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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MANGANOTYCHITE
1, g-tychite
Na(6)Mn(2)[SO(4)][CO(3)](4)
Cubic * Fd3 Z = 8
*Fd3
11 .11 .1994
Ref.Str.:
Malinovsky Yu.A., Baturin S.V., Belov N.V. (1979)
* Dokl. Akad. Nauk SSSR, 249, 6, 1365-1368
Ref.Composition & Lattice:
Khomyakov A.P. et al. (1990)
* Zapiski VMO, 5, 46
[Proc. Rus. Min. Soc.]
Reserv:
The coordinates of atoms are from tychite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.995 alpha = 90.0
b = 13.995 beta = 90.0
c = 13.995 gamma = 90.0
Unit cell volume (cub. angs.) = 2741.06
Molar volume ( cub.cm/mol.) = 206.38
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.5 0.5 0.0 Mn = 1.00
2 0.9082 0.125 0.125 0.0 Na = 1.00
3 0.125 0.125 0.125 0.0 S = 1.00
4 0.2808 0.2808 0.2808 0.0 C = 1.00
5 0.9363 0.9363 0.9363 0.0 O = 1.00
6 0.2223 0.2672 0.3508 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.5 0.5
2 2 0.9082 0.125 0.125
3 3 0.125 0.125 0.125
4 4 0.2808 0.2808 0.2808
5 5 0.9363 0.9363 0.9363
6 6 0.2223 0.2672 0.3508
7 2 0.0918 0.875 0.875
8 3 0.875 0.875 0.875
9 4 0.7192 0.7192 0.7192
10 5 0.0637 0.0637 0.0637
11 6 0.7777 0.7328 0.6492
12 1 0.0 0.0 0.5
13 2 0.5918 0.375 0.875
14 3 0.375 0.375 0.875
15 4 0.2192 0.2192 0.7192
16 5 0.5637 0.5637 0.0637
17 6 0.2777 0.2328 0.6492
18 2 0.4082 0.625 0.125
19 3 0.625 0.625 0.125
20 4 0.7808 0.7808 0.2808
21 5 0.4363 0.4363 0.9363
22 6 0.7223 0.7672 0.3508
23 1 0.5 0.75 0.75
24 2 0.0918 0.375 0.375
25 3 0.875 0.375 0.375
26 4 0.7192 0.5308 0.5308
27 5 0.0637 0.1863 0.1863
28 6 0.7777 0.5172 0.6008
29 4 0.2808 0.9692 0.9692
30 5 0.9363 0.3137 0.3137
31 6 0.2223 0.9828 0.8992
32 1 0.0 0.25 0.75
33 4 0.7808 0.4692 0.9692
34 5 0.4363 0.8137 0.3137
35 6 0.7223 0.4828 0.8992
36 2 0.5918 0.875 0.375
37 3 0.375 0.875 0.375
38 4 0.2192 0.0308 0.5308
39 5 0.5637 0.6863 0.1863
40 6 0.2777 0.0172 0.6008
41 1 0.0 0.5 0.0
42 4 0.2192 0.7192 0.2192
43 5 0.5637 0.0637 0.5637
44 6 0.2777 0.7328 0.1492
45 2 0.4082 0.125 0.625
46 3 0.625 0.125 0.625
47 4 0.7808 0.2808 0.7808
48 5 0.4363 0.9363 0.4363
49 6 0.7223 0.2672 0.8508
50 1 0.5 0.0 0.0
51 2 0.9082 0.625 0.625
52 3 0.125 0.625 0.625
53 4 0.2808 0.7808 0.7808
54 5 0.9363 0.4363 0.4363
55 6 0.2223 0.7672 0.8508
56 4 0.7192 0.2192 0.2192
57 5 0.0637 0.5637 0.5637
58 6 0.7777 0.2328 0.1492
59 1 0.75 0.5 0.75
60 2 0.3418 0.125 0.125
61 4 0.9692 0.2808 0.9692
62 5 0.3137 0.9363 0.3137
63 6 0.0277 0.2672 0.8992
64 2 0.1582 0.875 0.375
65 4 0.5308 0.7192 0.5308
66 5 0.1863 0.0637 0.1863
67 6 0.4723 0.7328 0.6008
68 1 0.25 0.0 0.75
69 2 0.6582 0.375 0.375
70 4 0.0308 0.2192 0.5308
71 5 0.6863 0.5637 0.1863
72 6 0.9723 0.2328 0.6008
73 2 0.8418 0.625 0.125
74 4 0.4692 0.7808 0.9692
75 5 0.8137 0.4363 0.3137
76 6 0.5277 0.7672 0.8992
77 1 0.75 0.75 0.5
78 2 0.1582 0.375 0.875
79 4 0.5308 0.5308 0.7192
80 5 0.1863 0.1863 0.0637
81 6 0.4723 0.5172 0.6492
82 4 0.9692 0.9692 0.2808
83 5 0.3137 0.3137 0.9363
84 6 0.0277 0.9828 0.3508
85 1 0.25 0.25 0.5
86 4 0.4692 0.4692 0.2808
87 5 0.8137 0.8137 0.9363
88 6 0.5277 0.4828 0.3508
89 2 0.6582 0.875 0.875
90 4 0.0308 0.0308 0.7192
91 5 0.6863 0.6863 0.0637
92 6 0.9723 0.0172 0.6492
93 1 0.25 0.5 0.25
94 4 0.0308 0.7192 0.0308
95 5 0.6863 0.0637 0.6863
96 6 0.9723 0.7328 0.1008
97 2 0.8418 0.125 0.625
98 4 0.4692 0.2808 0.4692
99 5 0.8137 0.9363 0.8137
100 6 0.5277 0.2672 0.3992
101 1 0.75 0.0 0.25
102 2 0.3418 0.625 0.625
103 4 0.9692 0.7808 0.4692
104 5 0.3137 0.4363 0.8137
105 6 0.0277 0.7672 0.3992
106 4 0.5308 0.2192 0.0308
107 5 0.1863 0.5637 0.6863
108 6 0.4723 0.2328 0.1008
109 1 0.25 0.75 0.0
110 4 0.4692 0.9692 0.7808
111 5 0.8137 0.3137 0.4363
112 6 0.5277 0.9828 0.8508
113 4 0.0308 0.5308 0.2192
114 5 0.6863 0.1863 0.5637
115 6 0.9723 0.5172 0.1492
116 1 0.75 0.25 0.0
117 4 0.5308 0.0308 0.2192
118 5 0.1863 0.6863 0.5637
119 6 0.4723 0.0172 0.1492
120 4 0.9692 0.4692 0.7808
121 5 0.3137 0.8137 0.4363
122 6 0.0277 0.4828 0.8508
123 1 0.0 0.75 0.25
124 4 0.7808 0.9692 0.4692
125 5 0.4363 0.3137 0.8137
126 6 0.7223 0.9828 0.3992
127 4 0.2192 0.5308 0.0308
128 5 0.5637 0.1863 0.6863
129 6 0.2777 0.5172 0.1008
130 1 0.5 0.25 0.25
131 4 0.7192 0.0308 0.0308
132 5 0.0637 0.6863 0.6863
133 6 0.7777 0.0172 0.1008
134 4 0.2808 0.4692 0.4692
135 5 0.9363 0.8137 0.8137
136 6 0.2223 0.4828 0.3992
137 2 0.125 0.125 0.9082
138 2 0.125 0.9082 0.125
139 6 0.2672 0.3508 0.2223
140 6 0.3508 0.2223 0.2672
141 2 0.875 0.875 0.0918
142 2 0.875 0.0918 0.875
143 6 0.7328 0.6492 0.7777
144 6 0.6492 0.7777 0.7328
145 2 0.375 0.875 0.5918
146 2 0.875 0.5918 0.375
147 6 0.2328 0.6492 0.2777
148 6 0.6492 0.2777 0.2328
149 2 0.625 0.125 0.4082
150 2 0.125 0.4082 0.625
151 6 0.7672 0.3508 0.7223
152 6 0.3508 0.7223 0.7672
153 2 0.375 0.375 0.0918
154 2 0.375 0.0918 0.375
155 6 0.5172 0.6008 0.7777
156 6 0.6008 0.7777 0.5172
157 6 0.9828 0.8992 0.2223
158 6 0.8992 0.2223 0.9828
159 6 0.4828 0.8992 0.7223
160 6 0.8992 0.7223 0.4828
161 2 0.875 0.375 0.5918
162 2 0.375 0.5918 0.875
163 6 0.0172 0.6008 0.2777
164 6 0.6008 0.2777 0.0172
165 6 0.7328 0.1492 0.2777
166 6 0.1492 0.2777 0.7328
167 2 0.125 0.625 0.4082
168 2 0.625 0.4082 0.125
169 6 0.2672 0.8508 0.7223
170 6 0.8508 0.7223 0.2672
171 2 0.625 0.625 0.9082
172 2 0.625 0.9082 0.625
173 6 0.7672 0.8508 0.2223
174 6 0.8508 0.2223 0.7672
175 6 0.2328 0.1492 0.7777
176 6 0.1492 0.7777 0.2328
177 2 0.125 0.125 0.3418
178 2 0.125 0.3418 0.125
179 6 0.2672 0.8992 0.0277
180 6 0.8992 0.0277 0.2672
181 2 0.875 0.375 0.1582
182 2 0.375 0.1582 0.875
183 6 0.7328 0.6008 0.4723
184 6 0.6008 0.4723 0.7328
185 2 0.375 0.375 0.6582
186 2 0.375 0.6582 0.375
187 6 0.2328 0.6008 0.9723
188 6 0.6008 0.9723 0.2328
189 2 0.625 0.125 0.8418
190 2 0.125 0.8418 0.625
191 6 0.7672 0.8992 0.5277
192 6 0.8992 0.5277 0.7672
193 2 0.375 0.875 0.1582
194 2 0.875 0.1582 0.375
195 6 0.5172 0.6492 0.4723
196 6 0.6492 0.4723 0.5172
197 6 0.9828 0.3508 0.0277
198 6 0.3508 0.0277 0.9828
199 6 0.4828 0.3508 0.5277
200 6 0.3508 0.5277 0.4828
201 2 0.875 0.875 0.6582
202 2 0.875 0.6582 0.875
203 6 0.0172 0.6492 0.9723
204 6 0.6492 0.9723 0.0172
205 6 0.7328 0.1008 0.9723
206 6 0.1008 0.9723 0.7328
207 2 0.125 0.625 0.8418
208 2 0.625 0.8418 0.125
209 6 0.2672 0.3992 0.5277
210 6 0.3992 0.5277 0.2672
211 2 0.625 0.625 0.3418
212 2 0.625 0.3418 0.625
213 6 0.7672 0.3992 0.0277
214 6 0.3992 0.0277 0.7672
215 6 0.2328 0.1008 0.4723
216 6 0.1008 0.4723 0.2328
217 6 0.9828 0.8508 0.5277
218 6 0.8508 0.5277 0.9828
219 6 0.5172 0.1492 0.9723
220 6 0.1492 0.9723 0.5172
221 6 0.0172 0.1492 0.4723
222 6 0.1492 0.4723 0.0172
223 6 0.4828 0.8508 0.0277
224 6 0.8508 0.0277 0.4828
225 6 0.9828 0.3992 0.7223
226 6 0.3992 0.7223 0.9828
227 6 0.5172 0.1008 0.2777
228 6 0.1008 0.2777 0.5172
229 6 0.0172 0.1008 0.7777
230 6 0.1008 0.7777 0.0172
231 6 0.4828 0.3992 0.2223
232 6 0.3992 0.2223 0.4828
X-ray density (g/cm cub.) = 2.83
MU (1/cm) = 75.921 Mass attenuation coefficient (cm**2/g) = 26.838
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
2.1375 6
2.1375 6
2.1375 6
2.1375 6
2.1375 6
2.1375 6
2 Na 2.808 6
2.4913 5
2.4913 5
2.3935 6
2.3935 6
2.415 6
2.415 6
3 S 1.98 4
1.4862 5
1.4862 5
1.4862 5
1.4862 5
4 C 1.872 3
1.2903 6
1.2903 6
1.2903 6
5 O 3.264 4
3.0877 5
2.4269 5
2.4269 5
2.4269 5
6 O 3.264 7
3.0923 6
2.2347 6
2.2347 6
3.1522 6
2.888 6
2.888 6
3.1522 6
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 1 6.356 12.711 0.062 160.24 8 125.4 268.5
2 2 2 0 10.415 20.83 0.101 58.29 12 81.6 62.0
3 1 3 0 11.66 23.321 0.113 46.08 12 0.0 0.0
4 3 1 0 11.66 23.321 0.113 46.08 12 0.0 0.0
5 1 1 3 12.238 24.476 0.118 41.64 24 286.9 1094.8
6 2 2 2 12.791 25.583 0.124 37.94 8 119.6 57.8
7 4 0 0 14.812 29.624 0.143 27.79 6 119.4 31.7
8 3 3 1 16.176 32.352 0.156 22.99 24 54.5 21.8
9 2 2 4 18.247 36.493 0.175 17.68 24 60.9 20.9
10 1 1 5 19.396 38.793 0.186 15.45 24 436.9 942.0
11 3 3 3 19.396 38.793 0.186 15.45 8 315.4 163.6
12 4 4 0 21.195 42.39 0.202 12.68 12 639.8 829.1
13 3 5 0 21.881 43.761 0.208 11.81 12 0.0 0.0
14 5 3 0 21.881 43.761 0.208 11.81 12 0.0 0.0
15 1 3 5 22.217 44.434 0.211 11.41 24 244.4 217.7
16 5 3 1 22.217 44.434 0.211 11.41 24 27.4 2.7
17 4 4 2 22.549 45.098 0.214 11.03 24 107.8 40.9
18 2 6 0 23.842 47.685 0.226 9.72 12 131.5 26.8
19 6 2 0 23.842 47.685 0.226 9.72 12 160.9 40.2
20 3 3 5 24.778 49.556 0.234 8.91 24 114.5 37.3
21 2 2 6 25.084 50.168 0.237 8.66 24 250.2 173.3
22 4 4 4 26.283 52.565 0.248 7.79 8 278.6 64.4
23 1 7 0 26.868 53.735 0.253 7.41 12 0.0 0.0
24 7 1 0 26.868 53.735 0.253 7.41 12 0.0 0.0
25 1 1 7 27.157 54.314 0.255 7.23 24 318.3 234.1
26 5 5 1 27.157 54.314 0.255 7.23 24 69.1 11.0
27 2 4 6 28.573 57.146 0.267 6.44 24 145.0 43.3
28 6 4 2 28.573 57.146 0.267 6.44 24 67.9 9.5
29 1 3 7 29.401 58.803 0.274 6.04 24 44.1 3.7
30 5 5 3 29.401 58.803 0.274 6.04 24 211.8 86.5
31 7 3 1 29.401 58.803 0.274 6.04 24 79.7 12.3
32 8 0 0 30.751 61.501 0.286 5.46 6 575.8 144.7
33 3 3 7 31.544 63.087 0.292 5.17 24 255.2 107.5
34 4 4 6 31.806 63.611 0.295 5.07 24 119.5 23.1
35 2 2 8 32.842 65.683 0.303 4.73 24 231.0 80.7
36 6 6 0 32.842 65.683 0.303 4.73 12 191.2 27.6
37 5 7 0 33.353 66.706 0.307 4.58 12 0.0 0.0
38 7 5 0 33.353 66.706 0.307 4.58 12 0.0 0.0
39 1 5 7 33.608 67.215 0.309 4.51 24 137.3 27.1
40 5 5 5 33.608 67.215 0.309 4.51 8 555.8 148.2
41 7 5 1 33.608 67.215 0.309 4.51 24 348.9 175.2
42 6 6 2 33.861 67.722 0.311 4.44 24 392.5 218.3
43 4 8 0 34.866 69.731 0.32 4.18 12 94.3 5.9
44 8 4 0 34.866 69.731 0.32 4.18 12 0.2 0.0
45 1 1 9 35.611 71.221 0.325 4.0 24 40.3 2.1
46 3 5 7 35.611 71.221 0.325 4.0 24 43.0 2.4
47 7 5 3 35.611 71.221 0.325 4.0 24 98.9 12.5
48 2 4 8 35.857 71.715 0.327 3.95 24 75.0 7.1
49 8 4 2 35.857 71.715 0.327 3.95 24 157.2 31.2
50 6 6 4 36.838 73.676 0.335 3.75 24 41.8 2.1
51 3 9 0 37.325 74.649 0.339 3.66 12 0.0 0.0
52 9 3 0 37.325 74.649 0.339 3.66 12 0.0 0.0
53 1 3 9 37.567 75.134 0.341 3.62 24 259.7 77.9
54 9 3 1 37.567 75.134 0.341 3.62 24 143.7 23.9
55 4 4 8 38.771 77.543 0.35 3.42 24 386.2 163.1
56 3 3 9 39.489 78.977 0.355 3.32 24 77.9 6.4
57 5 5 7 39.489 78.977 0.355 3.32 24 39.2 1.6
58 7 7 1 39.489 78.977 0.355 3.32 24 189.3 38.0
59 2 6 8 40.676 81.353 0.364 3.17 24 57.7 3.4
60 2 10 0 40.676 81.353 0.364 3.17 12 45.0 1.0
61 8 6 2 40.676 81.353 0.364 3.17 24 28.1 0.8
62 10 2 0 40.676 81.353 0.364 3.17 12 152.0 11.7
63 1 5 9 41.385 82.771 0.37 3.1 24 366.2 132.7
64 7 7 3 41.385 82.771 0.37 3.1 24 12.5 0.2
65 9 5 1 41.385 82.771 0.37 3.1 24 187.2 34.7
66 2 2 10 41.621 83.242 0.371 3.07 24 102.6 10.3
67 6 6 6 41.621 83.242 0.371 3.07 8 273.7 24.5
68 3 5 9 43.266 86.532 0.383 2.93 24 20.2 0.4
69 9 5 3 43.266 86.532 0.383 2.93 24 123.6 14.3
70 4 6 8 43.501 87.001 0.385 2.92 24 116.5 12.6
71 8 6 4 43.501 87.001 0.385 2.92 24 12.7 0.2
72 2 4 10 44.437 88.875 0.391 2.86 24 11.0 0.1
73 10 4 2 44.437 88.875 0.391 2.86 24 127.4 14.8
74 1 11 0 44.906 89.811 0.395 2.83 12 0.0 0.0
75 11 1 0 44.906 89.811 0.395 2.83 12 0.0 0.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 1 6.356 12.711 8.08002 268.5 24.3 24.8 5.6
2 2 2 0 10.415 20.83 4.94798 62.0 5.6 5.7 5.6
3 1 1 3 12.238 24.476 4.21965 1094.8 99.0 100.2 5.6
4 2 2 2 12.791 25.583 4.04001 57.8 5.2 5.3 5.6
5 4 0 0 14.812 29.624 3.49875 31.7 2.9 2.9 5.6
6 3 3 1 16.176 32.352 3.21067 21.8 2.0 2.0 5.6
7 2 2 4 18.247 36.493 2.85672 20.9 1.9 1.9 5.7
8 1 1 5 19.396 38.793 2.69334 1105.6 100.0 100.0 5.7
9 4 4 0 21.195 42.39 2.47399 829.1 75.0 74.7 5.7
10 1 3 5 22.217 44.434 2.36559 220.4 19.9 19.8 5.7
11 4 4 2 22.549 45.098 2.3325 40.9 3.7 3.7 5.7
12 6 2 0 23.842 47.685 2.2128 67.1 6.1 6.0 5.7
13 3 3 5 24.778 49.556 2.13422 37.3 3.4 3.3 5.7
14 2 2 6 25.084 50.168 2.10983 173.3 15.7 15.5 5.7
15 4 4 4 26.283 52.565 2.02 64.4 5.8 5.7 5.8
16 1 1 7 27.157 54.314 1.95969 245.1 22.2 21.8 5.8
17 2 4 6 28.573 57.146 1.87016 52.8 4.8 4.7 5.8
18 7 3 1 29.401 58.803 1.82199 102.5 9.3 9.1 5.8
19 8 0 0 30.751 61.501 1.74938 144.7 13.1 12.7 5.8
20 3 3 7 31.544 63.087 1.70976 107.5 9.7 9.4 5.9
21 4 4 6 31.806 63.611 1.69714 23.1 2.1 2.0 5.9
22 2 2 8 32.842 65.683 1.64933 108.3 9.8 9.5 5.9
23 7 5 1 33.608 67.215 1.616 350.6 31.7 30.6 5.9
24 6 6 2 33.861 67.722 1.60534 218.3 19.7 19.0 5.9
25 7 5 3 35.611 71.221 1.53615 17.0 1.5 1.5 5.9
26 8 4 2 35.857 71.715 1.52698 38.3 3.5 3.3 5.9
27 1 3 9 37.567 75.134 1.46707 101.8 9.2 8.7 6.0
28 4 4 8 38.771 77.543 1.42836 163.1 14.7 13.9 6.0
29 7 7 1 39.489 78.977 1.40655 46.1 4.2 3.9 6.0
30 10 2 0 40.676 81.353 1.37232 16.9 1.5 1.4 6.1
31 1 5 9 41.385 82.771 1.35295 167.5 15.1 14.1 6.1
32 6 6 6 41.621 83.242 1.34667 34.8 3.2 2.9 6.1
33 9 5 3 43.266 86.532 1.30504 14.3 1.3 1.2 6.1
34 4 6 8 43.501 87.001 1.2994 12.8 1.2 1.1 6.1
35 10 4 2 44.437 88.875 1.27756 14.8 1.3 1.2 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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