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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TYCHITE
2, g-tychite
Na(6)Mg(2)[SO(4)][CO(3)](4)
Cubic F d3 Z = 8
Fd3
11 .1 .1991
Ref.Str.:
Wyckoff R.W.G. (1964)
* Crystal Structures, 2, 474
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.93 alpha = 90.0
b = 13.93 beta = 90.0
c = 13.93 gamma = 90.0
Unit cell volume (cub. angs.) = 2703.05
Molar volume ( cub.cm/mol.) = 203.52
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.625 0.625 0.625 0.0 Mg = 1.00
2 0.225 0.0 0.0 0.0 Na = 1.00
3 0.0 0.0 0.0 0.0 S = 1.00
4 0.4 0.4 0.4 0.0 C = 1.00
5 0.062 0.062 0.062 0.0 O = 1.00
6 0.375 0.352 0.473 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.625 0.625 0.625
2 2 0.225 0.0 0.0
3 3 0.0 0.0 0.0
4 4 0.4 0.4 0.4
5 5 0.062 0.062 0.062
6 6 0.375 0.352 0.473
7 1 0.375 0.375 0.625
8 2 0.775 0.0 0.0
9 4 0.6 0.6 0.4
10 5 0.938 0.938 0.062
11 6 0.625 0.648 0.473
12 1 0.875 0.875 0.625
13 2 0.275 0.5 0.0
14 3 0.5 0.5 0.0
15 4 0.1 0.1 0.4
16 5 0.438 0.438 0.062
17 6 0.125 0.148 0.473
18 1 0.125 0.125 0.625
19 2 0.725 0.5 0.0
20 4 0.9 0.9 0.4
21 5 0.562 0.562 0.062
22 6 0.875 0.852 0.473
23 1 0.375 0.625 0.375
24 4 0.6 0.4 0.6
25 5 0.938 0.062 0.938
26 6 0.625 0.352 0.527
27 1 0.625 0.375 0.375
28 4 0.4 0.6 0.6
29 5 0.062 0.938 0.938
30 6 0.375 0.648 0.527
31 1 0.125 0.875 0.375
32 4 0.9 0.1 0.6
33 5 0.562 0.438 0.938
34 6 0.875 0.148 0.527
35 1 0.875 0.125 0.375
36 4 0.1 0.9 0.6
37 5 0.438 0.562 0.938
38 6 0.125 0.852 0.527
39 1 0.875 0.375 0.125
40 2 0.275 0.0 0.5
41 3 0.5 0.0 0.5
42 4 0.1 0.6 0.9
43 5 0.438 0.938 0.562
44 6 0.125 0.648 0.973
45 1 0.125 0.625 0.125
46 2 0.725 0.0 0.5
47 4 0.9 0.4 0.9
48 5 0.562 0.062 0.562
49 6 0.875 0.352 0.973
50 1 0.625 0.125 0.125
51 2 0.225 0.5 0.5
52 3 0.0 0.5 0.5
53 4 0.4 0.9 0.9
54 5 0.062 0.562 0.562
55 6 0.375 0.852 0.973
56 1 0.375 0.875 0.125
57 2 0.775 0.5 0.5
58 4 0.6 0.1 0.9
59 5 0.938 0.438 0.562
60 6 0.625 0.148 0.973
61 1 0.125 0.375 0.875
62 4 0.9 0.6 0.1
63 5 0.562 0.938 0.438
64 6 0.875 0.648 0.027
65 1 0.875 0.625 0.875
66 4 0.1 0.4 0.1
67 5 0.438 0.062 0.438
68 6 0.125 0.352 0.027
69 1 0.375 0.125 0.875
70 4 0.6 0.9 0.1
71 5 0.938 0.562 0.438
72 6 0.625 0.852 0.027
73 1 0.625 0.875 0.875
74 4 0.4 0.1 0.1
75 5 0.062 0.438 0.438
76 6 0.375 0.148 0.027
77 2 0.025 0.25 0.25
78 3 0.25 0.25 0.25
79 4 0.85 0.65 0.65
80 5 0.188 0.312 0.312
81 6 0.875 0.602 0.723
82 2 0.475 0.25 0.25
83 4 0.65 0.85 0.65
84 5 0.312 0.188 0.312
85 6 0.625 0.898 0.723
86 2 0.975 0.75 0.25
87 3 0.75 0.75 0.25
88 4 0.15 0.35 0.65
89 5 0.812 0.688 0.312
90 6 0.125 0.398 0.723
91 2 0.525 0.75 0.25
92 4 0.35 0.15 0.65
93 5 0.688 0.812 0.312
94 6 0.375 0.102 0.723
95 4 0.65 0.65 0.85
96 5 0.312 0.312 0.188
97 6 0.625 0.602 0.777
98 4 0.85 0.85 0.85
99 5 0.188 0.188 0.188
100 6 0.875 0.898 0.777
101 4 0.35 0.35 0.85
102 5 0.688 0.688 0.188
103 6 0.375 0.398 0.777
104 4 0.15 0.15 0.85
105 5 0.812 0.812 0.188
106 6 0.125 0.102 0.777
107 2 0.975 0.25 0.75
108 3 0.75 0.25 0.75
109 4 0.15 0.85 0.15
110 5 0.812 0.188 0.812
111 6 0.125 0.898 0.223
112 2 0.525 0.25 0.75
113 4 0.35 0.65 0.15
114 5 0.688 0.312 0.812
115 6 0.375 0.602 0.223
116 2 0.025 0.75 0.75
117 3 0.25 0.75 0.75
118 4 0.85 0.15 0.15
119 5 0.188 0.812 0.812
120 6 0.875 0.102 0.223
121 2 0.475 0.75 0.75
122 4 0.65 0.35 0.15
123 5 0.312 0.688 0.812
124 6 0.625 0.398 0.223
125 4 0.35 0.85 0.35
126 5 0.688 0.188 0.688
127 6 0.375 0.898 0.277
128 4 0.15 0.65 0.35
129 5 0.812 0.312 0.688
130 6 0.125 0.602 0.277
131 4 0.65 0.15 0.35
132 5 0.312 0.812 0.688
133 6 0.625 0.102 0.277
134 4 0.85 0.35 0.35
135 5 0.188 0.688 0.688
136 6 0.875 0.398 0.277
137 2 0.0 0.0 0.225
138 2 0.0 0.225 0.0
139 6 0.352 0.473 0.375
140 6 0.473 0.375 0.352
141 2 0.0 0.0 0.775
142 2 0.0 0.775 0.0
143 6 0.648 0.473 0.625
144 6 0.473 0.625 0.648
145 2 0.5 0.0 0.275
146 2 0.0 0.275 0.5
147 6 0.148 0.473 0.125
148 6 0.473 0.125 0.148
149 2 0.5 0.0 0.725
150 2 0.0 0.725 0.5
151 6 0.852 0.473 0.875
152 6 0.473 0.875 0.852
153 6 0.352 0.527 0.625
154 6 0.527 0.625 0.352
155 6 0.648 0.527 0.375
156 6 0.527 0.375 0.648
157 6 0.148 0.527 0.875
158 6 0.527 0.875 0.148
159 6 0.852 0.527 0.125
160 6 0.527 0.125 0.852
161 2 0.0 0.5 0.275
162 2 0.5 0.275 0.0
163 6 0.648 0.973 0.125
164 6 0.973 0.125 0.648
165 2 0.0 0.5 0.725
166 2 0.5 0.725 0.0
167 6 0.352 0.973 0.875
168 6 0.973 0.875 0.352
169 2 0.5 0.5 0.225
170 2 0.5 0.225 0.5
171 6 0.852 0.973 0.375
172 6 0.973 0.375 0.852
173 2 0.5 0.5 0.775
174 2 0.5 0.775 0.5
175 6 0.148 0.973 0.625
176 6 0.973 0.625 0.148
177 6 0.648 0.027 0.875
178 6 0.027 0.875 0.648
179 6 0.352 0.027 0.125
180 6 0.027 0.125 0.352
181 6 0.852 0.027 0.625
182 6 0.027 0.625 0.852
183 6 0.148 0.027 0.375
184 6 0.027 0.375 0.148
185 2 0.25 0.25 0.025
186 2 0.25 0.025 0.25
187 6 0.602 0.723 0.875
188 6 0.723 0.875 0.602
189 2 0.25 0.25 0.475
190 2 0.25 0.475 0.25
191 6 0.898 0.723 0.625
192 6 0.723 0.625 0.898
193 2 0.75 0.25 0.975
194 2 0.25 0.975 0.75
195 6 0.398 0.723 0.125
196 6 0.723 0.125 0.398
197 2 0.75 0.25 0.525
198 2 0.25 0.525 0.75
199 6 0.102 0.723 0.375
200 6 0.723 0.375 0.102
201 6 0.602 0.777 0.625
202 6 0.777 0.625 0.602
203 6 0.898 0.777 0.875
204 6 0.777 0.875 0.898
205 6 0.398 0.777 0.375
206 6 0.777 0.375 0.398
207 6 0.102 0.777 0.125
208 6 0.777 0.125 0.102
209 2 0.25 0.75 0.975
210 2 0.75 0.975 0.25
211 6 0.898 0.223 0.125
212 6 0.223 0.125 0.898
213 2 0.25 0.75 0.525
214 2 0.75 0.525 0.25
215 6 0.602 0.223 0.375
216 6 0.223 0.375 0.602
217 2 0.75 0.75 0.025
218 2 0.75 0.025 0.75
219 6 0.102 0.223 0.875
220 6 0.223 0.875 0.102
221 2 0.75 0.75 0.475
222 2 0.75 0.475 0.75
223 6 0.398 0.223 0.625
224 6 0.223 0.625 0.398
225 6 0.898 0.277 0.375
226 6 0.277 0.375 0.898
227 6 0.602 0.277 0.125
228 6 0.277 0.125 0.602
229 6 0.102 0.277 0.625
230 6 0.277 0.625 0.102
231 6 0.398 0.277 0.875
232 6 0.277 0.875 0.398
X-ray density (g/cm cub.) = 2.57
MU (1/cm) = 59.2 Mass attenuation coefficient (cm**2/g) = 23.056
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.1415 6
2.1415 6
2.1415 6
2.1415 6
2.1415 6
2.1415 6
2 Na 2.808 6
2.5783 5
2.5783 5
2.5106 6
2.5106 6
2.2476 6
2.2476 6
3 S 1.98 4
1.4959 5
1.4959 5
1.4959 5
1.4959 5
4 C 1.872 3
1.2659 6
1.2659 6
1.2659 6
5 O 3.264 4
2.4428 5
2.4428 5
2.4428 5
3.0401 5
6 O 3.264 6
2.1925 6
2.1925 6
3.2448 6
3.2448 6
2.7955 6
2.7955 6
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 1 5.496 10.992 0.062 215.05 8 9.9 2.3
2 2 2 0 8.998 17.996 0.102 78.83 12 44.2 25.3
3 1 3 0 10.071 20.141 0.114 62.49 12 0.0 0.0
4 3 1 0 10.071 20.141 0.114 62.49 12 0.0 0.0
5 1 1 3 10.568 21.135 0.119 56.56 24 209.6 815.9
6 2 2 2 11.043 22.087 0.124 51.61 8 103.7 60.7
7 4 0 0 12.779 25.557 0.144 38.02 6 27.4 2.3
8 3 3 1 13.947 27.895 0.156 31.59 24 135.2 189.5
9 2 2 4 15.718 31.435 0.176 24.46 24 13.1 1.4
10 1 1 5 16.698 33.396 0.187 21.46 24 323.4 737.4
11 3 3 3 16.698 33.396 0.187 21.46 8 440.5 456.0
12 4 4 0 18.228 36.457 0.203 17.72 12 553.4 891.5
13 3 5 0 18.81 37.62 0.209 16.54 12 0.0 0.0
14 5 3 0 18.81 37.62 0.209 16.54 12 0.0 0.0
15 1 3 5 19.095 38.19 0.212 16.0 24 76.4 30.6
16 5 3 1 19.095 38.19 0.212 16.0 24 90.9 43.5
17 4 4 2 19.377 38.754 0.215 15.49 24 145.7 108.0
18 2 6 0 20.471 40.941 0.227 13.71 12 116.9 30.8
19 6 2 0 20.471 40.941 0.227 13.71 12 28.3 1.8
20 3 3 5 21.26 42.52 0.235 12.59 24 46.3 8.9
21 2 2 6 21.518 43.036 0.238 12.26 24 69.9 19.7
22 4 4 4 22.526 45.052 0.249 11.06 8 506.9 311.1
23 1 7 0 23.017 46.034 0.254 10.53 12 0.0 0.0
24 7 1 0 23.017 46.034 0.254 10.53 12 0.0 0.0
25 1 1 7 23.259 46.519 0.256 10.28 24 298.3 300.6
26 5 5 1 23.259 46.519 0.256 10.28 24 62.5 13.2
27 2 4 6 24.444 48.888 0.269 9.19 24 96.4 28.0
28 6 4 2 24.444 48.888 0.269 9.19 24 30.9 2.9
29 1 3 7 25.134 50.268 0.276 8.62 24 17.0 0.8
30 5 5 3 25.134 50.268 0.276 8.62 24 128.8 47.0
31 7 3 1 25.134 50.268 0.276 8.62 24 41.1 4.8
32 8 0 0 26.255 52.511 0.287 7.81 6 578.7 214.7
33 3 3 7 26.912 53.824 0.294 7.38 24 75.7 13.9
34 4 4 6 27.128 54.257 0.296 7.25 24 67.2 10.7
35 2 2 8 27.983 55.966 0.305 6.75 24 201.6 90.1
36 6 6 0 27.983 55.966 0.305 6.75 12 222.0 54.7
37 5 7 0 28.404 56.807 0.309 6.53 12 0.0 0.0
38 7 5 0 28.404 56.807 0.309 6.53 12 0.0 0.0
39 1 5 7 28.612 57.225 0.311 6.42 24 249.4 131.2
40 5 5 5 28.612 57.225 0.311 6.42 8 535.9 201.9
41 7 5 1 28.612 57.225 0.311 6.42 24 114.6 27.7
42 6 6 2 28.82 57.641 0.313 6.32 24 286.8 170.7
43 4 8 0 29.643 59.285 0.321 5.93 12 186.4 33.8
44 8 4 0 29.643 59.285 0.321 5.93 12 70.6 4.9
45 1 1 9 30.25 60.5 0.327 5.67 24 36.4 2.5
46 3 5 7 30.25 60.5 0.327 5.67 24 0.3 0.0
47 7 5 3 30.25 60.5 0.327 5.67 24 32.4 2.0
48 2 4 8 30.451 60.902 0.329 5.58 24 106.0 20.6
49 8 4 2 30.451 60.902 0.329 5.58 24 28.0 1.4
50 6 6 4 31.247 62.494 0.337 5.27 24 51.9 4.7
51 3 9 0 31.641 63.281 0.341 5.13 12 0.0 0.0
52 9 3 0 31.641 63.281 0.341 5.13 12 0.0 0.0
53 1 3 9 31.836 63.673 0.342 5.06 24 58.7 5.7
54 9 3 1 31.836 63.673 0.342 5.06 24 171.6 49.0
55 4 4 8 32.806 65.612 0.352 4.74 24 299.8 140.1
56 3 3 9 33.38 66.761 0.357 4.57 24 5.9 0.1
57 5 5 7 33.38 66.761 0.357 4.57 24 38.4 2.2
58 7 7 1 33.38 66.761 0.357 4.57 24 150.2 33.9
59 2 6 8 34.327 68.654 0.366 4.31 24 19.1 0.5
60 2 10 0 34.327 68.654 0.366 4.31 12 41.8 1.2
61 8 6 2 34.327 68.654 0.366 4.31 24 74.6 7.9
62 10 2 0 34.327 68.654 0.366 4.31 12 63.0 2.8
63 1 5 9 34.889 69.778 0.371 4.17 24 197.2 53.3
64 7 7 3 34.889 69.778 0.371 4.17 24 71.0 6.9
65 9 5 1 34.889 69.778 0.371 4.17 24 277.9 105.8
66 2 2 10 35.076 70.151 0.373 4.13 24 67.2 6.1
67 6 6 6 35.076 70.151 0.373 4.13 8 229.0 23.7
68 3 5 9 36.369 72.739 0.385 3.84 24 165.6 34.6
69 9 5 3 36.369 72.739 0.385 3.84 24 89.8 10.2
70 4 6 8 36.553 73.105 0.387 3.81 24 39.0 1.9
71 8 6 4 36.553 73.105 0.387 3.81 24 73.7 6.8
72 2 4 10 37.282 74.565 0.393 3.67 24 130.0 20.4
73 10 4 2 37.282 74.565 0.393 3.67 24 33.1 1.3
74 1 11 0 37.645 75.29 0.396 3.6 12 0.0 0.0
75 11 1 0 37.645 75.29 0.396 3.6 12 0.0 0.0
76 1 1 11 37.826 75.652 0.398 3.57 24 39.2 1.8
77 7 7 5 37.826 75.652 0.398 3.57 24 36.9 1.6
78 8 8 0 38.727 77.454 0.406 3.43 12 478.6 129.0
79 7 9 0 39.085 78.171 0.409 3.38 12 0.0 0.0
80 9 7 0 39.085 78.171 0.409 3.38 12 0.0 0.0
81 1 3 11 39.264 78.528 0.411 3.35 24 84.0 7.8
82 1 7 9 39.264 78.528 0.411 3.35 24 34.4 1.3
83 5 5 9 39.264 78.528 0.411 3.35 24 47.2 2.5
84 9 7 1 39.264 78.528 0.411 3.35 24 22.7 0.6
85 11 3 1 39.264 78.528 0.411 3.35 24 92.7 9.5
86 4 4 10 39.443 78.886 0.412 3.33 24 32.3 1.1
87 8 8 2 39.443 78.886 0.412 3.33 24 137.5 20.7
88 6 6 8 40.155 80.311 0.419 3.24 24 5.3 0.0
89 6 10 0 40.155 80.311 0.419 3.24 12 88.6 4.2
90 10 6 0 40.155 80.311 0.419 3.24 12 49.0 1.3
91 3 3 11 40.688 81.375 0.423 3.17 24 59.7 3.7
92 3 7 9 40.688 81.375 0.423 3.17 24 148.4 23.0
93 9 7 3 40.688 81.375 0.423 3.17 24 85.7 7.7
94 2 6 10 40.865 81.73 0.425 3.15 24 140.9 20.6
95 10 6 2 40.865 81.73 0.425 3.15 24 31.8 1.0
96 8 8 4 41.572 83.144 0.431 3.08 24 87.7 7.8
97 12 0 0 41.572 83.144 0.431 3.08 6 7.9 0.0
98 5 11 0 41.924 83.849 0.434 3.05 12 0.0 0.0
99 11 5 0 41.924 83.849 0.434 3.05 12 0.0 0.0
100 1 5 11 42.101 84.201 0.435 3.03 24 43.1 1.9
101 7 7 7 42.101 84.201 0.435 3.03 8 195.0 12.6
102 11 5 1 42.101 84.201 0.435 3.03 24 122.1 14.8
103 2 2 12 42.98 85.96 0.443 2.96 24 93.3 8.4
104 4 6 10 42.98 85.96 0.443 2.96 24 128.0 15.9
105 10 6 4 42.98 85.96 0.443 2.96 24 165.2 26.5
106 3 5 11 43.506 87.013 0.447 2.92 24 72.6 5.0
107 5 7 9 43.506 87.013 0.447 2.92 24 209.7 42.1
108 9 7 5 43.506 87.013 0.447 2.92 24 63.7 3.9
109 11 5 3 43.506 87.013 0.447 2.92 24 74.4 5.3
110 4 12 0 44.383 88.766 0.454 2.86 12 209.5 20.6
111 12 4 0 44.383 88.766 0.454 2.86 12 377.5 67.0
112 9 9 1 44.909 89.817 0.458 2.83 24 250.4 58.3
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 2 0 8.998 17.996 4.925 25.3 2.1 2.1 5.6
2 1 1 3 10.568 21.135 4.20005 815.9 68.4 69.0 5.6
3 2 2 2 11.043 22.087 4.02125 60.7 5.1 5.1 5.6
4 3 3 1 13.947 27.895 3.19576 189.5 15.9 16.0 5.6
5 1 1 5 16.698 33.396 2.68083 1193.4 100.0 100.0 5.7
6 4 4 0 18.228 36.457 2.4625 891.5 74.7 74.5 5.7
7 5 3 1 19.095 38.19 2.3546 74.1 6.2 6.2 5.7
8 4 4 2 19.377 38.754 2.32167 108.0 9.0 9.0 5.7
9 2 6 0 20.471 40.941 2.20253 32.6 2.7 2.7 5.7
10 2 2 6 21.518 43.036 2.10003 19.7 1.6 1.6 5.7
11 4 4 4 22.526 45.052 2.01062 311.1 26.1 25.8 5.7
12 1 1 7 23.259 46.519 1.95059 313.8 26.3 26.0 5.7
13 2 4 6 24.444 48.888 1.86147 30.9 2.6 2.5 5.7
14 5 5 3 25.134 50.268 1.81353 51.8 4.3 4.3 5.8
15 8 0 0 26.255 52.511 1.74125 214.7 18.0 17.6 5.8
16 3 3 7 26.912 53.824 1.70182 13.9 1.2 1.1 5.8
17 2 2 8 27.983 55.966 1.64167 144.8 12.1 11.8 5.8
18 5 5 5 28.612 57.225 1.6085 360.9 30.2 29.4 5.8
19 6 6 2 28.82 57.641 1.59788 170.7 14.3 13.9 5.8
20 4 8 0 29.643 59.285 1.55742 38.7 3.2 3.1 5.8
21 2 4 8 30.451 60.902 1.51989 22.1 1.8 1.8 5.8
22 9 3 1 31.836 63.673 1.46026 54.7 4.6 4.4 5.9
23 4 4 8 32.806 65.612 1.42172 140.1 11.7 11.3 5.9
24 7 7 1 33.38 66.761 1.40002 36.1 3.0 2.9 5.9
25 10 2 0 34.327 68.654 1.36595 11.9 1.0 1.0 5.9
26 9 5 1 34.889 69.778 1.34666 166.1 13.9 13.3 5.9
27 6 6 6 35.076 70.151 1.34041 29.8 2.5 2.4 5.9
28 3 5 9 36.369 72.739 1.29898 44.8 3.8 3.6 6.0
29 2 4 10 37.282 74.565 1.27163 21.7 1.8 1.7 6.0
30 8 8 0 38.727 77.454 1.23125 129.0 10.8 10.2 6.0
31 11 3 1 39.264 78.528 1.21707 21.6 1.8 1.7 6.0
32 8 8 2 39.443 78.886 1.21245 21.8 1.8 1.7 6.0
33 9 7 3 40.688 81.375 1.18153 34.3 2.9 2.7 6.1
34 2 6 10 40.865 81.73 1.1773 21.6 1.8 1.7 6.1
35 11 5 1 42.101 84.201 1.14893 29.3 2.5 2.3 6.1
36 10 6 4 42.98 85.96 1.12987 50.8 4.3 3.9 6.1
37 11 5 3 43.506 87.013 1.11888 56.4 4.7 4.3 6.1
38 12 4 0 44.383 88.766 1.10126 87.6 7.3 6.7 6.2
39 9 9 1 44.909 89.817 1.09108 58.3 4.9 4.5 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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