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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FORSTERITE
64, t-olivine, analogue
Li(2)ZnCl(4)
Orthorhombic P nma Z = 4
R =0.027 NR =257
15 .6 .1998
Ref.Str.:
Sassmannshausen M., Solinas I., Luttz H.D. (1996)
* Z. Kristallogr., 211, 11, 819-820
Reserv:
In original - olivine[62]. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.776 alpha = 90.0
b = 7.4176 beta = 90.0
c = 6.111 gamma = 90.0
Unit cell volume (cub. angs.) = 579.12
Molar volume ( cub.cm/mol.) = 87.21
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Li = 1.00
2 0.2697 0.25 0.9959 0.0 Li = 1.00
3 0.0894 0.25 0.4181 0.0 Zn = 1.00
4 0.0891 0.25 0.7839 0.0 Cl = 1.00
5 0.4272 0.25 0.2451 0.0 Cl = 1.00
6 0.1658 0.0081 0.2525 0.0 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.2697 0.25 0.9959
3 3 0.0894 0.25 0.4181
4 4 0.0891 0.25 0.7839
5 5 0.4272 0.25 0.2451
6 6 0.1658 0.0081 0.2525
7 1 0.5 0.0 0.5
8 2 0.2303 0.75 0.4959
9 3 0.4106 0.75 0.9181
10 4 0.4109 0.75 0.2839
11 5 0.0728 0.75 0.7451
12 6 0.3342 0.9919 0.7525
13 1 0.5 0.5 0.5
14 6 0.3342 0.5081 0.7525
15 1 0.0 0.5 0.0
16 6 0.1658 0.4919 0.2525
17 2 0.7697 0.25 0.5041
18 3 0.5894 0.25 0.0819
19 4 0.5891 0.25 0.7161
20 5 0.9272 0.25 0.2549
21 6 0.6658 0.0081 0.2475
22 2 0.7303 0.75 0.0041
23 3 0.9106 0.75 0.5819
24 4 0.9109 0.75 0.2161
25 5 0.5728 0.75 0.7549
26 6 0.8342 0.9919 0.7475
27 6 0.8342 0.5081 0.7475
28 6 0.6658 0.4919 0.2475
X-ray density (g/cm cub.) = 2.53
MU (1/cm) = 217.669 Mass attenuation coefficient (cm**2/g) = 85.874
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.988 6
2.5453 4
2.6214 6
2.5943 5
2.5943 5
2.5453 4
2.6214 6
2 Li 2.988 6
2.6462 4
2.5235 5
2.7277 6
2.5606 6
2.5606 6
2.7277 6
3 Zn 3.168 4
2.2354 4
2.2796 6
2.2796 6
2.2998 5
4 Cl 4.344 12
3.5185 6
3.8374 6
3.7222 5
3.7222 5
3.6753 6
3.6753 6
3.5185 6
3.8374 6
3.5444 5
3.8378 5
3.7842 6
3.7842 6
5 Cl 4.344 12
3.7914 6
3.7222 4
3.7222 4
3.8329 6
3.7602 6
3.8329 6
3.7602 6
3.7914 6
3.5444 4
3.8378 4
3.5373 6
3.5373 6
6 Cl 4.344 12
3.8374 4
3.5185 4
3.7914 5
3.6753 4
3.7602 5
3.8329 5
3.7389 6
3.7389 6
3.5886 6
3.829 6
3.5373 5
3.7842 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 2 0 0 6.926 13.851 0.078 134.59 2 51.3 211.3
2 1 0 1 8.032 16.064 0.091 99.5 4 61.9 454.4
3 2 1 0 9.157 18.313 0.103 76.05 4 104.6 992.4
4 0 1 1 9.399 18.799 0.106 72.06 4 58.9 297.7
5 1 1 1 10.026 20.051 0.113 63.08 8 32.0 154.5
6 2 0 1 10.046 20.092 0.113 62.81 4 50.3 189.4
7 2 1 1 11.713 23.426 0.132 45.64 8 29.4 94.4
8 0 2 0 11.987 23.974 0.135 43.49 2 100.9 264.2
9 3 0 1 12.736 25.472 0.143 38.29 4 20.5 19.3
10 2 2 0 13.896 27.792 0.156 31.84 4 138.6 729.6
11 4 0 0 13.955 27.911 0.157 31.55 2 151.9 434.0
12 3 1 1 14.105 28.209 0.158 30.84 8 77.6 442.6
13 1 2 1 14.496 28.992 0.162 29.1 8 70.1 341.5
14 0 0 2 14.602 29.203 0.164 28.65 2 147.0 369.0
15 1 0 2 15.023 30.046 0.168 26.96 4 57.1 104.7
16 4 1 0 15.223 30.445 0.17 26.2 4 63.3 125.2
17 2 2 1 15.737 31.474 0.176 24.4 8 136.8 1088.5
18 4 0 1 15.79 31.581 0.177 24.22 4 144.3 601.3
19 1 1 2 16.214 32.429 0.181 22.87 8 88.8 430.1
20 2 0 2 16.227 32.455 0.181 22.83 4 19.8 10.6
21 4 1 1 16.933 33.867 0.189 20.82 8 13.5 9.0
22 2 1 2 17.345 34.69 0.194 19.76 8 35.0 57.7
23 3 2 1 17.631 35.262 0.197 19.06 8 1.6 0.1
24 3 0 2 18.076 36.151 0.201 18.05 4 94.0 190.4
25 4 2 0 18.558 37.117 0.207 17.04 4 49.4 49.5
26 0 2 2 19.064 38.129 0.212 16.05 4 49.7 47.3
27 5 0 1 19.071 38.143 0.212 16.04 4 66.7 85.2
28 3 1 2 19.098 38.196 0.212 15.99 8 10.3 4.0
29 1 2 2 19.399 38.798 0.216 15.45 8 47.3 82.5
30 2 3 0 19.515 39.03 0.217 15.24 4 70.4 90.2
31 0 3 1 19.638 39.275 0.218 15.03 4 29.8 15.9
32 1 3 1 19.964 39.929 0.222 14.49 8 27.8 26.7
33 4 2 1 20.018 40.037 0.222 14.41 8 32.0 35.2
34 5 1 1 20.051 40.101 0.223 14.35 8 14.9 7.6
35 2 2 2 20.376 40.752 0.226 13.85 8 86.0 244.3
36 4 0 2 20.418 40.837 0.226 13.79 4 70.9 82.6
37 2 3 1 20.919 41.838 0.232 13.06 8 33.8 35.5
38 6 0 0 21.208 42.415 0.235 12.66 2 77.1 44.9
39 4 1 2 21.346 42.692 0.236 12.48 8 52.8 83.1
40 3 2 2 21.923 43.847 0.242 11.75 8 87.4 214.1
41 6 1 0 22.108 44.216 0.244 11.53 4 50.6 35.2
42 3 3 1 22.436 44.872 0.248 11.16 8 68.0 122.9
43 1 0 3 22.515 45.029 0.249 11.07 4 12.8 2.2
44 6 0 1 22.524 45.049 0.249 11.06 4 19.9 5.2
45 5 2 1 22.778 45.557 0.251 10.78 8 51.1 67.2
46 0 1 3 23.088 46.176 0.255 10.46 4 69.5 60.3
47 5 0 2 23.14 46.279 0.255 10.41 4 25.1 7.8
48 4 3 0 23.202 46.404 0.256 10.34 4 71.0 62.2
49 1 1 3 23.375 46.751 0.258 10.17 8 10.1 2.5
50 6 1 1 23.385 46.77 0.258 10.16 8 33.6 27.3
51 2 0 3 23.385 46.77 0.258 10.16 4 64.5 50.4
52 1 3 2 23.908 47.816 0.263 9.66 8 76.4 134.4
53 4 2 2 23.955 47.909 0.264 9.62 8 36.2 30.0
54 5 1 2 23.983 47.966 0.264 9.59 8 84.6 163.7
55 2 1 3 24.221 48.443 0.266 9.38 8 26.8 16.0
56 4 3 1 24.434 48.868 0.269 9.2 8 3.6 0.3
57 0 4 0 24.543 49.086 0.27 9.1 2 260.7 369.1
58 6 2 0 24.653 49.307 0.271 9.01 4 253.4 690.2
59 2 3 2 24.74 49.48 0.272 8.94 8 45.8 44.8
60 3 0 3 24.783 49.565 0.272 8.91 4 8.4 0.7
61 3 1 3 25.585 51.17 0.28 8.28 8 36.2 25.9
62 2 4 0 25.628 51.256 0.281 8.25 4 38.0 14.2
63 1 2 3 25.825 51.649 0.283 8.11 8 28.1 15.3
64 6 2 1 25.833 51.667 0.283 8.1 8 13.3 3.4
65 1 4 1 25.992 51.985 0.284 7.99 8 47.0 42.1
66 3 3 2 26.084 52.167 0.285 7.93 8 8.5 1.4
67 7 0 1 26.133 52.266 0.286 7.89 4 53.4 26.8
68 6 0 2 26.163 52.326 0.286 7.87 4 45.5 19.4
69 5 2 2 26.39 52.78 0.289 7.72 8 28.1 14.6
70 2 2 3 26.613 53.226 0.291 7.57 8 201.7 734.9
71 4 0 3 26.648 53.295 0.291 7.55 4 194.1 339.2
72 2 4 1 26.777 53.554 0.292 7.47 8 35.9 22.9
73 5 3 1 26.838 53.675 0.293 7.43 8 13.4 3.2
74 7 1 1 26.906 53.813 0.294 7.38 8 37.8 25.2
75 6 1 2 26.935 53.871 0.294 7.37 8 10.4 1.9
76 4 1 3 27.411 54.822 0.299 7.08 8 56.0 52.9
77 4 3 2 27.887 55.773 0.304 6.81 8 33.1 17.7
78 3 2 3 27.892 55.784 0.304 6.8 8 3.4 0.2
79 3 4 1 28.051 56.102 0.305 6.72 8 15.8 4.0
80 6 3 0 28.516 57.032 0.31 6.47 4 44.3 15.1
81 4 4 0 28.706 57.412 0.312 6.38 4 109.5 91.2
82 8 0 0 28.838 57.675 0.313 6.31 2 85.8 27.7
83 5 0 3 28.921 57.842 0.314 6.27 4 25.6 4.9
84 0 4 2 29.071 58.142 0.315 6.2 4 99.7 73.4
85 7 2 1 29.142 58.283 0.316 6.16 8 40.1 23.7
86 6 2 2 29.169 58.338 0.316 6.15 8 99.4 144.9
87 1 4 2 29.316 58.631 0.318 6.08 8 43.6 27.6
88 0 3 3 29.337 58.674 0.318 6.07 4 77.9 43.9
89 7 0 2 29.446 58.891 0.319 6.02 4 54.2 21.1
90 8 1 0 29.563 59.126 0.32 5.97 4 82.0 47.9
91 1 3 3 29.58 59.16 0.32 5.96 8 9.5 1.3
92 6 3 1 29.588 59.177 0.321 5.96 8 45.7 29.6
93 4 2 3 29.621 59.241 0.321 5.94 8 53.2 40.0
94 5 1 3 29.645 59.29 0.321 5.93 8 6.4 0.6
95 4 4 1 29.774 59.548 0.322 5.87 8 102.4 146.8
96 8 0 1 29.903 59.805 0.324 5.82 4 87.7 53.3
97 2 4 2 30.042 60.084 0.325 5.76 8 14.8 3.0
98 5 3 2 30.098 60.196 0.326 5.73 8 75.9 78.7
99 7 1 2 30.162 60.324 0.326 5.7 8 57.2 44.6
100 0 0 4 30.278 60.556 0.327 5.66 2 116.0 45.4
101 2 3 3 30.303 60.605 0.328 5.65 8 16.5 3.7
102 1 0 4 30.516 61.033 0.33 5.56 4 17.5 2.0
103 8 1 1 30.612 61.225 0.331 5.52 8 33.8 15.1
104 1 1 4 31.218 62.436 0.336 5.28 8 25.3 8.1
105 2 0 4 31.226 62.451 0.337 5.28 4 17.5 1.9
106 3 4 2 31.229 62.459 0.337 5.28 8 73.8 68.6
107 3 3 3 31.484 62.969 0.339 5.19 8 32.7 13.2
108 6 0 3 31.555 63.109 0.34 5.16 4 5.5 0.2
109 8 2 0 31.678 63.356 0.341 5.12 4 24.7 3.7
110 5 2 3 31.757 63.513 0.342 5.09 8 9.8 1.2
111 5 4 1 31.904 63.807 0.343 5.04 8 53.4 34.2
112 2 1 4 31.918 63.837 0.343 5.03 8 35.1 14.8
113 2 5 0 32.211 64.423 0.346 4.94 4 82.1 39.7
114 6 1 3 32.243 64.486 0.346 4.92 8 66.9 52.5
115 7 2 2 32.254 64.508 0.346 4.92 8 55.5 36.1
116 0 5 1 32.297 64.594 0.347 4.91 4 53.8 16.9
117 3 0 4 32.388 64.777 0.348 4.88 4 37.8 8.3
118 1 5 1 32.527 65.054 0.349 4.83 8 22.5 5.8
119 7 3 1 32.649 65.299 0.35 4.79 8 34.2 13.4
120 6 3 2 32.675 65.351 0.35 4.78 8 9.1 0.9
121 8 2 1 32.688 65.375 0.351 4.78 8 45.3 23.4
122 4 4 2 32.851 65.701 0.352 4.73 8 55.1 34.3
123 8 0 2 32.973 65.945 0.353 4.69 4 73.8 30.5
124 0 2 4 33.045 66.089 0.354 4.67 4 44.7 11.1
125 3 1 4 33.068 66.135 0.354 4.66 8 4.4 0.2
126 4 3 3 33.099 66.198 0.354 4.65 8 58.2 37.6
127 2 5 1 33.212 66.425 0.356 4.62 8 12.5 1.7
128 1 2 4 33.272 66.544 0.356 4.6 8 24.4 6.5
129 6 4 0 33.423 66.846 0.358 4.56 4 63.4 21.8
130 8 1 2 33.646 67.291 0.36 4.5 8 19.0 3.9
131 9 0 1 33.853 67.707 0.362 4.44 4 15.2 1.2
132 2 2 4 33.95 67.9 0.363 4.41 8 42.7 19.2
133 4 0 4 33.98 67.96 0.363 4.4 4 30.9 5.0
134 6 2 3 34.265 68.53 0.365 4.33 8 9.8 1.0
135 3 5 1 34.339 68.678 0.366 4.31 8 54.9 31.0
136 1 4 3 34.399 68.798 0.367 4.29 8 10.3 1.1
137 6 4 1 34.406 68.812 0.367 4.29 8 16.0 2.6
138 9 1 1 34.518 69.036 0.368 4.26 8 49.6 25.0
139 7 0 3 34.518 69.036 0.368 4.26 4 24.5 3.0
140 4 1 4 34.643 69.287 0.369 4.23 8 40.9 16.9
141 5 4 2 34.877 69.753 0.371 4.17 8 20.3 4.1
142 4 5 0 34.925 69.849 0.372 4.16 4 33.0 5.4
143 8 3 0 35.043 70.086 0.373 4.13 4 87.3 37.5
144 3 2 4 35.065 70.13 0.373 4.13 8 35.9 12.7
145 2 4 3 35.066 70.132 0.373 4.13 8 53.4 28.1
146 5 3 3 35.118 70.236 0.373 4.12 8 5.4 0.3
147 7 1 3 35.177 70.354 0.374 4.1 8 13.0 1.7
148 1 5 2 35.474 70.947 0.377 4.03 8 62.6 37.7
149 7 3 2 35.591 71.183 0.378 4.01 8 52.4 26.2
150 8 2 2 35.628 71.256 0.378 4.0 8 4.2 0.2
151 4 5 1 35.889 71.777 0.381 3.94 8 17.3 2.8
152 5 0 4 35.976 71.951 0.381 3.92 4 17.7 1.5
153 8 3 1 36.006 72.011 0.382 3.92 8 24.7 5.7
154 2 5 2 36.132 72.264 0.383 3.89 8 12.8 1.5
155 3 4 3 36.166 72.332 0.383 3.88 8 7.0 0.5
156 9 2 1 36.479 72.958 0.386 3.82 8 27.1 6.7
157 1 3 4 36.565 73.13 0.387 3.8 8 22.8 4.7
158 4 2 4 36.601 73.203 0.387 3.8 8 31.2 8.8
159 5 1 4 36.623 73.246 0.387 3.79 8 27.1 6.7
160 9 0 2 36.75 73.5 0.388 3.77 4 63.9 18.3
161 10 0 0 37.079 74.157 0.391 3.71 2 38.3 3.2
162 7 2 3 37.123 74.246 0.392 3.7 8 9.8 0.8
163 2 3 4 37.216 74.431 0.393 3.68 8 44.2 17.2
164 3 5 2 37.219 74.438 0.393 3.68 8 7.9 0.5
165 7 4 1 37.26 74.519 0.393 3.67 8 43.7 16.7
166 6 4 2 37.284 74.568 0.393 3.67 8 35.9 11.3
167 9 1 2 37.392 74.784 0.394 3.65 8 21.5 4.0
168 6 3 3 37.519 75.038 0.395 3.63 8 46.8 18.9
169 4 4 3 37.684 75.368 0.397 3.6 8 161.8 224.7
170 10 1 0 37.719 75.438 0.397 3.59 4 34.8 5.2
171 8 0 3 37.799 75.598 0.398 3.58 4 167.0 119.0
172 5 5 1 37.842 75.683 0.398 3.57 8 10.4 0.9
173 10 0 1 38.021 76.042 0.4 3.54 4 21.4 1.9
174 3 3 4 38.291 76.583 0.402 3.5 8 4.9 0.2
175 6 0 4 38.356 76.711 0.403 3.49 4 45.0 8.4
176 8 1 3 38.435 76.87 0.404 3.47 8 10.9 1.0
177 0 6 0 38.541 77.081 0.404 3.46 2 65.9 9.0
178 5 2 4 38.541 77.082 0.404 3.46 8 9.3 0.7
179 10 1 1 38.656 77.311 0.405 3.44 8 8.1 0.5
180 4 5 2 38.722 77.444 0.406 3.43 8 50.7 21.0
181 8 3 2 38.836 77.672 0.407 3.41 8 4.7 0.2
182 6 1 4 38.989 77.978 0.408 3.39 8 14.7 1.8
183 6 5 0 39.258 78.516 0.411 3.35 4 38.4 5.9
184 1 0 5 39.281 78.561 0.411 3.35 4 66.3 17.6
185 9 2 2 39.297 78.595 0.411 3.35 8 61.5 30.2
186 2 6 0 39.393 78.785 0.412 3.33 4 83.9 28.0
187 8 4 0 39.534 79.068 0.413 3.32 4 73.3 21.3
188 5 4 3 39.606 79.212 0.414 3.31 8 22.0 3.8
189 10 2 0 39.619 79.238 0.414 3.3 4 100.0 39.4
190 9 3 1 39.662 79.325 0.414 3.3 8 45.0 16.0
191 1 6 1 39.683 79.367 0.414 3.3 8 45.3 16.1
192 0 1 5 39.698 79.396 0.415 3.29 4 52.9 11.0
193 4 3 4 39.782 79.563 0.415 3.28 8 26.3 5.4
194 1 1 5 39.91 79.819 0.416 3.27 8 50.0 19.5
195 2 0 5 39.917 79.833 0.417 3.27 4 47.3 8.7
196 0 5 3 39.966 79.931 0.417 3.26 4 37.4 5.4
197 7 4 2 40.06 80.12 0.418 3.25 8 45.2 15.8
198 1 5 3 40.177 80.354 0.419 3.23 8 7.3 0.4
199 6 5 1 40.184 80.368 0.419 3.23 8 11.2 1.0
200 7 3 3 40.29 80.58 0.42 3.22 8 11.8 1.1
201 2 6 1 40.318 80.636 0.42 3.22 8 84.6 54.9
202 8 2 3 40.325 80.65 0.42 3.21 8 43.3 14.4
203 8 4 1 40.459 80.917 0.421 3.2 8 77.1 45.4
204 10 2 1 40.543 81.086 0.422 3.19 8 91.1 63.1
205 2 1 5 40.543 81.086 0.422 3.19 8 26.1 5.2
206 5 5 2 40.63 81.26 0.423 3.18 8 63.2 30.3
207 0 4 4 40.788 81.576 0.424 3.16 4 101.6 38.9
208 10 0 2 40.806 81.611 0.424 3.16 4 45.2 7.7
209 2 5 3 40.81 81.62 0.424 3.16 8 26.1 5.1
210 6 2 4 40.872 81.744 0.425 3.15 8 98.9 73.5
211 3 0 5 40.971 81.943 0.426 3.14 4 1.9 0.0
212 1 4 4 40.998 81.997 0.426 3.14 8 13.8 1.4
213 7 0 4 41.111 82.221 0.427 3.13 4 24.3 2.2
214 3 6 1 41.37 82.741 0.429 3.1 8 0.9 0.0
215 9 0 3 41.406 82.811 0.429 3.1 4 11.2 0.5
216 10 1 2 41.429 82.858 0.43 3.09 8 34.4 8.7
217 3 1 5 41.594 83.189 0.431 3.08 8 79.1 46.0
218 2 4 4 41.628 83.257 0.431 3.07 8 14.1 1.5
219 5 3 4 41.677 83.355 0.432 3.07 8 23.5 4.1
220 7 1 4 41.733 83.467 0.432 3.06 8 14.9 1.6
221 1 2 5 41.783 83.566 0.433 3.06 8 59.5 25.8
222 3 5 3 41.86 83.72 0.433 3.05 8 28.5 5.9
223 4 6 0 41.922 83.843 0.434 3.05 4 33.9 4.2
224 6 4 3 41.923 83.845 0.434 3.05 8 4.1 0.1
225 9 1 3 42.028 84.055 0.435 3.04 8 24.7 4.4
226 0 6 2 42.232 84.464 0.436 3.02 4 30.3 3.3
227 2 2 5 42.411 84.822 0.438 3.0 8 68.1 33.2
228 9 3 2 42.421 84.841 0.438 3.0 8 20.2 2.9
229 4 0 5 42.439 84.878 0.438 3.0 4 75.4 20.3
230 1 6 2 42.441 84.883 0.438 3.0 8 31.6 7.2
231 11 0 1 42.46 84.92 0.438 3.0 4 35.4 4.5
232 3 4 4 42.675 85.35 0.44 2.98 8 30.2 6.5
233 10 3 0 42.738 85.475 0.441 2.97 4 20.5 1.5
234 4 6 1 42.836 85.672 0.441 2.97 8 19.0 2.5
235 7 5 1 42.912 85.825 0.442 2.96 8 27.9 5.5
236 6 5 2 42.936 85.872 0.442 2.96 8 9.6 0.7
237 4 1 5 43.059 86.118 0.443 2.95 8 20.3 2.9
238 2 6 2 43.068 86.136 0.443 2.95 8 59.6 25.0
239 11 1 1 43.08 86.159 0.443 2.95 8 2.5 0.0
240 8 4 2 43.207 86.415 0.444 2.94 8 65.3 29.9
241 10 2 2 43.291 86.582 0.445 2.93 8 36.6 9.4
242 4 5 3 43.323 86.646 0.445 2.93 8 35.9 9.0
243 8 3 3 43.434 86.869 0.446 2.92 8 4.8 0.2
244 3 2 5 43.455 86.911 0.446 2.92 8 17.7 2.2
245 7 2 4 43.593 87.187 0.448 2.91 8 16.1 1.8
246 10 3 1 43.65 87.3 0.448 2.91 8 1.3 0.0
247 9 2 3 43.886 87.772 0.45 2.89 8 14.1 1.4
248 6 3 4 43.976 87.951 0.451 2.89 8 13.7 1.3
249 9 4 1 44.018 88.036 0.451 2.88 8 12.5 1.1
250 3 6 2 44.111 88.222 0.452 2.88 8 59.7 24.5
251 4 4 4 44.135 88.271 0.452 2.88 8 28.9 5.7
252 8 0 4 44.247 88.493 0.453 2.87 4 49.7 8.4
253 5 0 5 44.317 88.634 0.453 2.87 4 69.1 16.3
254 7 4 3 44.636 89.272 0.456 2.85 8 21.4 3.1
255 0 3 5 44.671 89.342 0.456 2.85 4 36.3 4.5
256 5 6 1 44.712 89.425 0.457 2.84 8 34.0 7.9
257 8 1 4 44.865 89.729 0.458 2.84 8 27.7 5.2
258 1 3 5 44.879 89.758 0.458 2.83 8 47.5 15.3
259 4 2 5 44.914 89.828 0.458 2.83 8 35.0 8.3
260 11 2 1 44.935 89.87 0.458 2.83 8 42.0 11.9
261 5 1 5 44.935 89.87 0.458 2.83 8 32.6 7.2
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 2 0 0 6.926 13.851 6.388 211.3 19.4 19.7 5.6
2 1 0 1 8.032 16.064 5.51282 454.4 41.7 42.2 5.6
3 2 1 0 9.157 18.313 4.84043 992.4 91.2 92.1 5.6
4 0 1 1 9.399 18.799 4.71652 297.7 27.4 27.6 5.6
5 2 0 1 10.046 20.092 4.41581 344.0 31.6 31.9 5.6
6 2 1 1 11.713 23.426 3.79434 94.4 8.7 8.7 5.6
7 0 2 0 11.987 23.974 3.7088 264.2 24.3 24.4 5.6
8 3 0 1 12.736 25.472 3.49394 19.3 1.8 1.8 5.6
9 2 2 0 13.896 27.792 3.20741 729.6 67.0 67.2 5.6
10 4 0 0 13.955 27.911 3.194 434.0 39.9 40.0 5.6
11 3 1 1 14.105 28.209 3.16084 442.6 40.7 40.8 5.6
12 1 2 1 14.496 28.992 3.07723 341.5 31.4 31.4 5.6
13 0 0 2 14.602 29.203 3.0555 369.0 33.9 34.0 5.6
14 1 0 2 15.023 30.046 2.9717 104.7 9.6 9.6 5.6
15 4 1 0 15.223 30.445 2.93359 125.2 11.5 11.5 5.6
16 2 2 1 15.737 31.474 2.84 1088.5 100.0 100.0 5.6
17 4 0 1 15.79 31.581 2.83068 601.3 55.2 55.2 5.6
18 1 1 2 16.214 32.429 2.75855 440.7 40.5 40.5 5.6
19 2 1 2 17.345 34.69 2.58378 57.7 5.3 5.3 5.7
20 3 0 2 18.076 36.151 2.48261 190.4 17.5 17.4 5.7
21 4 2 0 18.558 37.117 2.42021 49.5 4.5 4.5 5.7
22 5 0 1 19.071 38.143 2.35742 136.5 12.5 12.5 5.7
23 1 2 2 19.399 38.798 2.31908 82.5 7.6 7.5 5.7
24 2 3 0 19.515 39.03 2.30584 90.2 8.3 8.2 5.7
25 0 3 1 19.638 39.275 2.29203 15.9 1.5 1.5 5.7
26 1 3 1 19.964 39.929 2.25602 26.7 2.5 2.4 5.7
27 4 2 1 20.018 40.037 2.25017 35.2 3.2 3.2 5.7
28 2 2 2 20.376 40.752 2.21232 244.3 22.4 22.2 5.7
29 4 0 2 20.418 40.837 2.2079 82.6 7.6 7.5 5.7
30 2 3 1 20.919 41.838 2.15737 35.5 3.3 3.2 5.7
31 6 0 0 21.208 42.415 2.12933 44.9 4.1 4.1 5.7
32 4 1 2 21.346 42.692 2.11615 83.1 7.6 7.6 5.7
33 3 2 2 21.923 43.847 2.06307 214.1 19.7 19.4 5.7
34 6 1 0 22.108 44.216 2.04667 35.2 3.2 3.2 5.7
35 3 3 1 22.436 44.872 2.01829 122.9 11.3 11.1 5.7
36 5 2 1 22.778 45.557 1.98953 67.2 6.2 6.1 5.7
37 0 1 3 23.088 46.176 1.96428 60.3 5.5 5.5 5.7
38 4 3 0 23.202 46.404 1.95516 62.2 5.7 5.6 5.7
39 2 0 3 23.385 46.77 1.94072 80.3 7.4 7.3 5.7
40 1 3 2 23.908 47.816 1.90067 134.4 12.4 12.2 5.7
41 5 1 2 23.983 47.966 1.89508 193.7 17.8 17.5 5.7
42 2 1 3 24.221 48.443 1.87752 16.0 1.5 1.4 5.7
43 0 4 0 24.543 49.086 1.8544 369.1 33.9 33.3 5.7
44 6 2 0 24.653 49.307 1.84663 690.2 63.4 62.3 5.7
45 2 3 2 24.74 49.48 1.84055 44.8 4.1 4.0 5.7
46 3 1 3 25.585 51.17 1.78369 25.9 2.4 2.3 5.8
47 2 4 0 25.628 51.256 1.78088 14.2 1.3 1.3 5.8
48 1 2 3 25.825 51.649 1.76825 18.7 1.7 1.7 5.8
49 1 4 1 25.992 51.985 1.75763 42.1 3.9 3.8 5.8
50 7 0 1 26.133 52.266 1.74881 26.8 2.5 2.4 5.8
51 6 0 2 26.163 52.326 1.74697 19.4 1.8 1.7 5.8
52 5 2 2 26.39 52.78 1.73299 14.6 1.3 1.3 5.8
53 2 2 3 26.613 53.226 1.71953 734.9 67.5 66.0 5.8
54 4 0 3 26.648 53.295 1.71745 339.2 31.2 30.5 5.8
55 2 4 1 26.777 53.554 1.70976 22.9 2.1 2.1 5.8
56 7 1 1 26.906 53.813 1.70214 25.2 2.3 2.3 5.8
57 4 1 3 27.411 54.822 1.67319 52.9 4.9 4.7 5.8
58 4 3 2 27.887 55.773 1.64686 17.9 1.6 1.6 5.8
59 6 3 0 28.516 57.032 1.61348 15.1 1.4 1.4 5.8
60 4 4 0 28.706 57.412 1.6037 91.2 8.4 8.1 5.8
61 8 0 0 28.838 57.675 1.597 27.7 2.5 2.5 5.8
62 0 4 2 29.071 58.142 1.58528 73.4 6.7 6.5 5.8
63 6 2 2 29.169 58.338 1.58042 168.5 15.5 15.0 5.8
64 0 3 3 29.337 58.674 1.57217 71.5 6.6 6.4 5.8
65 7 0 2 29.446 58.891 1.56689 21.1 1.9 1.9 5.8
66 8 1 0 29.563 59.126 1.56123 78.8 7.2 7.0 5.8
67 4 2 3 29.621 59.241 1.55846 40.6 3.7 3.6 5.8
68 4 4 1 29.774 59.548 1.55118 146.8 13.5 13.1 5.8
69 8 0 1 29.903 59.805 1.54511 53.3 4.9 4.7 5.8
70 5 3 2 30.098 60.196 1.53601 78.7 7.2 7.0 5.8
71 7 1 2 30.162 60.324 1.53306 44.6 4.1 4.0 5.8
72 0 0 4 30.278 60.556 1.52775 49.0 4.5 4.4 5.8
73 8 1 1 30.612 61.225 1.51264 15.1 1.4 1.3 5.8
74 3 4 2 31.229 62.459 1.48569 78.6 7.2 7.0 5.8
75 3 3 3 31.484 62.969 1.47488 13.2 1.2 1.2 5.9
76 5 4 1 31.904 63.807 1.45751 49.0 4.5 4.3 5.9
77 2 5 0 32.211 64.423 1.44506 39.7 3.6 3.5 5.9
78 6 1 3 32.243 64.486 1.44378 88.6 8.1 7.8 5.9
79 0 5 1 32.297 64.594 1.44165 16.9 1.6 1.5 5.9
80 7 3 1 32.649 65.299 1.42777 14.3 1.3 1.3 5.9
81 8 2 1 32.688 65.375 1.42629 23.4 2.1 2.1 5.9
82 4 4 2 32.851 65.701 1.42 34.3 3.1 3.0 5.9
83 8 0 2 32.973 65.945 1.41534 30.5 2.8 2.7 5.9
84 0 2 4 33.045 66.089 1.4126 11.3 1.0 1.0 5.9
85 4 3 3 33.099 66.198 1.41055 37.6 3.5 3.3 5.9
86 6 4 0 33.423 66.846 1.39843 21.8 2.0 1.9 5.9
87 2 2 4 33.95 67.9 1.37928 19.2 1.8 1.7 5.9
88 3 5 1 34.339 68.678 1.36553 31.0 2.8 2.7 5.9
89 9 1 1 34.518 69.036 1.35932 28.0 2.6 2.5 5.9
90 4 1 4 34.643 69.287 1.35501 16.9 1.6 1.5 5.9
91 8 3 0 35.043 70.086 1.3415 78.3 7.2 6.9 5.9
92 1 5 2 35.474 70.947 1.32732 37.7 3.5 3.3 5.9
93 7 3 2 35.591 71.183 1.32351 26.2 2.4 2.3 5.9
94 4 2 4 36.601 73.203 1.29189 15.5 1.4 1.3 6.0
95 9 0 2 36.75 73.5 1.2874 18.3 1.7 1.6 6.0
96 2 3 4 37.216 74.431 1.27357 17.7 1.6 1.5 6.0
97 7 4 1 37.26 74.519 1.27229 28.0 2.6 2.4 6.0
98 6 3 3 37.519 75.038 1.26478 18.9 1.7 1.6 6.0
99 4 4 3 37.684 75.368 1.26006 224.7 20.6 19.5 6.0
100 8 0 3 37.799 75.598 1.2568 119.0 10.9 10.3 6.0
101 4 5 2 38.722 77.444 1.23137 21.0 1.9 1.8 6.0
102 9 2 2 39.297 78.595 1.21621 53.6 4.9 4.6 6.0
103 2 6 0 39.393 78.785 1.21375 28.0 2.6 2.4 6.0
104 8 4 0 39.534 79.068 1.21011 21.3 2.0 1.8 6.0
105 10 2 0 39.619 79.238 1.20794 43.2 4.0 3.7 6.0
106 1 6 1 39.683 79.367 1.20631 43.0 4.0 3.7 6.0
107 1 1 5 39.91 79.819 1.2006 28.2 2.6 2.4 6.0
108 7 4 2 40.06 80.12 1.19685 15.8 1.5 1.4 6.0
109 2 6 1 40.318 80.636 1.19049 70.3 6.5 6.0 6.1
110 8 4 1 40.459 80.917 1.18706 45.4 4.2 3.9 6.1
111 10 2 1 40.543 81.086 1.18501 68.3 6.3 5.8 6.1
112 5 5 2 40.63 81.26 1.18292 30.3 2.8 2.6 6.1
113 0 4 4 40.788 81.576 1.17913 51.7 4.8 4.4 6.1
114 6 2 4 40.872 81.744 1.17712 73.5 6.8 6.3 6.1
115 3 1 5 41.594 83.189 1.16032 46.0 4.2 3.9 6.1
116 1 2 5 41.783 83.566 1.15603 25.8 2.4 2.2 6.1
117 2 2 5 42.411 84.822 1.14209 63.6 5.8 5.4 6.1
118 2 6 2 43.068 86.136 1.12801 27.9 2.6 2.4 6.1
119 8 4 2 43.207 86.415 1.12508 29.9 2.7 2.5 6.1
120 3 6 2 44.111 88.222 1.10665 30.2 2.8 2.5 6.2
121 5 0 5 44.317 88.634 1.10256 16.3 1.5 1.4 6.2
122 1 3 5 44.879 89.758 1.09164 20.5 1.9 1.7 6.2
123 11 2 1 44.935 89.87 1.09058 27.3 2.5 2.3 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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