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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IMANDRITE
1
Na(12)Ca(3)Fe(2)[Si(6)O(18)](2)
Orthorhombic P mnn Z = 1
R =0.053 NR =823
4 .6 .1999
Ref.Str.:
Chernitsova N.M., Pudovkina Z.V., Voronkov A.A., Ilukhin V.V.
Pyatenko Yu.A. (1980)
* Dokl. Akad. Nauk SSSR, 548, 618-621
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.331 alpha = 90.0
b = 10.546 beta = 90.0
c = 7.426 gamma = 90.0
Unit cell volume (cub. angs.) = 809.07
Molar volume ( cub.cm/mol.) = 487.33
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 0.99 Fe = 1.00
2 0.5 0.2549 0.7563 0.96 Ca = 1.00
3 0.2723 0.992 0.7152 0.69 Si = 1.00
4 0.5 0.2184 0.2564 0.77 Si = 1.00
5 0.0 0.0 0.5 0.19 Na = 1.00
6 0.2407 0.2334 0.0207 1.61 Na = 1.00
7 0.5 0.0 0.0 3.97 Na = 1.00
8 0.0 0.199 0.935 2.04 O = 1.00
9 0.128 0.376 0.755 2.38 O = 1.00
10 0.5 0.29 0.073 1.5 O = 1.00
11 0.364 0.444 0.697 1.68 O = 1.00
12 0.329 0.121 0.787 1.94 O = 1.00
13 0.24 0.0 0.5 2.89 O = 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 0.5 0.2549 0.7563
3 3 0.2723 0.992 0.7152
4 4 0.5 0.2184 0.2564
5 5 0.0 0.0 0.5
6 6 0.2407 0.2334 0.0207
7 7 0.5 0.0 0.0
8 8 0.0 0.199 0.935
9 9 0.128 0.376 0.755
10 10 0.5 0.29 0.073
11 11 0.364 0.444 0.697
12 12 0.329 0.121 0.787
13 13 0.24 0.0 0.5
14 2 0.5 0.7451 0.2437
15 3 0.7277 0.008 0.2848
16 4 0.5 0.7816 0.7436
17 6 0.7593 0.7666 0.9793
18 8 0.0 0.801 0.065
19 9 0.872 0.624 0.245
20 10 0.5 0.71 0.927
21 11 0.636 0.556 0.303
22 12 0.671 0.879 0.213
23 13 0.76 0.0 0.5
24 1 0.5 0.5 0.5
25 2 0.0 0.2451 0.2563
26 3 0.7723 0.508 0.2152
27 4 0.0 0.2816 0.7564
28 5 0.5 0.5 0.0
29 6 0.7407 0.2666 0.5207
30 7 0.0 0.5 0.5
31 8 0.5 0.301 0.435
32 9 0.628 0.124 0.255
33 10 0.0 0.21 0.573
34 11 0.864 0.056 0.197
35 12 0.829 0.379 0.287
36 13 0.74 0.5 0.0
37 2 0.0 0.7549 0.7437
38 3 0.2277 0.492 0.7848
39 4 0.0 0.7184 0.2436
40 6 0.2593 0.7334 0.4793
41 8 0.5 0.699 0.565
42 9 0.372 0.876 0.745
43 10 0.0 0.79 0.427
44 11 0.136 0.944 0.803
45 12 0.171 0.621 0.713
46 13 0.26 0.5 0.0
47 3 0.7277 0.992 0.7152
48 6 0.7593 0.2334 0.0207
49 9 0.872 0.376 0.755
50 11 0.636 0.444 0.697
51 12 0.671 0.121 0.787
52 3 0.2723 0.008 0.2848
53 6 0.2407 0.7666 0.9793
54 9 0.128 0.624 0.245
55 11 0.364 0.556 0.303
56 12 0.329 0.879 0.213
57 3 0.2277 0.508 0.2152
58 6 0.2593 0.2666 0.5207
59 9 0.372 0.124 0.255
60 11 0.136 0.056 0.197
61 12 0.171 0.379 0.287
62 3 0.7723 0.492 0.7848
63 6 0.7407 0.7334 0.4793
64 9 0.628 0.876 0.745
65 11 0.864 0.944 0.803
66 12 0.829 0.621 0.713
X-ray density (g/cm cub.) = 3.0
MU (1/cm) = 196.404 Mass attenuation coefficient (cm**2/g) = 65.525
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.1534 8
2.1534 8
2.1126 11
2.1126 11
2.1126 11
2.1126 11
2 Ca 2.88 6
2.3808 10
2.4789 11
2.2731 12
2.435 8
2.4789 11
2.2731 12
3 Si 2.1 4
1.5742 12
1.6347 13
1.6144 9
1.6322 11
4 Si 2.1 4
1.5572 10
1.5868 8
1.6553 9
1.6553 9
5 Na 2.808 8
2.4794 13
2.4794 13
2.28 10
2.7177 11
2.28 10
2.7177 11
2.7177 11
2.7177 11
6 Na 2.808 7
2.5923 8
2.7405 9
2.7719 10
2.2911 12
2.4897 9
2.5267 11
2.6052 12
7 Na 2.808 8
2.6928 12
2.6928 12
2.6542 9
2.6542 9
2.6928 12
2.6928 12
2.6542 9
2.6542 9
8 O 3.264 7
2.6495 9
2.6907 10
2.8344 11
3.1886 11
2.6495 9
2.8344 11
3.1886 11
9 O 3.264 6
2.6495 8
2.5776 11
2.5768 10
2.6402 12
2.6229 13
2.6447 9
10 O 3.264 3
2.6907 8
2.5768 9
2.5768 9
11 O 3.264 7
2.5776 9
2.8344 8
3.1886 8
2.7339 12
2.5624 13
2.81 11
3.1553 11
12 O 3.264 3
2.6488 13
2.6402 9
2.7339 11
13 O 3.264 6
2.6488 12
2.6229 9
2.5624 11
2.6488 12
2.6229 9
2.5624 11
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 5.991 11.982 0.068 180.62 4 30.8 104.6
2 0 1 1 7.288 14.577 0.082 121.31 4 30.5 68.8
3 1 0 1 7.339 14.679 0.083 119.6 4 19.1 26.6
4 0 2 0 8.4 16.8 0.095 90.78 2 17.7 8.7
5 1 1 1 8.462 16.924 0.096 89.42 8 1.4 0.2
6 2 0 0 8.576 17.152 0.097 87.0 2 18.8 9.4
7 0 2 1 10.321 20.642 0.116 59.4 4 56.2 114.7
8 1 2 1 11.19 22.379 0.126 50.21 8 13.7 11.5
9 2 1 1 11.29 22.581 0.127 49.28 8 73.2 322.6
10 0 0 2 11.973 23.946 0.135 43.59 2 123.6 203.4
11 2 2 0 12.049 24.098 0.136 43.02 4 120.4 381.0
12 0 1 2 12.705 25.411 0.143 38.48 4 3.0 0.2
13 1 3 0 13.383 26.766 0.15 34.48 4 66.6 93.5
14 1 1 2 13.428 26.857 0.151 34.24 8 86.0 309.3
15 2 2 1 13.48 26.959 0.151 33.96 8 19.6 16.0
16 3 1 0 13.61 27.219 0.153 33.28 4 101.2 208.3
17 0 3 1 14.03 28.06 0.157 31.19 4 25.4 12.3
18 3 0 1 14.274 28.548 0.16 30.07 4 13.5 3.3
19 1 3 1 14.693 29.386 0.165 28.27 8 3.9 0.5
20 0 2 2 14.698 29.396 0.165 28.25 4 2.1 0.1
21 2 0 2 14.803 29.605 0.166 27.82 4 15.8 4.2
22 3 1 1 14.901 29.802 0.167 27.43 8 19.1 12.3
23 1 2 2 15.335 30.669 0.172 25.8 8 24.8 19.4
24 2 1 2 15.41 30.82 0.172 25.53 8 14.8 6.9
25 2 3 1 16.536 33.073 0.185 21.92 8 94.2 237.8
26 3 2 1 16.654 33.307 0.186 21.59 8 6.8 1.2
27 0 4 0 16.987 33.975 0.19 20.67 2 251.3 399.0
28 2 2 2 17.116 34.231 0.191 20.34 8 252.1 1580.0
29 4 0 0 17.352 34.704 0.194 19.74 2 256.4 396.5
30 0 3 2 17.563 35.125 0.196 19.23 4 10.5 1.3
31 0 4 1 18.061 36.122 0.201 18.08 4 29.6 9.7
32 1 3 2 18.109 36.218 0.202 17.98 8 30.3 20.2
33 3 3 0 18.248 36.495 0.203 17.68 4 11.2 1.4
34 3 1 2 18.282 36.564 0.204 17.61 8 3.6 0.3
35 1 4 1 18.594 37.189 0.207 16.96 8 8.7 1.6
36 0 1 3 18.641 37.282 0.207 16.87 4 19.5 3.9
37 1 0 3 18.662 37.325 0.208 16.83 4 7.3 0.5
38 4 1 1 18.911 37.822 0.21 16.34 8 6.4 0.8
39 2 4 0 19.148 38.297 0.213 15.9 4 39.5 15.2
40 1 1 3 19.161 38.322 0.213 15.88 8 49.3 47.2
41 3 3 1 19.26 38.52 0.214 15.7 8 42.7 35.0
42 4 2 0 19.396 38.792 0.216 15.45 4 64.6 39.4
43 2 3 2 19.669 39.338 0.218 14.98 8 27.0 13.4
44 3 2 2 19.77 39.54 0.22 14.81 8 34.2 21.1
45 0 2 3 20.106 40.213 0.223 14.27 4 60.1 31.5
46 2 4 1 20.122 40.245 0.223 14.24 8 31.8 17.6
47 4 2 1 20.36 40.72 0.226 13.87 8 28.4 13.7
48 1 2 3 20.595 41.19 0.228 13.52 8 24.9 10.3
49 2 1 3 20.653 41.307 0.229 13.44 8 16.4 4.4
50 0 4 2 20.997 41.994 0.233 12.95 4 64.8 33.2
51 4 0 2 21.303 42.606 0.236 12.54 4 91.4 64.0
52 1 4 2 21.469 42.938 0.238 12.32 8 14.6 3.2
53 4 1 2 21.751 43.501 0.241 11.97 8 6.5 0.6
54 1 5 0 21.884 43.769 0.242 11.8 4 69.1 34.5
55 2 2 3 22.007 44.013 0.243 11.65 8 46.0 30.1
56 3 3 2 22.062 44.124 0.244 11.59 8 27.6 10.8
57 0 5 1 22.312 44.623 0.246 11.3 4 17.7 2.2
58 5 1 0 22.327 44.653 0.247 11.28 4 12.3 1.0
59 0 3 3 22.37 44.74 0.247 11.23 4 31.7 6.9
60 3 4 1 22.476 44.952 0.248 11.11 8 20.7 5.8
61 3 0 3 22.534 45.068 0.249 11.05 4 25.6 4.4
62 4 3 1 22.603 45.206 0.249 10.97 8 21.0 5.9
63 1 5 1 22.762 45.523 0.251 10.8 8 53.7 38.1
64 5 0 1 22.766 45.531 0.251 10.8 4 14.7 1.4
65 1 3 3 22.819 45.638 0.252 10.74 8 39.1 20.0
66 2 4 2 22.837 45.674 0.252 10.72 8 27.8 10.2
67 3 1 3 22.963 45.925 0.253 10.59 8 46.3 27.8
68 4 2 2 23.052 46.104 0.254 10.5 8 54.3 37.8
69 5 1 1 23.191 46.382 0.256 10.35 8 25.7 8.4
70 2 5 1 24.072 48.144 0.265 9.51 8 32.7 12.4
71 2 3 3 24.127 48.254 0.265 9.47 8 8.2 0.8
72 3 2 3 24.213 48.426 0.266 9.39 8 46.2 24.5
73 5 2 1 24.432 48.864 0.268 9.2 8 6.8 0.5
74 0 0 4 24.514 49.027 0.269 9.13 2 293.5 240.3
75 4 4 0 24.677 49.353 0.271 8.99 4 295.9 481.0
76 0 5 2 24.835 49.67 0.273 8.86 4 33.1 5.9
77 0 1 4 24.916 49.832 0.273 8.8 4 50.9 13.9
78 3 4 2 24.987 49.973 0.274 8.74 8 20.4 4.4
79 4 3 2 25.104 50.208 0.275 8.65 8 23.7 5.9
80 1 5 2 25.251 50.501 0.277 8.53 8 62.3 40.5
81 0 4 3 25.267 50.534 0.277 8.52 4 22.4 2.6
82 1 1 4 25.33 50.661 0.278 8.47 8 6.6 0.5
83 3 5 0 25.357 50.714 0.278 8.45 4 27.6 3.9
84 4 4 1 25.48 50.959 0.279 8.36 8 36.7 13.7
85 5 3 0 25.622 51.243 0.281 8.26 4 24.7 3.1
86 5 1 2 25.648 51.296 0.281 8.24 8 97.2 95.2
87 1 4 3 25.677 51.355 0.281 8.21 8 6.3 0.4
88 4 1 3 25.923 51.847 0.284 8.04 8 80.0 62.9
89 0 6 0 25.992 51.983 0.284 7.99 2 15.3 0.6
90 0 2 4 26.096 52.192 0.286 7.92 4 2.8 0.0
91 3 5 1 26.145 52.289 0.286 7.88 8 10.8 1.1
92 2 0 4 26.161 52.322 0.286 7.87 4 17.7 1.5
93 3 3 3 26.197 52.393 0.287 7.85 8 51.3 25.2
94 5 3 1 26.404 52.808 0.289 7.71 8 2.8 0.1
95 2 5 2 26.468 52.936 0.289 7.67 8 12.4 1.4
96 1 2 4 26.497 52.994 0.29 7.65 8 29.4 8.1
97 2 1 4 26.545 53.09 0.29 7.62 8 21.8 4.4
98 6 0 0 26.574 53.149 0.29 7.6 2 101.9 24.1
99 0 6 1 26.766 53.532 0.292 7.47 4 72.6 24.1
100 5 2 2 26.805 53.609 0.293 7.45 8 4.6 0.2
101 2 4 3 26.881 53.762 0.293 7.4 8 71.7 46.5
102 4 2 3 27.072 54.143 0.295 7.28 8 2.3 0.0
103 1 6 1 27.16 54.32 0.296 7.23 8 7.6 0.5
104 2 6 0 27.575 55.151 0.3 6.98 4 27.1 3.1
105 2 2 4 27.676 55.351 0.301 6.93 8 28.3 6.8
106 6 1 1 27.71 55.421 0.302 6.91 8 49.2 20.5
107 4 4 2 27.788 55.576 0.303 6.86 8 33.3 9.3
108 0 3 4 27.983 55.967 0.305 6.75 4 33.4 4.6
109 6 2 0 28.074 56.147 0.305 6.71 4 44.0 7.9
110 2 6 1 28.32 56.64 0.308 6.57 8 11.5 1.1
111 1 3 4 28.366 56.732 0.308 6.55 8 62.5 31.2
112 3 5 2 28.415 56.831 0.309 6.52 8 69.3 38.2
113 3 1 4 28.489 56.978 0.31 6.49 8 59.4 28.0
114 5 3 2 28.66 57.321 0.311 6.4 8 47.5 17.7
115 0 5 3 28.672 57.344 0.311 6.39 4 92.0 33.1
116 3 4 3 28.809 57.619 0.313 6.32 8 36.0 10.0
117 6 2 1 28.81 57.619 0.313 6.32 8 12.4 1.2
118 4 5 1 28.867 57.734 0.313 6.3 8 25.1 4.9
119 4 3 3 28.916 57.832 0.314 6.27 8 34.5 9.1
120 0 6 2 29.003 58.007 0.315 6.23 4 42.9 7.0
121 5 4 1 29.004 58.008 0.315 6.23 8 21.6 3.6
122 1 5 3 29.049 58.098 0.315 6.21 8 41.6 13.1
123 5 0 3 29.052 58.105 0.315 6.21 4 13.7 0.7
124 1 6 2 29.378 58.755 0.318 6.05 8 7.8 0.4
125 5 1 3 29.411 58.822 0.319 6.04 8 46.8 16.2
126 2 3 4 29.495 58.989 0.32 6.0 8 3.7 0.1
127 6 0 2 29.546 59.092 0.32 5.97 4 54.8 11.0
128 3 2 4 29.57 59.139 0.32 5.96 8 34.7 8.8
129 6 1 2 29.901 59.802 0.324 5.82 8 19.7 2.8
130 2 5 3 30.161 60.323 0.326 5.7 8 23.3 3.8
131 3 6 1 30.188 60.376 0.326 5.69 8 16.8 2.0
132 5 2 3 30.471 60.942 0.329 5.58 8 28.9 5.7
133 2 6 2 30.483 60.965 0.329 5.57 8 172.6 202.8
134 0 4 4 30.494 60.989 0.329 5.57 4 154.7 81.4
135 6 3 1 30.586 61.171 0.33 5.53 8 51.3 17.8
136 4 0 4 30.729 61.458 0.332 5.47 4 159.8 85.4
137 1 4 4 30.857 61.714 0.333 5.42 8 14.7 1.4
138 6 2 2 30.951 61.902 0.334 5.39 8 159.9 168.4
139 4 5 2 31.006 62.012 0.334 5.37 8 15.1 1.5
140 4 1 4 31.076 62.151 0.335 5.34 8 35.1 8.0
141 1 7 0 31.11 62.221 0.335 5.33 4 8.9 0.3
142 5 4 2 31.137 62.274 0.336 5.32 8 5.2 0.2
143 3 3 4 31.319 62.638 0.337 5.25 8 38.4 9.4
144 4 4 3 31.38 62.76 0.338 5.23 8 44.5 12.6
145 0 7 1 31.446 62.892 0.339 5.2 4 29.1 2.7
146 5 5 0 31.458 62.916 0.339 5.2 4 10.1 0.3
147 0 1 5 31.584 63.169 0.34 5.15 4 3.9 0.0
148 1 0 5 31.599 63.198 0.34 5.15 4 22.6 1.6
149 1 7 1 31.803 63.606 0.342 5.07 8 28.8 5.1
150 7 1 0 31.803 63.607 0.342 5.07 4 78.7 19.2
151 2 4 4 31.932 63.863 0.343 5.03 8 32.3 6.4
152 1 1 5 31.94 63.881 0.343 5.03 8 14.3 1.3
153 3 5 3 31.963 63.927 0.344 5.02 8 22.7 3.2
154 4 6 0 32.012 64.024 0.344 5.0 4 37.6 4.3
155 4 2 4 32.103 64.207 0.345 4.97 8 14.1 1.2
156 5 5 1 32.146 64.292 0.345 4.96 8 13.3 1.1
157 7 0 1 32.149 64.299 0.345 4.96 4 12.5 0.5
158 5 3 3 32.192 64.384 0.346 4.94 8 16.6 1.7
159 3 6 2 32.274 64.548 0.347 4.91 8 0.1 0.0
160 6 4 0 32.297 64.594 0.347 4.91 4 7.8 0.2
161 7 1 1 32.488 64.975 0.349 4.84 8 2.0 0.0
162 0 6 3 32.513 65.025 0.349 4.84 4 66.5 13.1
163 0 2 5 32.603 65.206 0.35 4.81 4 21.7 1.4
164 6 3 2 32.657 65.315 0.35 4.79 8 12.2 0.9
165 4 6 1 32.694 65.388 0.351 4.78 8 36.6 7.8
166 2 7 1 32.86 65.72 0.352 4.73 8 71.6 29.6
167 1 6 3 32.863 65.726 0.352 4.73 8 1.6 0.0
168 1 2 5 32.953 65.906 0.353 4.7 8 20.2 2.3
169 6 4 1 32.976 65.952 0.353 4.69 8 15.9 1.4
170 2 1 5 32.995 65.991 0.353 4.69 8 64.3 23.7
171 6 1 3 33.355 66.709 0.357 4.58 8 13.7 1.1
172 0 7 2 33.488 66.976 0.358 4.54 4 1.6 0.0
173 7 2 1 33.492 66.983 0.358 4.54 8 21.1 2.5
174 0 5 4 33.555 67.11 0.359 4.52 4 7.0 0.1
175 3 4 4 33.681 67.361 0.36 4.49 8 27.9 4.3
176 4 3 4 33.778 67.556 0.361 4.46 8 13.5 1.0
177 1 7 2 33.833 67.667 0.361 4.44 8 26.2 3.7
178 1 5 4 33.9 67.8 0.362 4.43 8 18.6 1.9
179 2 6 3 33.903 67.806 0.362 4.43 8 39.7 8.5
180 3 7 0 33.922 67.845 0.362 4.42 4 90.7 22.2
181 2 2 5 33.992 67.983 0.363 4.4 8 0.0 0.0
182 5 5 2 34.166 68.332 0.365 4.35 8 99.4 52.6
183 5 1 4 34.232 68.465 0.365 4.34 8 5.1 0.1
184 0 3 5 34.265 68.531 0.365 4.33 4 46.5 5.7
185 6 2 3 34.346 68.691 0.366 4.31 8 13.5 1.0
186 3 0 5 34.39 68.779 0.367 4.3 4 19.6 1.0
187 4 5 3 34.398 68.796 0.367 4.29 8 55.1 15.9
188 7 3 0 34.475 68.951 0.367 4.27 4 97.8 25.0
189 7 1 2 34.497 68.995 0.368 4.27 8 11.0 0.6
190 5 4 3 34.522 69.044 0.368 4.26 8 16.3 1.4
191 3 7 1 34.585 69.17 0.368 4.25 8 31.2 5.1
192 1 3 5 34.607 69.214 0.369 4.24 8 12.1 0.8
193 4 6 2 34.698 69.395 0.37 4.22 8 19.0 1.9
194 3 1 5 34.717 69.433 0.37 4.21 8 5.4 0.2
195 2 7 2 34.859 69.718 0.371 4.18 8 10.3 0.5
196 2 5 4 34.925 69.85 0.372 4.16 8 6.7 0.2
197 6 4 2 34.972 69.943 0.372 4.15 8 3.7 0.1
198 7 3 1 35.133 70.266 0.374 4.11 8 11.2 0.6
199 5 2 4 35.212 70.424 0.374 4.09 8 6.7 0.2
200 7 2 2 35.473 70.947 0.377 4.03 8 9.4 0.4
201 3 6 3 35.603 71.207 0.378 4.01 8 17.5 1.5
202 2 3 5 35.622 71.245 0.378 4.0 8 90.7 40.2
203 3 2 5 35.69 71.38 0.379 3.99 8 20.9 2.1
204 0 8 0 35.755 71.51 0.379 3.97 2 166.5 33.6
205 5 6 1 35.777 71.554 0.379 3.97 8 7.7 0.3
206 6 5 1 35.926 71.852 0.381 3.94 8 11.5 0.6
207 6 3 3 35.969 71.938 0.381 3.93 8 14.7 1.0
208 4 4 4 36.058 72.116 0.382 3.91 8 181.5 157.3
209 0 8 1 36.403 72.805 0.385 3.84 4 3.4 0.0
210 0 4 5 36.532 73.063 0.386 3.81 4 14.8 0.5
211 3 7 2 36.54 73.079 0.386 3.81 8 47.8 10.6
212 3 5 4 36.604 73.208 0.387 3.8 8 0.8 0.0
213 8 0 0 36.618 73.236 0.387 3.79 2 207.3 49.8
214 1 8 1 36.735 73.471 0.388 3.77 8 2.9 0.0
215 0 7 3 36.765 73.53 0.389 3.76 4 20.9 1.0
216 5 3 4 36.819 73.638 0.389 3.75 8 14.6 1.0
217 1 4 5 36.864 73.728 0.389 3.75 8 20.2 1.9
218 4 7 1 36.936 73.873 0.39 3.73 8 15.1 1.0
219 4 1 5 37.065 74.129 0.391 3.71 8 49.7 11.2
220 7 3 2 37.076 74.151 0.391 3.71 8 53.8 13.1
221 2 8 0 37.089 74.177 0.391 3.7 4 26.5 1.6
222 1 7 3 37.096 74.193 0.392 3.7 8 16.0 1.2
223 0 6 4 37.121 74.241 0.392 3.7 4 7.2 0.1
224 3 3 5 37.289 74.577 0.393 3.67 8 7.5 0.3
225 7 4 1 37.377 74.754 0.394 3.65 8 15.0 1.0
226 5 5 3 37.417 74.833 0.394 3.64 8 4.8 0.1
227 7 0 3 37.42 74.839 0.394 3.64 4 12.1 0.3
228 1 6 4 37.451 74.902 0.395 3.64 8 5.1 0.1
229 8 1 1 37.577 75.153 0.396 3.62 8 11.1 0.5
230 6 0 4 37.6 75.201 0.396 3.61 4 52.1 6.0
231 5 6 2 37.706 75.413 0.397 3.59 8 0.4 0.0
232 2 8 1 37.727 75.455 0.397 3.59 8 48.2 10.2
233 7 1 3 37.736 75.472 0.397 3.59 8 30.0 3.9
234 6 5 2 37.852 75.705 0.398 3.57 8 4.8 0.1
235 2 4 5 37.855 75.709 0.398 3.57 8 4.6 0.1
236 8 2 0 37.887 75.774 0.399 3.56 4 24.4 1.3
237 6 1 4 37.916 75.832 0.399 3.56 8 0.2 0.0
238 4 6 3 37.929 75.858 0.399 3.56 8 53.9 12.6
239 4 2 5 38.014 76.027 0.4 3.54 8 2.3 0.0
240 2 7 3 38.085 76.17 0.4 3.53 8 13.7 0.8
241 6 4 3 38.194 76.388 0.401 3.51 8 46.6 9.3
242 0 8 2 38.32 76.64 0.402 3.49 4 34.5 2.5
243 2 6 4 38.436 76.873 0.404 3.47 8 18.3 1.4
244 0 0 6 38.489 76.978 0.404 3.47 2 29.2 0.9
245 8 2 1 38.521 77.043 0.404 3.46 8 48.5 10.0
246 1 8 2 38.647 77.294 0.405 3.44 8 2.3 0.0
247 7 2 3 38.679 77.358 0.406 3.44 8 34.2 4.9
248 6 6 0 38.774 77.548 0.407 3.42 4 24.0 1.2
249 0 1 6 38.802 77.605 0.407 3.42 4 3.0 0.0
250 4 7 2 38.845 77.689 0.407 3.41 8 22.4 2.1
251 6 2 4 38.858 77.716 0.407 3.41 8 17.3 1.3
252 4 5 4 38.908 77.815 0.408 3.4 8 54.7 12.4
253 5 4 4 39.026 78.052 0.409 3.39 8 2.3 0.0
254 1 1 6 39.128 78.256 0.41 3.37 8 41.9 7.2
255 8 0 2 39.163 78.326 0.41 3.37 4 13.3 0.4
256 5 7 0 39.254 78.508 0.411 3.35 4 0.3 0.0
257 7 4 2 39.278 78.556 0.411 3.35 8 6.9 0.2
258 3 8 1 39.361 78.723 0.412 3.34 8 2.1 0.0
259 0 5 5 39.369 78.738 0.412 3.34 4 40.2 3.3
260 6 6 1 39.404 78.807 0.412 3.33 8 30.6 3.8
261 8 1 2 39.475 78.949 0.413 3.32 8 9.7 0.4
262 3 4 5 39.487 78.974 0.413 3.32 8 33.2 4.5
263 7 5 0 39.569 79.137 0.413 3.31 4 69.2 9.7
264 4 3 5 39.579 79.158 0.414 3.31 8 41.1 6.8
265 2 8 2 39.623 79.246 0.414 3.3 8 18.4 1.4
266 1 5 5 39.694 79.387 0.415 3.29 8 21.1 1.8
267 5 0 5 39.697 79.393 0.415 3.29 4 22.4 1.0
268 3 7 3 39.715 79.429 0.415 3.29 8 20.0 1.6
269 0 2 6 39.738 79.476 0.415 3.29 4 80.8 13.1
270 2 0 6 39.79 79.581 0.415 3.28 4 51.3 5.3
271 5 7 1 39.882 79.764 0.416 3.27 8 62.6 15.6
272 5 1 5 40.007 80.014 0.417 3.25 8 9.1 0.3
273 1 2 6 40.062 80.123 0.418 3.25 8 17.9 1.3
274 3 6 4 40.062 80.123 0.418 3.25 8 1.1 0.0
275 8 3 1 40.081 80.161 0.418 3.24 8 0.3 0.0
276 2 1 6 40.101 80.202 0.418 3.24 8 30.0 3.6
277 7 5 1 40.195 80.39 0.419 3.23 8 46.9 8.7
278 7 3 3 40.237 80.474 0.419 3.23 8 19.7 1.5
279 8 2 2 40.406 80.812 0.421 3.21 8 33.3 4.3
280 6 3 4 40.414 80.827 0.421 3.2 8 4.3 0.1
281 2 5 5 40.663 81.326 0.423 3.18 8 55.5 12.0
282 5 6 3 40.853 81.705 0.425 3.15 8 28.9 3.2
283 5 2 5 40.936 81.872 0.425 3.15 8 18.5 1.3
284 6 5 3 40.996 81.991 0.426 3.14 8 1.0 0.0
285 4 8 0 40.998 81.996 0.426 3.14 4 117.4 26.4
286 2 2 6 41.029 82.058 0.426 3.13 8 128.2 63.0
287 0 7 4 41.182 82.364 0.427 3.12 4 29.2 1.6
288 3 8 2 41.236 82.473 0.428 3.11 8 8.2 0.3
289 6 6 2 41.278 82.556 0.428 3.11 8 128.6 62.8
290 0 3 6 41.286 82.571 0.428 3.11 4 16.0 0.5
291 1 9 0 41.42 82.84 0.429 3.09 4 11.1 0.2
292 0 8 3 41.454 82.908 0.43 3.09 4 15.1 0.4
293 1 7 4 41.503 83.006 0.43 3.09 8 28.9 3.1
294 1 3 6 41.606 83.213 0.431 3.08 8 21.0 1.7
295 4 8 1 41.62 83.239 0.431 3.07 8 19.4 1.4
296 8 4 0 41.62 83.24 0.431 3.07 4 141.9 37.8
297 3 1 6 41.71 83.42 0.432 3.07 8 3.3 0.0
298 0 9 1 41.72 83.44 0.432 3.06 4 15.1 0.4
299 4 4 5 41.744 83.487 0.432 3.06 8 11.3 0.5
300 5 7 2 41.752 83.503 0.432 3.06 8 16.7 1.0
301 1 8 3 41.775 83.549 0.432 3.06 8 16.2 1.0
302 5 5 4 41.814 83.627 0.433 3.06 8 9.4 0.3
303 8 3 2 41.948 83.897 0.434 3.04 8 4.7 0.1
304 4 7 3 41.969 83.937 0.434 3.04 8 1.4 0.0
305 1 9 1 42.041 84.081 0.435 3.03 8 35.2 4.6
306 7 5 2 42.062 84.124 0.435 3.03 8 4.0 0.1
307 7 1 4 42.124 84.248 0.435 3.03 8 36.4 4.9
308 8 4 1 42.24 84.48 0.436 3.02 8 1.5 0.0
309 3 5 5 42.268 84.536 0.437 3.01 8 13.1 0.6
310 4 6 4 42.312 84.624 0.437 3.01 8 9.1 0.3
311 7 4 3 42.395 84.79 0.438 3.0 8 19.5 1.4
312 9 1 0 42.454 84.909 0.438 3.0 4 9.7 0.2
313 2 7 4 42.464 84.928 0.438 3.0 8 3.4 0.0
314 5 3 5 42.474 84.949 0.438 3.0 8 0.0 0.0
315 2 3 6 42.567 85.134 0.439 2.99 8 44.0 7.1
316 6 4 4 42.57 85.14 0.439 2.99 8 21.3 1.7
317 8 1 3 42.588 85.177 0.439 2.99 8 20.7 1.6
318 3 2 6 42.632 85.263 0.44 2.98 8 26.9 2.6
319 2 8 3 42.735 85.469 0.44 2.97 8 67.6 16.6
320 0 6 5 42.765 85.531 0.441 2.97 4 23.8 1.0
321 9 0 1 42.766 85.533 0.441 2.97 4 30.2 1.7
322 2 9 1 43.0 86.0 0.443 2.95 8 0.0 0.0
323 7 2 4 43.044 86.088 0.443 2.95 8 14.5 0.8
324 9 1 1 43.073 86.146 0.443 2.95 8 13.7 0.7
325 1 6 5 43.085 86.17 0.443 2.95 8 7.6 0.2
326 6 7 1 43.412 86.824 0.446 2.92 8 47.9 8.2
327 0 4 6 43.435 86.87 0.446 2.92 4 11.2 0.2
328 4 8 2 43.476 86.952 0.447 2.92 8 5.0 0.1
329 8 2 3 43.508 87.015 0.447 2.92 8 44.0 6.9
330 6 1 5 43.535 87.071 0.447 2.91 8 60.7 13.1
331 0 9 2 43.576 87.152 0.447 2.91 4 9.8 0.2
332 7 6 1 43.579 87.159 0.447 2.91 8 9.6 0.3
333 4 0 6 43.641 87.281 0.448 2.91 4 9.6 0.2
334 1 4 6 43.754 87.507 0.449 2.9 8 9.2 0.3
335 1 9 2 43.895 87.79 0.45 2.89 8 71.1 17.8
336 4 1 6 43.947 87.893 0.45 2.89 8 4.5 0.1
337 3 9 0 43.977 87.955 0.451 2.89 4 61.9 6.8
338 9 2 1 43.991 87.982 0.451 2.88 8 0.2 0.0
339 2 6 5 44.042 88.083 0.451 2.88 8 3.5 0.0
340 3 7 4 44.06 88.119 0.451 2.88 8 70.6 17.5
341 8 4 2 44.094 88.187 0.452 2.88 8 1.7 0.0
342 3 3 6 44.162 88.325 0.452 2.87 8 23.8 2.0
343 3 8 3 44.329 88.659 0.454 2.86 8 2.0 0.0
344 6 6 3 44.371 88.742 0.454 2.86 8 51.6 9.3
345 6 2 5 44.453 88.906 0.455 2.86 8 5.0 0.1
346 5 8 1 44.494 88.988 0.455 2.86 8 10.8 0.4
347 4 5 5 44.502 89.003 0.455 2.85 8 14.1 0.7
348 7 3 4 44.574 89.148 0.456 2.85 8 72.2 18.2
349 3 9 1 44.594 89.188 0.456 2.85 8 46.3 7.5
350 5 4 5 44.617 89.235 0.456 2.85 8 43.3 6.5
351 2 4 6 44.71 89.419 0.457 2.84 8 32.4 3.6
352 5 7 3 44.841 89.682 0.458 2.84 8 39.2 5.3
353 2 9 2 44.851 89.702 0.458 2.84 8 5.2 0.1
354 4 2 6 44.864 89.728 0.458 2.84 8 64.9 14.6
355 9 3 0 44.903 89.806 0.458 2.83 4 25.6 1.1
356 9 1 2 44.924 89.847 0.458 2.83 8 70.3 17.1
357 8 5 1 44.995 89.991 0.459 2.83 8 16.2 0.9
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 5.991 11.982 7.37996 104.6 6.6 6.7 5.6
2 0 1 1 7.288 14.577 6.07175 68.8 4.4 4.4 5.6
3 1 0 1 7.339 14.679 6.02986 26.6 1.7 1.7 5.6
4 0 2 1 10.321 20.642 4.29937 114.7 7.3 7.3 5.6
5 2 1 1 11.29 22.581 3.93435 322.6 20.4 20.6 5.6
6 0 0 2 11.973 23.946 3.713 203.4 12.9 13.0 5.6
7 2 2 0 12.049 24.098 3.68998 381.0 24.1 24.3 5.6
8 1 3 0 13.383 26.766 3.32795 93.5 5.9 6.0 5.6
9 1 1 2 13.428 26.857 3.31686 309.3 19.6 19.7 5.6
10 2 2 1 13.48 26.959 3.30451 16.0 1.0 1.0 5.6
11 3 1 0 13.61 27.219 3.27356 208.3 13.2 13.3 5.6
12 1 2 2 15.335 30.669 2.91271 19.4 1.2 1.2 5.6
13 2 3 1 16.536 33.073 2.70632 237.8 15.1 15.1 5.6
14 0 4 0 16.987 33.975 2.6365 399.0 25.3 25.3 5.7
15 2 2 2 17.116 34.231 2.61731 1580.0 100.0 100.0 5.7
16 4 0 0 17.352 34.704 2.58275 396.5 25.1 25.1 5.7
17 1 3 2 18.109 36.218 2.4782 20.2 1.3 1.3 5.7
18 1 1 3 19.161 38.322 2.34684 62.4 4.0 3.9 5.7
19 3 3 1 19.26 38.52 2.33519 35.0 2.2 2.2 5.7
20 4 2 0 19.396 38.792 2.31946 39.4 2.5 2.5 5.7
21 3 2 2 19.77 39.54 2.27728 21.1 1.3 1.3 5.7
22 0 2 3 20.106 40.213 2.24072 49.1 3.1 3.1 5.7
23 0 4 2 20.997 41.994 2.14968 33.2 2.1 2.1 5.7
24 4 0 2 21.303 42.606 2.12025 64.0 4.1 4.0 5.7
25 1 5 0 21.884 43.769 2.06657 34.5 2.2 2.2 5.7
26 2 2 3 22.007 44.013 2.05565 30.1 1.9 1.9 5.7
27 1 5 1 22.762 45.523 1.99091 39.5 2.5 2.5 5.7
28 1 3 3 22.819 45.638 1.98616 30.2 1.9 1.9 5.7
29 3 1 3 22.963 45.925 1.97441 27.8 1.8 1.7 5.7
30 4 2 2 23.052 46.104 1.96718 37.8 2.4 2.4 5.7
31 3 2 3 24.213 48.426 1.87814 24.5 1.6 1.5 5.7
32 0 0 4 24.514 49.027 1.8565 240.3 15.2 15.0 5.7
33 4 4 0 24.677 49.353 1.84499 481.0 30.4 30.0 5.7
34 1 5 2 25.251 50.501 1.80572 43.1 2.7 2.7 5.8
35 5 1 2 25.648 51.296 1.77959 98.3 6.2 6.1 5.8
36 4 1 3 25.923 51.847 1.76197 62.9 4.0 3.9 5.8
37 3 3 3 26.197 52.393 1.74487 25.2 1.6 1.6 5.8
38 6 0 0 26.574 53.149 1.72183 24.1 1.5 1.5 5.8
39 0 6 1 26.766 53.532 1.71041 24.1 1.5 1.5 5.8
40 2 4 3 26.881 53.762 1.70364 46.5 2.9 2.9 5.8
41 6 1 1 27.71 55.421 1.65651 20.5 1.3 1.3 5.8
42 1 3 4 28.366 56.732 1.62129 31.2 2.0 1.9 5.8
43 3 5 2 28.415 56.831 1.61872 38.2 2.4 2.4 5.8
44 3 1 4 28.489 56.978 1.61488 28.0 1.8 1.7 5.8
45 0 5 3 28.672 57.344 1.60543 50.7 3.2 3.1 5.8
46 5 1 3 29.411 58.822 1.56858 16.2 1.0 1.0 5.8
47 6 0 2 29.546 59.092 1.56205 19.7 1.2 1.2 5.8
48 0 4 4 30.494 60.989 1.51794 290.0 18.4 17.8 5.8
49 6 3 1 30.586 61.171 1.51384 17.8 1.1 1.1 5.8
50 4 0 4 30.729 61.458 1.50747 85.4 5.4 5.2 5.8
51 6 2 2 30.951 61.902 1.49771 168.4 10.7 10.3 5.8
52 7 1 0 31.803 63.607 1.46161 24.4 1.5 1.5 5.9
53 2 7 1 32.86 65.72 1.41964 29.6 1.9 1.8 5.9
54 2 1 5 32.995 65.991 1.41447 23.7 1.5 1.4 5.9
55 3 7 0 33.922 67.845 1.38026 32.6 2.1 2.0 5.9
56 5 5 2 34.166 68.332 1.37159 52.6 3.3 3.2 5.9
57 4 5 3 34.398 68.796 1.36348 17.0 1.1 1.0 5.9
58 7 3 0 34.475 68.951 1.36079 25.6 1.6 1.6 5.9
59 2 3 5 35.622 71.245 1.32251 41.7 2.6 2.5 5.9
60 0 8 0 35.755 71.51 1.31825 33.9 2.1 2.0 5.9
61 4 4 4 36.058 72.116 1.30866 157.3 10.0 9.5 5.9
62 8 0 0 36.618 73.236 1.29138 49.8 3.2 3.0 6.0
63 7 3 2 37.076 74.151 1.27769 27.2 1.7 1.6 6.0
64 7 5 0 39.569 79.137 1.20923 16.5 1.0 1.0 6.0
65 4 8 0 40.998 81.996 1.17415 26.4 1.7 1.6 6.1
66 2 2 6 41.029 82.058 1.17342 63.0 4.0 3.7 6.1
67 6 6 2 41.278 82.556 1.1676 63.3 4.0 3.7 6.1
68 8 4 0 41.62 83.24 1.15973 40.9 2.6 2.4 6.1
69 2 8 3 42.735 85.469 1.1351 16.6 1.1 1.0 6.1
70 6 1 5 43.535 87.071 1.11829 20.0 1.3 1.2 6.1
71 1 9 2 43.895 87.79 1.11097 17.8 1.1 1.0 6.2
72 3 7 4 44.06 88.119 1.10767 17.5 1.1 1.0 6.2
73 7 3 4 44.574 89.148 1.09753 25.6 1.6 1.5 6.2
74 4 2 6 44.864 89.728 1.09194 20.0 1.3 1.2 6.2
75 9 1 2 44.924 89.847 1.09079 18.2 1.2 1.1 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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