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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SILINAITE
1
NaLiSi(2)O(5).2H(2)O
Monoclinic * A2/a Z = 4
R =0.03
25 .3 .1992
Ref.Str.:
Grice J.D. (1991)
* Canad. Mineral., 29, 363-367
Reserv:
A 2/n = *A 2/a
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.061 alpha = 90.0
b = 8.334 beta = 96.6
c = 14.383 gamma = 90.0
Unit cell volume (cub. angs.) = 602.63
Molar volume ( cub.cm/mol.) = 90.75
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.6035 0.25 2.12 Na = 1.00
2 0.25 0.2395 0.25 1.53 Li = 1.00
3 0.0525 0.1526 0.4366 0.74 Si = 1.00
4 0.0096 0.1211 0.3269 1.14 O = 1.00
5 0.361 0.2053 0.4703 1.04 O = 1.00
6 0.0 0.0 0.5 1.61 O = 1.00
7 0.0933 0.8583 0.1594 2.13 O = 1.00
8 0.041 0.855 0.109 0.0 H = 1.00
9 0.219 0.941 0.164 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.6035 0.25
2 2 0.25 0.2395 0.25
3 3 0.0525 0.1526 0.4366
4 4 0.0096 0.1211 0.3269
5 5 0.361 0.2053 0.4703
6 6 0.0 0.0 0.5
7 7 0.0933 0.8583 0.1594
8 8 0.041 0.855 0.109
9 9 0.219 0.941 0.164
10 1 0.75 0.3965 0.75
11 2 0.75 0.7605 0.75
12 3 0.9475 0.8474 0.5634
13 4 0.9904 0.8789 0.6731
14 5 0.639 0.7947 0.5297
15 7 0.9067 0.1417 0.8406
16 8 0.959 0.145 0.891
17 9 0.781 0.059 0.836
18 1 0.75 0.8965 0.25
19 2 0.75 0.2605 0.25
20 3 0.5525 0.3474 0.4366
21 4 0.5096 0.3789 0.3269
22 5 0.861 0.2947 0.4703
23 6 0.5 0.5 0.5
24 7 0.5933 0.6417 0.1594
25 8 0.541 0.645 0.109
26 9 0.719 0.559 0.164
27 1 0.25 0.1035 0.75
28 2 0.25 0.7395 0.75
29 3 0.4475 0.6526 0.5634
30 4 0.4904 0.6211 0.6731
31 5 0.139 0.7053 0.5297
32 7 0.4067 0.3583 0.8406
33 8 0.459 0.355 0.891
34 9 0.281 0.441 0.836
35 3 0.4475 0.1526 0.0634
36 4 0.4904 0.1211 0.1731
37 5 0.139 0.2053 0.0297
38 6 0.5 0.0 0.0
39 7 0.4067 0.8583 0.3406
40 8 0.459 0.855 0.391
41 9 0.281 0.941 0.336
42 3 0.5525 0.8474 0.9366
43 4 0.5096 0.8789 0.8269
44 5 0.861 0.7947 0.9703
45 7 0.5933 0.1417 0.6594
46 8 0.541 0.145 0.609
47 9 0.719 0.059 0.664
48 3 0.9475 0.3474 0.0634
49 4 0.9904 0.3789 0.1731
50 5 0.639 0.2947 0.0297
51 6 0.0 0.5 0.0
52 7 0.9067 0.6417 0.3406
53 8 0.959 0.645 0.391
54 9 0.781 0.559 0.336
55 3 0.0525 0.6526 0.9366
56 4 0.0096 0.6211 0.8269
57 5 0.361 0.7053 0.9703
58 7 0.0933 0.3583 0.6594
59 8 0.041 0.355 0.609
60 9 0.219 0.441 0.664
X-ray density (g/cm cub.) = 2.23
MU (1/cm) = 59.396 Mass attenuation coefficient (cm**2/g) = 26.67
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 6
2.5688 7
2.4737 4
2.3105 7
2.5688 7
2.4737 4
2.3105 7
2 Li 2.448 4
1.9967 4
1.9913 4
1.9967 4
1.9913 4
3 Si 2.1 4
1.5896 4
1.6406 5
1.6047 6
1.6385 5
4 O 3.264 6
2.6582 5
2.6921 6
2.6962 5
3.2345 4
2.9637 7
3.0773 4
5 O 3.264 7
2.6582 4
2.5744 6
2.6962 4
2.6379 5
2.6379 5
2.5769 6
2.8854 7
6 O 3.264 6
2.6921 4
2.5744 5
2.6921 4
2.5744 5
2.5769 5
2.5769 5
7 O 3.264 5
3.1084 7
3.1084 7
2.9637 4
2.891 7
2.8854 5
8 H 1.632 1
0.7431 7
9 H 1.632 1
0.9351 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 0 1 1 6.142 12.285 0.069 171.72 4 20.9 82.5
2 0 0 2 6.19 12.38 0.07 169.06 2 47.7 212.1
3 1 1 -1 10.47 20.941 0.118 57.65 4 60.9 235.5
4 0 2 0 10.653 21.305 0.12 55.63 2 54.7 91.8
5 0 1 3 10.736 21.472 0.121 54.73 4 98.7 587.2
6 1 1 1 11.063 22.126 0.125 51.42 4 67.0 253.9
7 0 2 2 12.357 24.714 0.139 40.8 4 38.0 64.8
8 0 0 4 12.454 24.907 0.14 40.14 2 45.0 44.8
9 1 1 -3 13.243 26.486 0.149 35.26 4 24.6 23.4
10 1 2 0 13.892 27.784 0.156 31.86 4 52.2 95.7
11 1 1 3 14.639 29.278 0.164 28.49 4 75.0 176.7
12 1 2 -2 14.826 29.651 0.166 27.73 4 140.4 601.9
13 1 2 2 15.683 31.366 0.175 24.58 4 111.0 333.4
14 0 3 1 16.408 32.815 0.183 22.29 4 25.5 16.0
15 0 2 4 16.501 33.002 0.184 22.02 4 0.8 0.0
16 0 1 5 16.557 33.114 0.185 21.86 4 94.1 213.1
17 2 0 0 17.844 35.688 0.199 18.57 2 96.2 94.7
18 1 1 -5 17.97 35.94 0.2 18.28 4 39.2 31.0
19 1 2 -4 18.103 36.207 0.202 17.99 4 53.1 55.9
20 2 0 -2 18.236 36.473 0.203 17.7 2 81.3 64.5
21 1 3 -1 18.565 37.13 0.207 17.02 4 4.0 0.3
22 2 1 -1 18.582 37.165 0.207 16.99 4 59.1 65.4
23 0 3 3 18.724 37.447 0.208 16.71 4 30.1 16.6
24 0 0 6 18.873 37.746 0.21 16.42 2 28.0 7.1
25 1 3 1 18.923 37.845 0.211 16.32 4 37.8 25.7
26 2 1 1 19.291 38.583 0.214 15.64 4 29.2 14.7
27 1 2 4 19.529 39.058 0.217 15.22 4 61.2 62.7
28 2 0 2 19.654 39.307 0.218 15.01 2 49.6 20.3
29 1 1 5 19.749 39.498 0.219 14.85 4 6.8 0.8
30 2 1 -3 20.02 40.041 0.222 14.4 4 28.6 13.0
31 1 3 -3 20.34 40.68 0.226 13.9 4 53.7 44.1
32 2 0 -4 20.723 41.446 0.23 13.34 2 86.7 55.2
33 2 2 0 20.969 41.939 0.232 12.99 4 0.9 0.0
34 2 2 -2 21.313 42.625 0.236 12.52 4 6.2 0.5
35 1 3 3 21.322 42.644 0.236 12.51 4 37.7 19.6
36 0 4 0 21.697 43.395 0.24 12.03 2 110.9 81.5
37 0 2 6 21.874 43.748 0.242 11.81 4 18.3 4.4
38 2 1 3 21.972 43.944 0.243 11.7 4 67.7 59.1
39 2 2 2 22.568 45.137 0.249 11.01 4 18.5 4.1
40 0 4 2 22.65 45.301 0.25 10.92 4 45.1 24.5
41 0 3 5 22.75 45.5 0.251 10.81 4 36.2 15.6
42 1 2 -6 22.858 45.715 0.252 10.7 4 23.6 6.6
43 0 1 7 22.864 45.727 0.252 10.69 4 72.0 61.0
44 2 0 4 23.232 46.464 0.256 10.31 2 4.9 0.1
45 2 1 -5 23.273 46.546 0.256 10.27 4 10.9 1.3
46 2 2 -4 23.53 47.06 0.259 10.02 4 21.3 5.0
47 1 4 0 23.59 47.181 0.26 9.96 4 21.6 5.1
48 1 1 -7 23.668 47.335 0.261 9.89 4 69.9 53.3
49 1 3 -5 23.853 47.705 0.262 9.71 4 52.8 29.8
50 1 4 -2 24.196 48.392 0.266 9.4 4 75.2 58.6
51 2 3 -1 24.342 48.684 0.268 9.28 4 96.6 95.4
52 1 2 6 24.629 49.258 0.271 9.03 4 79.2 62.4
53 1 4 2 24.773 49.546 0.272 8.91 4 14.8 2.2
54 2 0 -6 24.786 49.571 0.272 8.9 2 36.9 6.7
55 2 3 1 24.916 49.832 0.273 8.8 4 13.4 1.7
56 1 3 5 25.291 50.582 0.277 8.5 4 28.0 7.3
57 0 4 4 25.341 50.682 0.278 8.47 4 42.9 17.1
58 2 3 -3 25.515 51.031 0.28 8.33 4 12.8 1.5
59 0 0 8 25.55 51.1 0.28 8.31 2 45.4 9.4
60 1 1 7 25.676 51.351 0.281 8.22 4 14.0 1.8
61 2 2 4 25.825 51.649 0.283 8.11 4 21.8 4.2
62 2 1 5 26.14 52.279 0.286 7.89 4 59.8 31.0
63 1 4 -4 26.498 52.996 0.29 7.65 4 30.9 8.1
64 2 3 3 27.157 54.315 0.296 7.23 4 22.3 4.0
65 2 2 -6 27.269 54.538 0.297 7.16 4 15.6 1.9
66 1 4 4 27.573 55.146 0.3 6.98 4 15.8 1.9
67 0 5 1 27.727 55.455 0.302 6.9 4 10.7 0.9
68 3 1 -1 27.766 55.532 0.302 6.88 4 4.0 0.1
69 2 1 -7 27.853 55.706 0.303 6.83 4 4.5 0.2
70 0 3 7 27.924 55.848 0.304 6.79 4 25.7 4.9
71 0 2 8 27.985 55.97 0.305 6.75 4 33.1 8.1
72 2 0 6 28.063 56.126 0.305 6.71 2 46.7 8.1
73 2 3 -5 28.279 56.559 0.308 6.6 4 39.3 11.2
74 3 1 1 28.55 57.101 0.31 6.45 4 95.5 64.8
75 1 2 -8 28.554 57.108 0.31 6.45 4 31.5 7.1
76 3 1 -3 28.582 57.164 0.311 6.44 4 12.4 1.1
77 1 3 -7 28.623 57.246 0.311 6.42 4 118.9 100.0
78 2 4 0 28.698 57.395 0.312 6.38 4 51.7 18.8
79 2 4 -2 28.971 57.942 0.314 6.24 4 1.9 0.0
80 1 5 -1 29.203 58.405 0.317 6.13 4 30.0 6.1
81 0 5 3 29.315 58.631 0.318 6.08 4 54.4 19.8
82 0 4 6 29.422 58.844 0.319 6.03 4 19.3 2.5
83 1 5 1 29.457 58.915 0.319 6.01 4 16.2 1.7
84 0 1 9 29.599 59.199 0.321 5.95 4 17.4 2.0
85 3 2 0 29.698 59.395 0.322 5.91 4 14.9 1.4
86 3 2 -2 29.713 59.426 0.322 5.9 4 114.3 84.9
87 2 0 -8 29.969 59.939 0.324 5.79 2 32.5 3.4
88 2 4 2 29.987 59.974 0.324 5.78 4 17.5 2.0
89 1 1 -9 30.024 60.047 0.325 5.76 4 11.5 0.8
90 1 4 -6 30.224 60.449 0.327 5.68 4 12.7 1.0
91 2 2 6 30.362 60.724 0.328 5.62 4 35.6 7.8
92 1 3 7 30.4 60.8 0.328 5.61 4 41.2 10.5
93 1 5 -3 30.494 60.988 0.329 5.57 4 25.9 4.1
94 1 2 8 30.582 61.165 0.33 5.53 4 19.6 2.3
95 2 4 -4 30.781 61.562 0.332 5.45 4 89.0 47.6
96 2 3 5 30.816 61.632 0.333 5.44 4 14.7 1.3
97 3 1 3 30.857 61.714 0.333 5.42 4 17.7 1.9
98 3 1 -5 30.918 61.835 0.334 5.4 4 7.0 0.3
99 3 2 2 31.207 62.414 0.336 5.29 4 21.1 2.6
100 1 5 3 31.235 62.47 0.337 5.28 4 4.7 0.1
101 3 2 -4 31.252 62.505 0.337 5.27 4 16.8 1.6
102 2 1 7 31.4 62.799 0.338 5.22 4 37.4 8.1
103 1 4 6 31.704 63.408 0.341 5.11 4 2.5 0.0
104 2 2 -8 32.184 64.368 0.346 4.94 4 1.6 0.0
105 1 1 9 32.237 64.473 0.346 4.93 4 35.3 6.7
106 3 3 -1 32.289 64.579 0.347 4.91 4 5.8 0.2
107 0 5 5 32.344 64.688 0.347 4.89 4 51.0 14.0
108 2 3 -7 32.369 64.738 0.348 4.88 4 5.2 0.1
109 0 0 10 32.624 65.248 0.35 4.8 2 79.1 16.5
110 2 4 4 32.726 65.452 0.351 4.77 4 7.1 0.3
111 3 3 1 33.008 66.016 0.354 4.68 4 86.1 38.2
112 3 3 -3 33.037 66.074 0.354 4.67 4 50.0 12.9
113 1 5 -5 33.224 66.448 0.356 4.62 4 52.0 13.7
114 2 1 -9 33.441 66.883 0.358 4.55 4 59.9 18.0
115 2 5 -1 33.621 67.241 0.359 4.5 4 75.0 27.9
116 0 6 0 33.68 67.36 0.36 4.49 2 54.4 7.3
117 2 0 8 33.852 67.703 0.362 4.44 2 116.3 33.0
118 0 3 9 33.976 67.952 0.363 4.41 4 53.9 14.1
119 2 4 -6 33.984 67.967 0.363 4.4 4 28.5 3.9
120 2 5 1 34.091 68.182 0.364 4.37 4 19.3 1.8
121 3 2 4 34.126 68.251 0.364 4.37 4 22.0 2.3
122 3 2 -6 34.198 68.395 0.365 4.35 4 10.7 0.5
123 1 3 -9 34.37 68.74 0.366 4.3 4 61.6 18.0
124 0 6 2 34.398 68.797 0.367 4.29 4 62.3 18.4
125 1 5 5 34.401 68.801 0.367 4.29 4 28.4 3.8
126 3 1 5 34.509 69.018 0.368 4.27 4 47.9 10.8
127 2 5 -3 34.587 69.173 0.368 4.25 4 28.0 3.7
128 3 1 -7 34.595 69.189 0.369 4.24 4 5.9 0.2
129 0 4 8 34.615 69.231 0.369 4.24 4 62.3 18.1
130 0 2 10 34.745 69.491 0.37 4.21 4 30.7 4.4
131 1 2 -10 35.019 70.039 0.372 4.14 4 97.9 43.7
132 1 4 -8 35.121 70.243 0.373 4.12 4 28.8 3.8
133 1 6 0 35.123 70.246 0.373 4.12 4 4.1 0.1
134 3 3 3 35.147 70.294 0.374 4.11 4 39.8 7.2
135 3 3 -5 35.204 70.408 0.374 4.1 4 36.6 6.1
136 1 6 -2 35.598 71.196 0.378 4.01 4 37.0 6.1
137 2 3 7 35.656 71.311 0.378 3.99 4 0.6 0.0
138 2 2 8 35.938 71.877 0.381 3.93 4 46.5 9.4
139 2 5 3 35.971 71.943 0.381 3.93 4 33.5 4.9
140 1 6 2 36.057 72.113 0.382 3.91 4 71.6 22.0
141 2 0 -10 36.065 72.131 0.382 3.91 2 36.1 2.8
142 3 4 0 36.148 72.296 0.383 3.89 4 37.1 5.9
143 3 4 -2 36.162 72.325 0.383 3.89 4 44.2 8.4
144 1 3 9 36.444 72.887 0.386 3.83 4 53.0 11.9
145 0 6 4 36.513 73.027 0.386 3.81 4 11.7 0.6
146 0 5 7 36.63 73.26 0.387 3.79 4 24.8 2.6
147 2 4 6 36.751 73.501 0.388 3.77 4 34.3 4.9
148 0 1 11 36.884 73.767 0.39 3.74 4 12.3 0.6
149 2 5 -5 36.938 73.876 0.39 3.73 4 36.9 5.6
150 1 4 8 36.951 73.903 0.39 3.73 4 7.5 0.2
151 1 1 -11 37.038 74.076 0.391 3.71 4 14.5 0.9
152 1 5 -7 37.237 74.475 0.393 3.68 4 6.0 0.1
153 1 2 10 37.304 74.608 0.393 3.66 4 49.3 9.8
154 1 6 -4 37.46 74.92 0.395 3.64 4 9.1 0.3
155 3 4 2 37.523 75.045 0.395 3.63 4 7.3 0.2
156 3 4 -4 37.564 75.128 0.396 3.62 4 51.9 10.7
157 4 0 -2 37.585 75.171 0.396 3.61 2 58.2 6.8
158 2 3 -9 37.585 75.171 0.396 3.61 4 7.8 0.2
159 2 1 9 37.586 75.173 0.396 3.61 4 15.4 0.9
160 4 0 0 37.796 75.593 0.398 3.58 2 32.8 2.1
161 4 1 -1 38.024 76.048 0.4 3.54 4 67.3 17.6
162 2 2 -10 38.101 76.201 0.401 3.53 4 3.4 0.0
163 3 2 6 38.308 76.615 0.402 3.49 4 55.2 11.7
164 1 6 4 38.358 76.716 0.403 3.49 4 5.4 0.1
165 3 2 -8 38.404 76.808 0.403 3.48 4 40.8 6.4
166 2 4 -8 38.423 76.846 0.403 3.48 4 61.5 14.5
167 4 1 -3 38.499 76.998 0.404 3.46 4 13.2 0.7
168 3 3 5 38.604 77.209 0.405 3.45 4 30.4 3.5
169 3 3 -7 38.687 77.373 0.406 3.44 4 55.6 11.7
170 4 0 -4 38.746 77.493 0.406 3.43 2 44.9 3.8
171 1 5 7 38.807 77.614 0.407 3.42 4 3.2 0.0
172 4 1 1 38.918 77.835 0.408 3.4 4 37.8 5.4
173 2 5 5 39.18 78.36 0.41 3.36 4 48.3 8.6
174 2 6 0 39.315 78.631 0.411 3.34 4 61.2 13.8
175 3 1 7 39.355 78.71 0.412 3.34 4 7.3 0.2
176 4 0 2 39.372 78.745 0.412 3.34 2 6.6 0.1
177 3 1 -9 39.464 78.928 0.413 3.32 4 29.1 3.1
178 1 1 11 39.5 79.0 0.413 3.32 4 11.8 0.5
179 2 6 -2 39.551 79.101 0.413 3.31 4 8.4 0.3
180 4 2 -2 39.594 79.187 0.414 3.31 4 29.3 3.1
181 4 2 0 39.801 79.603 0.416 3.28 4 24.1 2.1
182 0 6 6 39.941 79.883 0.417 3.26 4 3.2 0.0
183 2 1 -11 39.952 79.905 0.417 3.26 4 41.5 6.2
184 3 4 4 40.236 80.473 0.419 3.23 4 12.8 0.6
185 3 4 -6 40.304 80.609 0.42 3.22 4 4.8 0.1
186 0 0 12 40.312 80.623 0.42 3.22 2 49.9 4.4
187 4 1 -5 40.328 80.657 0.42 3.21 4 36.1 4.6
188 2 6 2 40.434 80.869 0.421 3.2 4 28.6 2.9
189 0 7 1 40.483 80.966 0.421 3.2 4 7.1 0.2
190 3 5 -1 40.515 81.031 0.422 3.19 4 37.9 5.0
191 2 0 10 40.543 81.086 0.422 3.19 2 39.8 2.8
192 2 5 -7 40.588 81.176 0.422 3.18 4 1.1 0.0
193 1 6 -6 40.643 81.286 0.423 3.18 4 2.8 0.0
194 4 2 -4 40.738 81.476 0.424 3.17 4 40.9 5.8
195 0 4 10 40.822 81.643 0.424 3.16 4 54.0 10.1
196 0 3 11 40.893 81.787 0.425 3.15 4 7.0 0.2
197 1 3 -11 41.043 82.086 0.426 3.13 4 1.9 0.0
198 1 4 -10 41.081 82.163 0.427 3.13 4 36.2 4.5
199 2 6 -4 41.135 82.27 0.427 3.12 4 12.7 0.6
200 4 1 3 41.154 82.309 0.427 3.12 4 3.6 0.0
201 3 5 1 41.175 82.35 0.427 3.12 4 1.5 0.0
202 3 5 -3 41.202 82.404 0.428 3.12 4 14.8 0.8
203 4 0 -6 41.245 82.491 0.428 3.11 2 62.6 6.7
204 4 2 2 41.357 82.713 0.429 3.1 4 6.6 0.1
205 2 3 9 41.576 83.153 0.431 3.08 4 24.7 2.1
206 1 7 -1 41.731 83.462 0.432 3.06 4 45.1 6.9
207 0 7 3 41.828 83.655 0.433 3.05 4 14.2 0.7
208 1 7 1 41.95 83.9 0.434 3.04 4 66.4 14.8
209 2 4 8 41.956 83.913 0.434 3.04 4 64.2 13.8
210 1 6 6 41.96 83.919 0.434 3.04 4 52.2 9.1
211 4 3 -1 42.003 84.006 0.434 3.04 4 13.4 0.6
212 0 5 9 42.072 84.145 0.435 3.03 4 38.5 4.9
213 4 0 4 42.273 84.546 0.437 3.01 2 67.2 7.5
214 0 2 12 42.286 84.573 0.437 3.01 4 15.8 0.8
215 1 2 -12 42.326 84.652 0.437 3.01 4 42.1 5.9
216 1 5 -9 42.44 84.88 0.438 3.0 4 11.0 0.4
217 4 3 -3 42.467 84.934 0.438 3.0 4 17.6 1.0
218 2 2 10 42.516 85.032 0.439 2.99 4 38.2 4.8
219 1 7 -3 42.851 85.702 0.441 2.97 4 27.4 2.4
220 4 3 1 42.877 85.754 0.442 2.96 4 9.4 0.3
221 2 6 4 42.885 85.771 0.442 2.96 4 48.1 7.5
222 2 0 -12 43.1 86.2 0.444 2.95 2 50.4 4.1
223 3 5 3 43.17 86.34 0.444 2.94 4 57.5 10.7
224 4 2 -6 43.213 86.426 0.444 2.94 4 36.8 4.4
225 3 5 -5 43.224 86.448 0.445 2.94 4 5.9 0.1
226 1 4 10 43.268 86.537 0.445 2.93 4 29.8 2.9
227 3 3 7 43.306 86.612 0.445 2.93 4 0.7 0.0
228 3 3 -9 43.413 86.826 0.446 2.92 4 43.5 6.1
229 1 3 11 43.448 86.897 0.446 2.92 4 17.4 1.0
230 4 1 -7 43.475 86.949 0.447 2.92 4 18.9 1.1
231 1 7 3 43.505 87.01 0.447 2.92 4 41.4 5.5
232 2 5 7 43.651 87.302 0.448 2.91 4 33.3 3.6
233 3 2 8 43.684 87.367 0.448 2.9 4 66.1 14.0
234 3 2 -10 43.804 87.608 0.449 2.9 4 29.2 2.7
235 2 3 -11 43.894 87.788 0.45 2.89 4 35.2 3.9
236 2 4 -10 44.041 88.081 0.451 2.88 4 19.5 1.2
237 2 6 -6 44.042 88.084 0.451 2.88 4 45.7 6.6
238 4 2 4 44.235 88.47 0.453 2.87 4 5.2 0.1
239 3 4 6 44.242 88.483 0.453 2.87 4 50.4 8.0
240 4 3 -5 44.265 88.529 0.453 2.87 4 21.1 1.4
241 3 4 -8 44.335 88.671 0.454 2.86 4 7.2 0.2
242 1 5 9 44.402 88.803 0.454 2.86 4 40.8 5.2
243 0 7 5 44.499 88.997 0.455 2.85 4 43.0 5.8
244 0 6 8 44.63 89.261 0.456 2.85 4 44.1 6.1
245 4 1 5 44.701 89.401 0.457 2.84 4 14.0 0.6
246 2 1 11 44.765 89.531 0.457 2.84 4 40.5 5.1
247 1 1 -13 44.916 89.832 0.458 2.83 4 27.1 2.3
248 1 2 12 44.941 89.882 0.459 2.83 4 46.9 6.9
249 0 1 13 44.985 89.971 0.459 2.83 4 22.1 1.5
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 0 1 1 6.142 12.285 7.19884 82.5 13.7 13.9 5.6
2 0 0 2 6.19 12.38 7.14384 212.1 35.2 35.7 5.6
3 1 1 -1 10.47 20.941 4.23864 235.5 39.1 39.4 5.6
4 0 2 0 10.653 21.305 4.167 91.8 15.2 15.3 5.6
5 0 1 3 10.736 21.472 4.135 587.2 97.6 98.2 5.6
6 1 1 1 11.063 22.126 4.01413 253.9 42.2 42.4 5.6
7 0 2 2 12.357 24.714 3.59942 64.8 10.8 10.8 5.6
8 0 0 4 12.454 24.907 3.57192 44.8 7.4 7.5 5.6
9 1 1 -3 13.243 26.486 3.36243 23.4 3.9 3.9 5.6
10 1 2 0 13.892 27.784 3.20824 95.7 15.9 15.9 5.6
11 1 1 3 14.639 29.278 3.04784 176.7 29.4 29.4 5.6
12 1 2 -2 14.826 29.651 3.01034 601.9 100.0 100.0 5.6
13 1 2 2 15.683 31.366 2.84959 333.4 55.4 55.3 5.6
14 0 3 1 16.408 32.815 2.72693 16.0 2.7 2.6 5.6
15 0 1 5 16.557 33.114 2.70306 213.1 35.4 35.3 5.6
16 2 0 0 17.844 35.688 2.51373 94.7 15.7 15.6 5.7
17 1 1 -5 17.97 35.94 2.49667 31.0 5.1 5.1 5.7
18 1 2 -4 18.103 36.207 2.47892 55.9 9.3 9.2 5.7
19 2 0 -2 18.236 36.473 2.46145 64.5 10.7 10.7 5.7
20 2 1 -1 18.582 37.165 2.41717 65.4 10.9 10.8 5.7
21 0 3 3 18.724 37.447 2.39961 16.6 2.8 2.7 5.7
22 0 0 6 18.873 37.746 2.38128 7.1 1.2 1.2 5.7
23 1 3 1 18.923 37.845 2.37529 25.7 4.3 4.2 5.7
24 2 1 1 19.291 38.583 2.33156 14.7 2.4 2.4 5.7
25 1 2 4 19.529 39.058 2.30428 62.7 10.4 10.3 5.7
26 2 0 2 19.654 39.307 2.29023 20.3 3.4 3.3 5.7
27 2 1 -3 20.02 40.041 2.24994 13.0 2.2 2.1 5.7
28 1 3 -3 20.34 40.68 2.21604 44.1 7.3 7.3 5.7
29 2 0 -4 20.723 41.446 2.17683 55.2 9.2 9.1 5.7
30 1 3 3 21.322 42.644 2.11842 19.6 3.2 3.2 5.7
31 0 4 0 21.697 43.395 2.0835 81.5 13.5 13.4 5.7
32 2 1 3 21.972 43.944 2.05871 59.1 9.8 9.7 5.7
33 0 4 2 22.65 45.301 2.00017 24.5 4.1 4.0 5.7
34 0 3 5 22.75 45.5 1.99187 15.6 2.6 2.6 5.7
35 0 1 7 22.864 45.727 1.98251 67.6 11.2 11.1 5.7
36 1 1 -7 23.668 47.335 1.91884 53.3 8.9 8.7 5.7
37 1 3 -5 23.853 47.705 1.90482 29.8 5.0 4.9 5.7
38 1 4 -2 24.196 48.392 1.87938 58.6 9.7 9.6 5.7
39 2 3 -1 24.342 48.684 1.8688 95.4 15.9 15.6 5.7
40 1 2 6 24.629 49.258 1.84834 62.4 10.4 10.2 5.7
41 2 0 -6 24.786 49.571 1.8374 8.8 1.5 1.4 5.7
42 1 3 5 25.291 50.582 1.80301 7.3 1.2 1.2 5.8
43 0 4 4 25.341 50.682 1.79971 17.1 2.8 2.8 5.8
44 0 0 8 25.55 51.1 1.78596 9.4 1.6 1.5 5.8
45 2 1 5 26.14 52.279 1.74841 31.0 5.2 5.0 5.8
46 1 4 -4 26.498 52.996 1.72644 8.1 1.3 1.3 5.8
47 0 2 8 27.985 55.97 1.64154 8.1 1.4 1.3 5.8
48 2 0 6 28.063 56.126 1.63734 8.1 1.3 1.3 5.8
49 2 3 -5 28.279 56.559 1.62585 11.2 1.9 1.8 5.8
50 3 1 1 28.55 57.101 1.6117 71.9 11.9 11.6 5.8
51 1 3 -7 28.623 57.246 1.60794 100.0 16.6 16.1 5.8
52 2 4 0 28.698 57.395 1.60412 18.8 3.1 3.0 5.8
53 1 5 -1 29.203 58.405 1.57876 6.1 1.0 1.0 5.8
54 0 5 3 29.315 58.631 1.57323 19.8 3.3 3.2 5.8
55 3 2 -2 29.713 59.426 1.55406 86.3 14.3 13.9 5.8
56 2 2 6 30.362 60.724 1.52392 7.8 1.3 1.3 5.8
57 1 3 7 30.4 60.8 1.52219 10.5 1.7 1.7 5.8
58 2 4 -4 30.781 61.562 1.50517 47.6 7.9 7.6 5.8
59 2 1 7 31.4 62.799 1.47846 8.1 1.3 1.3 5.9
60 1 1 9 32.237 64.473 1.44405 6.7 1.1 1.1 5.9
61 0 5 5 32.344 64.688 1.43977 14.2 2.4 2.3 5.9
62 0 0 10 32.624 65.248 1.42877 16.5 2.7 2.6 5.9
63 3 3 1 33.008 66.016 1.41399 51.1 8.5 8.1 5.9
64 1 5 -5 33.224 66.448 1.40584 13.7 2.3 2.2 5.9
65 2 1 -9 33.441 66.883 1.39776 18.0 3.0 2.9 5.9
66 2 5 -1 33.621 67.241 1.39118 27.9 4.6 4.4 5.9
67 0 6 0 33.68 67.36 1.389 7.3 1.2 1.2 5.9
68 2 0 8 33.852 67.703 1.3828 33.0 5.5 5.2 5.9
69 0 3 9 33.976 67.952 1.37833 18.0 3.0 2.9 5.9
70 0 6 2 34.398 68.797 1.36347 40.2 6.7 6.4 5.9
71 3 1 5 34.509 69.018 1.35964 10.8 1.8 1.7 5.9
72 0 4 8 34.615 69.231 1.35597 21.9 3.6 3.5 5.9
73 1 2 -10 35.019 70.039 1.34229 43.7 7.3 6.9 5.9
74 3 3 3 35.147 70.294 1.33804 11.0 1.8 1.7 5.9
75 3 3 -5 35.204 70.408 1.33616 6.1 1.0 1.0 5.9
76 1 6 -2 35.598 71.196 1.32328 6.1 1.0 1.0 5.9
77 2 2 8 35.938 71.877 1.31243 9.4 1.6 1.5 5.9
78 1 6 2 36.057 72.113 1.3087 24.8 4.1 3.9 5.9
79 3 4 -2 36.162 72.325 1.3054 14.3 2.4 2.2 5.9
80 1 3 9 36.444 72.887 1.29669 11.9 2.0 1.9 6.0
81 1 2 10 37.304 74.608 1.271 9.8 1.6 1.5 6.0
82 3 4 -4 37.564 75.128 1.26348 18.7 3.1 2.9 6.0
83 4 1 -1 38.024 76.048 1.25047 17.6 2.9 2.8 6.0
84 3 2 6 38.308 76.615 1.24262 11.7 2.0 1.8 6.0
85 2 4 -8 38.423 76.846 1.23946 20.9 3.5 3.3 6.0
86 3 3 -7 38.687 77.373 1.23233 11.7 1.9 1.8 6.0
87 2 5 5 39.18 78.36 1.21927 8.6 1.4 1.3 6.0
88 2 6 0 39.315 78.631 1.21574 13.8 2.3 2.1 6.0
89 2 1 -11 39.952 79.905 1.19953 6.2 1.0 1.0 6.0
90 4 1 -5 40.328 80.657 1.19023 9.0 1.5 1.4 6.1
91 3 5 -1 40.515 81.031 1.18568 7.8 1.3 1.2 6.1
92 0 4 10 40.822 81.643 1.17832 10.1 1.7 1.6 6.1
93 4 0 -6 41.245 82.491 1.16835 6.7 1.1 1.0 6.1
94 1 7 -1 41.731 83.462 1.15721 6.9 1.1 1.1 6.1
95 1 7 1 41.95 83.9 1.15228 37.7 6.3 5.8 6.1
96 4 0 4 42.273 84.546 1.14511 8.3 1.4 1.3 6.1
97 2 6 4 42.885 85.771 1.13188 7.5 1.3 1.2 6.1
98 3 5 3 43.17 86.34 1.12586 10.7 1.8 1.6 6.1
99 3 3 -9 43.413 86.826 1.12081 6.1 1.0 0.9 6.1
100 1 7 3 43.505 87.01 1.11892 6.6 1.1 1.0 6.1
101 3 2 8 43.684 87.367 1.11526 14.0 2.3 2.1 6.2
102 2 6 -6 44.042 88.084 1.10802 7.8 1.3 1.2 6.2
103 3 4 6 44.242 88.483 1.10405 9.4 1.6 1.4 6.2
104 0 6 8 44.63 89.261 1.09643 6.1 1.0 0.9 6.2
105 1 2 12 44.941 89.882 1.09046 9.2 1.5 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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