1 39.416 78.831 1.21315 21.0 2.0 1.9 6.0
115 6 0 -5 39.469 78.938 1.21178 20.3 2.0 1.8 6.0
116 2 10 -2 39.509 79.018 1.21076 21.3 2.1 1.9 6.0
117 0 10 2 39.577 79.154 1.20902 15.1 1.5 1.4 6.0
118 2 8 -4 39.645 79.289 1.20729 14.8 1.4 1.3 6.0
119 0 4 5 39.739 79.478 1.20489 21.0 2.0 1.9 6.0
120 2 6 -5 40.143 80.285 1.1948 25.5 2.5 2.3 6.0
121 3 1 -6 40.175 80.349 1.19401 67.4 6.6 6.1 6.0
122 1 1 5 40.268 80.535 1.19172 21.1 2.1 1.9 6.1
123 6 6 -2 40.334 80.667 1.1901 22.3 2.2 2.0 6.1
124 4 2 3 40.668 81.336 1.182 46.3 4.5 4.2 6.1
125 7 1 -4 41.048 82.096 1.17297 17.7 1.7 1.6 6.1
126 7 3 -3 41.122 82.243 1.17124 34.6 3.4 3.1 6.1
127 1 11 -1 41.362 82.724 1.16565 11.3 1.1 1.0 6.1
128 5 7 -4 41.624 83.248 1.15964 17.8 1.7 1.6 6.1
129 4 8 -4 41.829 83.658 1.155 56.2 5.5 5.0 6.1
130 0 8 4 42.098 84.196 1.14898 61.2 6.0 5.5 6.1
131 5 1 -6 42.286 84.572 1.14483 27.0 2.6 2.4 6.1
132 1 11 1 42.549 85.098 1.1391 11.4 1.1 1.0 6.1
133 1 1 -6 42.689 85.378 1.13607 46.0 4.5 4.1 6.1
134 6 6 -4 42.974 85.947 1.13 10.7 1.0 1.0 6.1
135 4 4 3 43.086 86.172 1.12763 55.2 5.4 4.9 6.1
136 2 6 4 43.51 87.02 1.11881 17.9 1.7 1.6 6.1
137 1 9 -4 43.72 87.439 1.11452 10.7 1.0 0.9 6.2
138 5 9 -2 44.238 88.476 1.10412 29.4 2.9 2.6 6.2
139 7 5 -3 44.337 88.674 1.10216 45.2 4.4 4.0 6.2
140 3 9 2 44.506 89.011 1.09886 10.8 1.1 1.0 6.2
141 6 4 1 44.546 89.092 1.09808 19.5 1.9 1.7 6.2
142 7 1 0 44.647 89.294 1.09611 31.7 3.1 2.8 6.2
143 5 5 2 44.827 89.654 1.09265 14.7 1.4 1.3 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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