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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SENAITE
2, t-crichtonite, s-senaite, at 130'K, DF
Pb(0.5)U(0.5)(Ti,Fe)(18)Fe(2)O(38)
Hexagonal R 3(-) Z = 3
R3(-)
14 .6 .17
Ref.Str.:
Armbruster T., Kunz M. (1990)
* Eur. J. Mineral., 163-170
L: $Pb0.508 U0.466 Fe8.558 Ti10.944 O38$
R: Locality – Pizzo Cervandone, Italy. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.439 alpha = 90.0
b = 10.439 beta = 90.0
c = 21.091 gamma = 120.0
Unit cell volume (cub. angs.) = 1990.42
Molar volume ( cub.cm/mol.) = 399.64
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0134 0.0 Pb = 0.25, Pb = 0.0
2 0.0 0.0 0.5 0.0 U = 0.47, U = 0.0
3 0.0 0.0 0.3102 0.0 Fe = 0.67, Fe = 0.0
4 0.1843 0.1438 0.1656 0.0 Fe = 0.78, Fe = 0.0
5 0.9158 0.2446 0.392 0.0 Ti = 0.93, Ti = 0.0
6 0.0766 0.7584 0.3984 0.0 Ti = 0.9 , Ti = 0.0
7 0.0 0.0 0.3904 0.0 Fe = 0.09, Fe = 0.0
8 0.0 0.0 0.3643 0.0 Fe = 0.09, Fe = 0.0
9 0.1099 0.3664 0.166 0.0 Fe = 0.12, Fe = 0.0
10 0.176 0.1189 0.0564 0.0 Fe = 0.13, Fe = 0.0
11 0.1774 0.127 0.2732 0.0 Fe = 0.11, Fe = 0.0
12 0.8689 0.055 0.4381 0.0 O = 1.00
13 0.3583 0.257 0.5584 0.0 O = 1.00
14 0.5926 0.5605 0.5507 0.0 O = 1.00
15 0.0522 0.1974 0.3352 0.0 O = 1.00
16 0.3645 0.2667 0.3396 0.0 O = 1.00
17 0.0 0.0 0.2142 0.0 O = 1.00
18 0.7124 0.5075 0.4443 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0134
2 2 0.0 0.0 0.5
3 3 0.0 0.0 0.3102
4 4 0.1843 0.1438 0.1656
5 5 0.9158 0.2446 0.392
6 6 0.0766 0.7584 0.3984
7 7 0.0 0.0 0.3904
8 8 0.0 0.0 0.3643
9 9 0.1099 0.3664 0.166
10 10 0.176 0.1189 0.0564
11 11 0.1774 0.127 0.2732
12 12 0.8689 0.055 0.4381
13 13 0.3583 0.257 0.5584
14 14 0.5926 0.5605 0.5507
15 15 0.0522 0.1974 0.3352
16 16 0.3645 0.2667 0.3396
17 17 0.0 0.0 0.2142
18 18 0.7124 0.5075 0.4443
19 4 0.8562 0.0405 0.1656
20 4 0.9595 0.8157 0.1656
21 5 0.7554 0.6712 0.392
22 5 0.3288 0.0842 0.392
23 6 0.2416 0.3182 0.3984
24 6 0.6818 0.9234 0.3984
25 9 0.6336 0.7435 0.166
26 9 0.2565 0.8901 0.166
27 10 0.8811 0.0571 0.0564
28 10 0.9429 0.824 0.0564
29 11 0.873 0.0504 0.2732
30 11 0.9496 0.8226 0.2732
31 12 0.945 0.8139 0.4381
32 12 0.1861 0.1311 0.4381
33 13 0.743 0.1013 0.5584
34 13 0.8987 0.6417 0.5584
35 14 0.4395 0.0321 0.5507
36 14 0.9679 0.4074 0.5507
37 15 0.8026 0.8548 0.3352
38 15 0.1452 0.9478 0.3352
39 16 0.7333 0.0978 0.3396
40 16 0.9022 0.6355 0.3396
41 18 0.4925 0.2049 0.4443
42 18 0.7951 0.2876 0.4443
43 1 0.6667 0.3333 0.3467
44 1 0.3333 0.6667 0.6801
45 2 0.6667 0.3333 0.8333
46 2 0.3333 0.6667 0.1667
47 3 0.6667 0.3333 0.6435
48 3 0.3333 0.6667 0.9769
49 4 0.5229 0.3738 0.4989
50 4 0.2928 0.4824 0.8323
51 5 0.4221 0.0045 0.7253
52 5 0.6621 0.7509 0.0587
53 6 0.9083 0.6515 0.7317
54 6 0.0151 0.5901 0.0651
55 7 0.6667 0.3333 0.7237
56 7 0.3333 0.6667 0.0571
57 8 0.6667 0.3333 0.6976
58 8 0.3333 0.6667 0.031
59 9 0.3003 0.0768 0.4993
60 9 0.5898 0.5568 0.8327
61 10 0.5478 0.3904 0.3897
62 10 0.2762 0.4907 0.7231
63 11 0.5397 0.3837 0.6065
64 11 0.2829 0.4893 0.9399
65 12 0.6117 0.1472 0.7714
66 12 0.5194 0.7978 0.1048
67 13 0.4097 0.4346 0.8917
68 13 0.232 0.3084 0.2251
69 14 0.1062 0.3654 0.884
70 14 0.3012 0.0741 0.2174
71 15 0.4693 0.1881 0.6685
72 15 0.4785 0.6145 0.0019
73 16 0.4 0.4311 0.6729
74 16 0.2355 0.3022 0.0063
75 17 0.6667 0.3333 0.5475
76 17 0.3333 0.6667 0.8809
77 18 0.1592 0.5382 0.7776
78 18 0.1284 0.9543 0.111
79 4 0.6262 0.149 0.4989
80 4 0.5176 0.8105 0.8323
81 4 0.851 0.4771 0.4989
82 4 0.1895 0.7071 0.8323
83 5 0.9955 0.4175 0.7253
84 5 0.2491 0.9113 0.0587
85 5 0.5825 0.5779 0.7253
86 5 0.0887 0.3378 0.0587
87 6 0.3485 0.2567 0.7317
88 6 0.4099 0.4251 0.0651
89 6 0.7433 0.0917 0.7317
90 6 0.5749 0.9849 0.0651
91 9 0.9232 0.2234 0.4993
92 9 0.4432 0.0331 0.8327
93 9 0.7766 0.6997 0.4993
94 9 0.9669 0.4101 0.8327
95 10 0.6096 0.1573 0.3897
96 10 0.5093 0.7856 0.7231
97 10 0.8427 0.4522 0.3897
98 10 0.2144 0.7237 0.7231
99 11 0.6163 0.1559 0.6065
100 11 0.5107 0.7937 0.9399
101 11 0.8441 0.4603 0.6065
102 11 0.2063 0.717 0.9399
103 12 0.8528 0.4644 0.7714
104 12 0.2022 0.7217 0.1048
105 12 0.5356 0.3883 0.7714
106 12 0.2783 0.4805 0.1048
107 13 0.5654 0.975 0.8917
108 13 0.6916 0.9237 0.2251
109 13 0.025 0.5903 0.8917
110 13 0.0763 0.768 0.2251
111 14 0.6346 0.7407 0.884
112 14 0.9259 0.2272 0.2174
113 14 0.2593 0.8938 0.884
114 14 0.7728 0.6988 0.2174
115 15 0.8119 0.2811 0.6685
116 15 0.3855 0.8641 0.0019
117 15 0.7189 0.5307 0.6685
118 15 0.1359 0.5214 0.0019
119 16 0.5689 0.9688 0.6729
120 16 0.6978 0.9334 0.0063
121 16 0.0312 0.6 0.6729
122 16 0.0666 0.7644 0.0063
123 18 0.4618 0.6209 0.7776
124 18 0.0457 0.1742 0.111
125 18 0.3791 0.8408 0.7776
126 18 0.8258 0.8715 0.111
127 1 0.0 0.0 0.9866
128 3 0.0 0.0 0.6898
129 4 0.8157 0.8562 0.8344
130 5 0.0842 0.7554 0.608
131 6 0.9234 0.2416 0.6016
132 7 0.0 0.0 0.6096
133 8 0.0 0.0 0.6357
134 9 0.8901 0.6336 0.834
135 10 0.824 0.8811 0.9436
136 11 0.8226 0.873 0.7268
137 12 0.1311 0.945 0.5619
138 13 0.6417 0.743 0.4416
139 14 0.4074 0.4395 0.4493
140 15 0.9478 0.8026 0.6648
141 16 0.6355 0.7333 0.6604
142 17 0.0 0.0 0.7858
143 18 0.2876 0.4925 0.5557
144 4 0.1438 0.9595 0.8344
145 4 0.0405 0.1843 0.8344
146 5 0.2446 0.3288 0.608
147 5 0.6712 0.9158 0.608
148 6 0.7584 0.6818 0.6016
149 6 0.3182 0.0766 0.6016
150 9 0.3664 0.2565 0.834
151 9 0.7435 0.1099 0.834
152 10 0.1189 0.9429 0.9436
153 10 0.0571 0.176 0.9436
154 11 0.127 0.9496 0.7268
155 11 0.0504 0.1774 0.7268
156 12 0.055 0.1861 0.5619
157 12 0.8139 0.8689 0.5619
158 13 0.257 0.8987 0.4416
159 13 0.1013 0.3583 0.4416
160 14 0.5605 0.9679 0.4493
161 14 0.0321 0.5926 0.4493
162 15 0.1974 0.1452 0.6648
163 15 0.8548 0.0522 0.6648
164 16 0.2667 0.9022 0.6604
165 16 0.0978 0.3645 0.6604
166 18 0.5075 0.7951 0.5557
167 18 0.2049 0.7124 0.5557
168 1 0.3333 0.6667 0.6533
169 1 0.6667 0.3333 0.3199
170 3 0.3333 0.6667 0.3565
171 3 0.6667 0.3333 0.0231
172 4 0.4771 0.6262 0.5011
173 4 0.7072 0.5176 0.1677
174 5 0.5779 0.9955 0.2747
175 5 0.3379 0.2491 0.9413
176 6 0.0917 0.3485 0.2683
177 6 0.9849 0.4099 0.9349
178 7 0.3333 0.6667 0.2763
179 7 0.6667 0.3333 0.9429
180 8 0.3333 0.6667 0.3024
181 8 0.6667 0.3333 0.969
182 9 0.6997 0.9232 0.5007
183 9 0.4102 0.4432 0.1673
184 10 0.4522 0.6096 0.6103
185 10 0.7238 0.5093 0.2769
186 11 0.4603 0.6163 0.3935
187 11 0.7171 0.5107 0.0601
188 12 0.3883 0.8528 0.2286
189 12 0.4806 0.2022 0.8952
190 13 0.5903 0.5654 0.1083
191 13 0.768 0.6916 0.7749
192 14 0.8938 0.6346 0.116
193 14 0.6988 0.9259 0.7826
194 15 0.5307 0.8119 0.3315
195 15 0.5215 0.3855 0.9981
196 16 0.6 0.5689 0.3271
197 16 0.7645 0.6978 0.9937
198 17 0.3333 0.6667 0.4525
199 17 0.6667 0.3333 0.1191
200 18 0.8408 0.4618 0.2224
201 18 0.8716 0.0457 0.889
202 4 0.3738 0.851 0.5011
203 4 0.4824 0.1895 0.1677
204 4 0.149 0.5229 0.5011
205 4 0.8105 0.2929 0.1677
206 5 0.0045 0.5825 0.2747
207 5 0.7509 0.0887 0.9413
208 5 0.4175 0.4221 0.2747
209 5 0.9113 0.6622 0.9413
210 6 0.6515 0.7433 0.2683
211 6 0.5901 0.5749 0.9349
212 6 0.2567 0.9083 0.2683
213 6 0.4251 0.0151 0.9349
214 9 0.0768 0.7766 0.5007
215 9 0.5568 0.9669 0.1673
216 9 0.2234 0.3003 0.5007
217 9 0.0331 0.5899 0.1673
218 10 0.3904 0.8427 0.6103
219 10 0.4907 0.2144 0.2769
220 10 0.1573 0.5478 0.6103
221 10 0.7856 0.2763 0.2769
222 11 0.3837 0.8441 0.3935
223 11 0.4893 0.2063 0.0601
224 11 0.1559 0.5397 0.3935
225 11 0.7937 0.283 0.0601
226 12 0.1472 0.5356 0.2286
227 12 0.7978 0.2783 0.8952
228 12 0.4644 0.6117 0.2286
229 12 0.7217 0.5195 0.8952
230 13 0.4346 0.025 0.1083
231 13 0.3084 0.0763 0.7749
232 13 0.975 0.4097 0.1083
233 13 0.9237 0.232 0.7749
234 14 0.3654 0.2593 0.116
235 14 0.0741 0.7728 0.7826
236 14 0.7407 0.1062 0.116
237 14 0.2272 0.3012 0.7826
238 15 0.1881 0.7189 0.3315
239 15 0.6145 0.1359 0.9981
240 15 0.2811 0.4693 0.3315
241 15 0.8641 0.4786 0.9981
242 16 0.4311 0.0312 0.3271
243 16 0.3022 0.0666 0.9937
244 16 0.9688 0.4 0.3271
245 16 0.9334 0.2356 0.9937
246 18 0.5382 0.3791 0.2224
247 18 0.9543 0.8258 0.889
248 18 0.6209 0.1592 0.2224
249 18 0.1742 0.1285 0.889
X-ray density (g/cm cub.) = 4.57
MU (1/cm) = 717.572 Mass attenuation coefficient (cm**2/g) = 157.04
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Pb 3.144 12
2.8743 16
2.6267 18
2.8745 16
2.8745 16
2.6266 18
2.6268 18
2.9002 16
3.0895 18
2.9004 16
2.9003 16
3.0895 18
3.0896 18
2 U ,U 2.88 6
2.1663 12
2.1664 12
2.1663 12
2.1663 12
2.1664 12
2.1663 12
3 Fe ,Fe 2.592 4
1.9231 15
2.0247 17
1.9231 15
1.9232 15
4 Fe ,Fe 2.592 6
2.0291 17
1.9789 13
2.0249 14
2.1045 18
1.9949 18
1.9608 14
5 Ti ,Ti 2.568 6
2.0331 12
2.0993 15
2.0688 16
1.8897 18
1.9885 13
1.9784 16
6 Ti ,Ti 2.568 6
1.9286 12
2.187 15
2.0402 16
1.94 13
1.8867 14
1.9998 15
7 Fe ,Fe 2.592 6
2.0001 12
2.1854 15
2.0002 12
2.0002 12
2.1854 15
2.1854 15
8 Fe ,Fe 2.592 6
2.3262 12
1.9486 15
2.3262 12
2.3262 12
1.9486 15
1.9487 15
9 Fe ,Fe 2.592 6
2.0776 13
2.0209 12
2.0453 14
2.1164 18
2.0793 12
2.0746 13
10 Fe ,Fe 2.592 5
1.9938 16
1.916 18
2.0715 18
2.1768 14
2.1208 16
11 Fe ,Fe 2.592 6
2.2178 15
2.2482 16
2.0689 17
2.1665 15
1.9649 13
2.0194 14
12 O 3.264 12
2.7815 15
2.9943 12
2.9943 12
3.0056 13
2.8479 15
2.6742 16
2.8942 18
2.9178 13
3.1315 12
3.1314 12
2.8695 13
2.8844 14
13 O 3.264 12
2.8805 14
3.0056 12
2.8718 14
2.9685 18
2.8437 15
2.9219 16
2.9128 17
2.9178 12
2.8654 14
2.8993 18
2.8696 12
2.6942 15
14 O 3.264 12
2.8805 13
2.7564 18
2.8718 13
3.1302 16
2.8389 17
2.9016 15
2.8654 13
2.7322 14
2.8284 16
2.8969 18
2.8844 12
2.9957 18
15 O 3.264 12
2.7815 12
2.9668 16
3.1517 17
2.8479 12
3.2034 15
3.2034 15
2.9514 16
2.8438 13
2.9019 14
2.6942 13
2.6437 15
2.6642 16
16 O 3.264 11
2.9668 15
2.6742 12
2.9514 15
2.8178 18
2.9221 13
3.1303 14
2.8284 14
2.8826 16
2.6642 15
2.8826 16
2.9412 18
17 O 3.264 12
3.1517 15
3.1517 15
3.1517 15
2.9128 13
2.8389 14
2.7215 18
2.9129 13
2.9129 13
2.8389 14
2.839 14
2.7215 18
2.7216 18
18 O 3.264 11
2.7564 14
2.8942 12
2.9684 13
2.8178 16
2.8279 18
2.8279 18
2.7214 17
2.8993 13
2.8969 14
2.9955 14
2.9412 16
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 0 1 6.18 12.359 0.06 169.63 6 4.7 0.6
2 0 0 3 7.309 14.619 0.071 120.6 2 0.9 0.0
3 1 0 -2 7.488 14.976 0.073 114.81 6 73.0 92.6
4 1 1 0 9.867 19.735 0.096 65.18 6 123.6 150.9
5 1 0 4 11.326 22.651 0.11 48.97 6 6.6 0.3
6 2 0 -1 11.676 23.352 0.113 45.95 6 42.0 12.3
7 1 1 -3 12.324 24.647 0.119 41.03 6 73.7 33.8
8 1 1 3 12.324 24.647 0.119 41.03 6 53.0 17.4
9 2 0 2 12.433 24.865 0.12 40.28 6 143.8 126.1
10 1 0 -5 13.532 27.065 0.131 33.68 6 108.1 59.6
11 0 0 6 14.741 29.483 0.142 28.07 2 140.4 27.9
12 2 0 -4 15.108 30.216 0.146 26.63 6 403.0 655.2
13 1 2 -1 15.378 30.756 0.148 25.64 6 8.7 0.3
14 2 1 1 15.378 30.756 0.148 25.64 6 88.4 30.3
15 1 2 2 15.972 31.944 0.154 23.63 6 168.8 101.9
16 2 1 -2 15.972 31.944 0.154 23.63 6 69.0 17.0
17 2 0 5 16.86 33.72 0.162 21.02 6 363.4 420.4
18 3 0 0 17.267 34.533 0.166 19.95 6 345.9 361.6
19 1 1 -6 17.865 35.731 0.171 18.52 6 426.2 509.5
20 1 1 6 17.865 35.731 0.171 18.52 6 381.6 408.4
21 1 2 -4 18.176 36.351 0.174 17.83 6 434.2 509.1
22 2 1 4 18.176 36.351 0.174 17.83 6 102.2 28.2
23 1 0 7 18.235 36.471 0.175 17.71 6 94.0 23.7
24 3 0 -3 18.841 37.681 0.181 16.48 6 219.5 120.2
25 3 0 3 18.841 37.681 0.181 16.48 6 211.4 111.6
26 1 2 5 19.687 39.374 0.188 14.95 6 309.3 216.6
27 2 1 -5 19.687 39.374 0.188 14.95 6 149.9 50.9
28 2 2 0 20.044 40.088 0.192 14.37 6 251.9 138.1
29 1 0 -8 20.696 41.392 0.198 13.38 6 41.8 3.5
30 2 0 -7 20.902 41.804 0.199 13.08 6 47.6 4.5
31 1 3 1 21.054 42.108 0.201 12.87 6 95.2 17.7
32 3 1 -1 21.054 42.108 0.201 12.87 6 559.9 611.1
33 2 2 -3 21.444 42.888 0.204 12.35 6 178.5 59.6
34 2 2 3 21.444 42.888 0.204 12.35 6 180.0 60.6
35 1 3 -2 21.511 43.022 0.205 12.27 6 107.7 21.5
36 3 1 2 21.511 43.022 0.205 12.27 6 396.2 291.6
37 0 0 9 22.438 44.876 0.213 11.16 2 303.1 51.7
38 3 0 -6 23.014 46.029 0.219 10.53 6 77.2 9.5
39 3 0 6 23.014 46.029 0.219 10.53 6 60.5 5.8
40 2 0 8 23.127 46.253 0.22 10.42 6 56.0 5.0
41 1 3 4 23.267 46.534 0.221 10.28 6 330.5 170.0
42 3 1 -4 23.267 46.534 0.221 10.28 6 485.2 366.5
43 1 2 -7 23.316 46.631 0.221 10.23 6 90.4 12.7
44 2 1 7 23.316 46.631 0.221 10.23 6 76.8 9.1
45 4 0 1 23.455 46.91 0.222 10.09 6 21.1 0.7
46 4 0 -2 23.875 47.751 0.226 9.69 6 73.5 7.9
47 1 3 -5 24.519 49.038 0.232 9.12 6 202.2 56.5
48 3 1 5 24.519 49.038 0.232 9.12 6 655.8 594.4
49 1 1 -9 24.733 49.466 0.234 8.95 6 98.6 13.2
50 1 1 9 24.733 49.466 0.234 8.95 6 75.0 7.6
51 2 2 -6 25.269 50.538 0.239 8.52 6 83.6 9.0
52 2 2 6 25.269 50.538 0.239 8.52 6 99.3 12.7
53 1 2 8 25.374 50.748 0.24 8.44 6 176.0 39.6
54 2 1 -8 25.374 50.748 0.24 8.44 6 8.0 0.1
55 4 0 4 25.505 51.009 0.241 8.34 6 108.3 14.8
56 2 3 -1 25.68 51.361 0.242 8.21 6 0.4 0.0
57 3 2 1 25.68 51.361 0.242 8.21 6 17.7 0.4
58 1 0 10 25.816 51.632 0.243 8.11 6 160.5 31.7
59 2 3 2 26.074 52.148 0.246 7.93 6 168.9 34.3
60 3 2 -2 26.074 52.148 0.246 7.93 6 34.1 1.4
61 4 0 -5 26.679 53.357 0.251 7.53 6 20.8 0.5
62 1 4 0 26.962 53.924 0.253 7.35 6 284.2 89.9
63 4 1 0 26.962 53.924 0.253 7.35 6 197.4 43.4
64 2 3 -4 27.609 55.218 0.259 6.96 6 331.2 115.7
65 3 2 4 27.609 55.218 0.259 6.96 6 150.3 23.8
66 1 3 7 27.652 55.304 0.259 6.94 6 51.0 2.7
67 3 1 -7 27.652 55.304 0.259 6.94 6 407.4 174.5
68 2 0 -10 27.904 55.808 0.262 6.8 6 196.6 39.8
69 1 4 -3 28.094 56.187 0.263 6.69 6 17.6 0.3
70 1 4 3 28.094 56.187 0.263 6.69 6 66.7 4.5
71 4 1 -3 28.094 56.187 0.263 6.69 6 67.8 4.7
72 4 1 3 28.094 56.187 0.263 6.69 6 114.1 13.2
73 1 0 -11 28.482 56.964 0.267 6.49 6 94.4 8.8
74 2 3 5 28.723 57.447 0.269 6.37 6 325.6 102.2
75 3 2 -5 28.723 57.447 0.269 6.37 6 47.1 2.1
76 3 0 -9 28.915 57.83 0.27 6.27 6 32.1 1.0
77 3 0 9 28.915 57.83 0.27 6.27 6 57.7 3.2
78 1 3 -8 29.492 58.985 0.275 6.0 6 7.2 0.0
79 3 1 8 29.492 58.985 0.275 6.0 6 889.6 718.9
80 4 0 7 29.652 59.304 0.277 5.93 6 63.4 3.6
81 5 0 -1 29.77 59.539 0.278 5.87 6 83.6 6.2
82 1 2 -10 29.893 59.786 0.279 5.82 6 113.4 11.3
83 2 1 10 29.893 59.786 0.279 5.82 6 299.5 79.1
84 5 0 2 30.127 60.254 0.281 5.72 6 25.4 0.6
85 2 0 11 30.447 60.894 0.283 5.59 6 7.5 0.0
86 0 0 12 30.592 61.183 0.284 5.53 2 353.7 34.9
87 2 2 -9 30.863 61.726 0.287 5.42 6 6.3 0.0
88 2 2 9 30.863 61.726 0.287 5.42 6 0.1 0.0
89 3 3 0 30.938 61.876 0.287 5.39 6 134.7 14.8
90 1 4 -6 31.327 62.654 0.291 5.24 6 387.0 119.0
91 1 4 6 31.327 62.654 0.291 5.24 6 398.8 126.3
92 4 1 -6 31.327 62.654 0.291 5.24 6 164.7 21.5
93 4 1 6 31.327 62.654 0.291 5.24 6 246.3 48.2
94 4 0 -8 31.418 62.836 0.291 5.21 6 3.4 0.0
95 5 0 -4 31.532 63.064 0.292 5.17 6 247.7 48.0
96 2 3 -7 31.572 63.144 0.293 5.16 6 115.7 10.4
97 3 2 7 31.572 63.144 0.293 5.16 6 74.1 4.3
98 2 4 1 31.685 63.371 0.294 5.12 6 143.4 15.9
99 4 2 -1 31.685 63.371 0.294 5.12 6 27.9 0.6
100 3 3 -3 31.979 63.959 0.296 5.01 6 36.8 1.0
101 3 3 3 31.979 63.959 0.296 5.01 6 12.9 0.1
102 2 4 -2 32.03 64.061 0.296 5.0 6 80.9 5.0
103 4 2 2 32.03 64.061 0.296 5.0 6 59.4 2.7
104 1 2 11 32.339 64.678 0.299 4.89 6 89.4 5.9
105 2 1 -11 32.339 64.678 0.299 4.89 6 51.0 1.9
106 1 1 -12 32.479 64.958 0.3 4.85 6 130.4 12.5
107 1 1 12 32.479 64.958 0.3 4.85 6 133.2 13.0
108 5 0 5 32.563 65.126 0.301 4.82 6 295.6 63.8
109 2 3 8 33.28 66.559 0.307 4.6 6 6.6 0.0
110 3 2 -8 33.28 66.559 0.307 4.6 6 9.0 0.1
111 2 4 4 33.39 66.78 0.308 4.57 6 116.2 9.3
112 4 2 -4 33.39 66.78 0.308 4.57 6 276.0 52.7
113 1 5 -1 33.539 67.078 0.309 4.53 6 88.2 5.3
114 5 1 1 33.539 67.078 0.309 4.53 6 7.1 0.0
115 1 3 10 33.654 67.309 0.31 4.49 6 54.4 2.0
116 3 1 -10 33.654 67.309 0.31 4.49 6 1087.8 805.3
117 1 5 2 33.874 67.748 0.312 4.43 6 37.6 0.9
118 5 1 -2 33.874 67.748 0.312 4.43 6 172.2 19.9
119 1 0 13 34.065 68.13 0.313 4.38 6 42.6 1.2
120 2 4 -5 34.392 68.784 0.316 4.3 6 217.2 30.7
121 4 2 5 34.392 68.784 0.316 4.3 6 203.5 26.9
122 3 3 -6 35.004 70.008 0.321 4.14 6 322.3 65.2
123 3 3 6 35.004 70.008 0.321 4.14 6 282.0 49.9
124 1 5 -4 35.198 70.396 0.322 4.1 6 85.8 4.6
125 5 1 4 35.198 70.396 0.322 4.1 6 301.8 56.5
126 5 0 -7 35.235 70.471 0.323 4.09 6 9.9 0.1
127 4 0 10 35.456 70.911 0.324 4.04 6 202.2 25.0
128 2 0 -13 35.857 71.713 0.327 3.95 6 40.4 1.0
129 1 3 -11 35.963 71.927 0.328 3.93 6 46.1 1.3
130 3 1 11 35.963 71.927 0.328 3.93 6 716.1 305.0
131 3 0 -12 36.097 72.193 0.329 3.9 6 12.1 0.1
132 3 0 12 36.097 72.193 0.329 3.9 6 16.6 0.2
133 1 5 5 36.177 72.353 0.33 3.88 6 161.0 15.2
134 5 1 -5 36.177 72.353 0.33 3.88 6 139.2 11.4
135 1 4 -9 36.347 72.693 0.331 3.85 6 1.4 0.0
136 1 4 9 36.347 72.693 0.331 3.85 6 8.8 0.0
137 4 1 -9 36.347 72.693 0.331 3.85 6 74.7 3.3
138 4 1 9 36.347 72.693 0.331 3.85 6 73.9 3.2
139 6 0 0 36.416 72.831 0.332 3.83 6 216.6 27.2
140 5 0 8 36.86 73.72 0.335 3.75 6 29.8 0.5
141 2 4 7 37.003 74.005 0.336 3.72 6 118.6 7.9
142 4 2 -7 37.003 74.005 0.336 3.72 6 51.5 1.5
143 1 0 -14 37.008 74.015 0.336 3.72 6 4.6 0.0
144 3 4 -1 37.108 74.216 0.337 3.7 6 16.0 0.1
145 4 3 1 37.108 74.216 0.337 3.7 6 45.5 1.2
146 2 3 -10 37.218 74.437 0.338 3.68 6 140.0 10.9
147 3 2 10 37.218 74.437 0.338 3.68 6 185.8 19.2
148 6 0 -3 37.382 74.763 0.339 3.65 6 27.8 0.4
149 6 0 3 37.382 74.763 0.339 3.65 6 161.7 14.5
150 3 4 2 37.429 74.858 0.34 3.64 6 65.0 2.3
151 4 3 -2 37.429 74.858 0.34 3.64 6 264.6 38.6
152 1 2 -13 37.612 75.224 0.341 3.61 6 207.3 23.5
153 2 1 13 37.612 75.224 0.341 3.61 6 179.7 17.7
154 4 0 -11 37.717 75.434 0.342 3.59 6 3.6 0.0
155 2 2 -12 37.848 75.696 0.343 3.57 6 20.3 0.2
156 2 2 12 37.848 75.696 0.343 3.57 6 10.8 0.1
157 2 5 0 38.161 76.323 0.345 3.52 6 1290.8 887.6
158 5 2 0 38.161 76.323 0.345 3.52 6 331.9 58.7
159 2 4 -8 38.599 77.197 0.349 3.45 6 121.5 7.7
160 4 2 8 38.599 77.197 0.349 3.45 6 55.8 1.6
161 3 4 -4 38.703 77.405 0.35 3.43 6 53.6 1.5
162 4 3 4 38.703 77.405 0.35 3.43 6 362.5 68.3
163 1 5 -7 38.739 77.478 0.35 3.43 6 114.9 6.9
164 5 1 7 38.739 77.478 0.35 3.43 6 36.1 0.7
165 2 0 14 38.744 77.488 0.35 3.43 6 261.7 35.5
166 2 5 -3 39.112 78.225 0.353 3.37 6 12.2 0.1
167 2 5 3 39.112 78.225 0.353 3.37 6 19.2 0.2
168 5 2 -3 39.112 78.225 0.353 3.37 6 196.4 19.7
169 5 2 3 39.112 78.225 0.353 3.37 6 210.7 22.7
170 2 3 11 39.443 78.886 0.355 3.33 6 75.6 2.9
171 3 2 -11 39.443 78.886 0.355 3.33 6 42.6 0.9
172 0 0 15 39.505 79.01 0.356 3.32 2 16.9 0.0
173 3 4 5 39.65 79.299 0.357 3.3 6 87.8 3.9
174 4 3 -5 39.65 79.299 0.357 3.3 6 260.2 33.8
175 3 3 -9 39.815 79.629 0.358 3.28 6 101.0 5.1
176 3 3 9 39.815 79.629 0.358 3.28 6 72.7 2.6
177 6 0 -6 40.231 80.463 0.361 3.23 6 388.4 73.7
178 6 0 6 40.231 80.463 0.361 3.23 6 351.0 60.2
179 1 5 8 40.314 80.627 0.362 3.22 6 85.8 3.6
180 5 1 -8 40.314 80.627 0.362 3.22 6 135.4 8.9
181 1 2 14 40.457 80.914 0.363 3.2 6 244.8 29.0
182 2 1 -14 40.457 80.914 0.363 3.2 6 132.8 8.5
183 1 6 1 40.555 81.11 0.363 3.19 6 53.9 1.4
184 6 1 -1 40.555 81.11 0.363 3.19 6 52.5 1.3
185 5 0 -10 40.662 81.325 0.364 3.18 6 93.3 4.2
186 1 6 -2 40.868 81.735 0.366 3.15 6 59.6 1.7
187 6 1 2 40.868 81.735 0.366 3.15 6 117.5 6.6
188 1 3 13 41.046 82.093 0.367 3.13 6 136.1 8.8
189 3 1 -13 41.046 82.093 0.367 3.13 6 363.8 62.8
190 1 1 -15 41.21 82.42 0.368 3.12 6 327.0 50.5
191 1 1 15 41.21 82.42 0.368 3.12 6 171.7 13.9
192 2 5 -6 41.93 83.86 0.374 3.04 6 129.0 7.7
193 2 5 6 41.93 83.86 0.374 3.04 6 123.0 7.0
194 5 2 -6 41.93 83.86 0.374 3.04 6 43.6 0.9
195 5 2 6 41.93 83.86 0.374 3.04 6 3.6 0.0
196 1 6 4 42.114 84.227 0.375 3.03 6 95.1 4.1
197 6 1 -4 42.114 84.227 0.375 3.03 6 33.4 0.5
198 3 4 -7 42.149 84.298 0.375 3.02 6 109.9 5.5
199 4 3 7 42.149 84.298 0.375 3.02 6 135.8 8.4
200 2 4 10 42.358 84.716 0.377 3.01 6 246.7 27.7
201 4 2 -10 42.358 84.716 0.377 3.01 6 3.3 0.0
202 4 0 13 42.739 85.479 0.379 2.97 6 79.0 2.8
203 5 0 11 42.841 85.682 0.38 2.97 6 36.0 0.6
204 1 4 -12 42.968 85.936 0.381 2.96 6 191.3 16.4
205 1 4 12 42.968 85.936 0.381 2.96 6 199.4 17.8
206 4 1 -12 42.968 85.936 0.381 2.96 6 93.1 3.9
207 4 1 12 42.968 85.936 0.381 2.96 6 27.4 0.3
208 1 6 -5 43.044 86.089 0.382 2.95 6 5.7 0.0
209 6 1 5 43.044 86.089 0.382 2.95 6 132.9 7.9
210 4 4 0 43.273 86.546 0.383 2.93 6 29.2 0.4
211 1 0 16 43.293 86.586 0.383 2.93 6 76.3 2.6
212 3 4 8 43.699 87.398 0.386 2.9 6 77.9 2.7
213 4 3 -8 43.699 87.398 0.386 2.9 6 107.2 5.1
214 1 3 -14 43.841 87.682 0.387 2.89 6 163.1 11.7
215 3 1 14 43.841 87.682 0.387 2.89 6 181.6 14.5
216 3 5 1 43.938 87.875 0.388 2.89 6 72.4 2.3
217 5 3 -1 43.938 87.875 0.388 2.89 6 9.5 0.0
218 7 0 1 43.938 87.875 0.388 2.89 6 94.8 3.9
219 1 5 -10 44.044 88.088 0.389 2.88 6 168.9 12.4
220 5 1 10 44.044 88.088 0.389 2.88 6 105.4 4.8
221 4 4 -3 44.201 88.403 0.39 2.87 6 9.4 0.0
222 4 4 3 44.201 88.403 0.39 2.87 6 40.4 0.7
223 3 5 -2 44.247 88.494 0.39 2.87 6 89.9 3.5
224 5 3 2 44.247 88.494 0.39 2.87 6 60.3 1.6
225 7 0 -2 44.247 88.494 0.39 2.87 6 19.6 0.2
226 2 3 -13 44.424 88.848 0.391 2.86 6 48.7 1.0
227 3 2 13 44.424 88.848 0.391 2.86 6 44.3 0.8
228 2 4 -11 44.526 89.051 0.392 2.85 6 108.4 5.1
229 4 2 11 44.526 89.051 0.392 2.85 6 44.9 0.9
230 3 0 -15 44.586 89.173 0.392 2.85 6 62.3 1.7
231 3 0 15 44.586 89.173 0.392 2.85 6 72.5 2.3
232 6 0 -9 44.891 89.781 0.395 2.83 6 14.8 0.1
233 6 0 9 44.891 89.781 0.395 2.83 6 1.7 0.0
234 2 0 -16 44.977 89.953 0.395 2.83 6 212.2 19.3
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 0 2 7.488 14.976 6.86355 92.6 9.8 10.5 5.6
2 1 1 0 9.867 19.735 5.2195 150.9 15.9 17.1 5.6
3 2 0 1 11.676 23.352 4.41985 12.3 1.3 1.4 5.6
4 1 1 3 12.324 24.647 4.19079 51.2 5.4 5.8 5.6
5 2 0 2 12.433 24.865 4.15463 126.1 13.3 14.2 5.6
6 1 0 5 13.532 27.065 3.82257 59.6 6.3 6.7 5.6
7 0 0 6 14.741 29.483 3.51517 27.9 3.0 3.1 5.6
8 2 0 4 15.108 30.216 3.43178 655.2 69.2 73.7 5.6
9 2 1 1 15.378 30.756 3.37299 30.3 3.2 3.4 5.6
10 1 2 2 15.972 31.944 3.25058 119.0 12.6 13.4 5.6
11 2 0 5 16.86 33.72 3.08397 420.4 44.4 47.1 5.7
12 3 0 0 17.267 34.533 3.01348 361.6 38.2 40.5 5.7
13 1 1 6 17.865 35.731 2.91561 917.9 97.0 102.7 5.7
14 1 2 4 18.176 36.351 2.86749 537.4 56.8 60.1 5.7
15 1 0 7 18.235 36.471 2.85843 23.7 2.5 2.6 5.7
16 3 0 3 18.841 37.681 2.76976 231.8 24.5 25.9 5.7
17 1 2 5 19.687 39.374 2.65513 267.5 28.3 29.8 5.7
18 2 2 0 20.044 40.088 2.60975 138.1 14.6 15.4 5.7
19 3 1 1 21.054 42.108 2.48983 628.7 66.4 69.9 5.7
20 2 2 3 21.444 42.888 2.44662 120.2 12.7 13.4 5.7
21 3 1 2 21.511 43.022 2.43936 313.1 33.1 34.8 5.7
22 0 0 9 22.438 44.876 2.34344 51.7 5.5 5.7 5.7
23 3 0 6 23.014 46.029 2.28785 15.4 1.6 1.7 5.7
24 3 1 4 23.267 46.534 2.26438 536.5 56.7 59.4 5.7
25 1 2 7 23.316 46.631 2.25991 21.8 2.3 2.4 5.7
26 3 1 5 24.519 49.038 2.15534 650.9 68.8 71.8 5.7
27 1 1 9 24.733 49.466 2.13785 20.8 2.2 2.3 5.7
28 2 2 6 25.269 50.538 2.09539 21.7 2.3 2.4 5.8
29 1 2 8 25.374 50.748 2.08731 39.7 4.2 4.4 5.8
30 4 0 4 25.505 51.009 2.07732 14.8 1.6 1.6 5.8
31 1 0 10 25.816 51.632 2.05395 31.7 3.3 3.5 5.8
32 2 3 2 26.074 52.148 2.03503 35.7 3.8 3.9 5.8
33 1 4 0 26.962 53.924 1.97279 133.3 14.1 14.6 5.8
34 2 3 4 27.609 55.218 1.93007 139.5 14.7 15.3 5.8
35 3 1 7 27.652 55.304 1.9273 177.2 18.7 19.4 5.8
36 2 0 10 27.904 55.808 1.91129 39.8 4.2 4.4 5.8
37 4 1 3 28.094 56.187 1.89942 22.4 2.4 2.4 5.8
38 2 3 5 28.723 57.447 1.86121 104.3 11.0 11.4 5.8
39 3 1 8 29.492 58.985 1.81687 718.9 76.0 78.3 5.8
40 2 1 10 29.893 59.786 1.79474 90.4 9.6 9.8 5.8
41 0 0 12 30.592 61.183 1.75758 34.9 3.7 3.8 5.8
42 3 3 0 30.938 61.876 1.73983 14.8 1.6 1.6 5.8
43 1 4 6 31.327 62.654 1.72037 315.0 33.3 34.1 5.8
44 5 0 4 31.532 63.064 1.71032 48.0 5.1 5.2 5.9
45 2 3 7 31.572 63.144 1.70839 14.7 1.6 1.6 5.9
46 2 4 1 31.685 63.371 1.7029 16.5 1.7 1.8 5.9
47 1 1 12 32.479 64.958 1.66568 25.5 2.7 2.8 5.9
48 5 0 5 32.563 65.126 1.66185 63.8 6.7 6.9 5.9
49 4 2 4 33.39 66.78 1.62529 62.0 6.6 6.7 5.9
50 3 1 10 33.654 67.309 1.61402 807.3 85.3 86.8 5.9
51 5 1 2 33.874 67.748 1.6048 19.9 2.1 2.1 5.9
52 2 4 5 34.392 68.784 1.58353 57.7 6.1 6.2 5.9
53 3 3 6 35.004 70.008 1.55929 115.1 12.2 12.3 5.9
54 5 1 4 35.198 70.396 1.5518 61.1 6.5 6.5 5.9
55 4 0 10 35.456 70.911 1.54198 25.0 2.6 2.7 5.9
56 3 1 11 35.963 71.927 1.52308 306.3 32.4 32.6 5.9
57 1 5 5 36.177 72.353 1.51532 26.6 2.8 2.8 5.9
58 6 0 0 36.416 72.831 1.50674 27.2 2.9 2.9 6.0
59 3 2 10 37.218 74.437 1.4788 30.2 3.2 3.2 6.0
60 6 0 3 37.382 74.763 1.47328 14.5 1.5 1.5 6.0
61 4 3 2 37.429 74.858 1.47169 40.9 4.3 4.3 6.0
62 1 2 13 37.612 75.224 1.46558 41.1 4.3 4.4 6.0
63 2 5 0 38.161 76.323 1.44763 946.3 100.0 100.0 6.0
64 4 3 4 38.703 77.405 1.4305 69.8 7.4 7.4 6.0
65 2 0 14 38.744 77.488 1.42921 43.1 4.6 4.5 6.0
66 5 2 3 39.112 78.225 1.41788 42.4 4.5 4.5 6.0
67 4 3 5 39.65 79.299 1.40177 37.7 4.0 4.0 6.0
68 6 0 6 40.231 80.463 1.38488 133.9 14.1 14.0 6.0
69 5 1 8 40.314 80.627 1.38254 12.5 1.3 1.3 6.1
70 1 2 14 40.457 80.914 1.37847 37.6 4.0 3.9 6.1
71 3 1 13 41.046 82.093 1.36211 71.6 7.6 7.5 6.1
72 1 1 15 41.21 82.42 1.35767 64.4 6.8 6.7 6.1
73 2 5 6 41.93 83.86 1.33856 15.5 1.6 1.6 6.1
74 4 3 7 42.149 84.298 1.3329 14.0 1.5 1.4 6.1
75 2 4 10 42.358 84.716 1.32757 27.7 2.9 2.9 6.1
76 1 4 12 42.968 85.936 1.31231 38.4 4.1 4.0 6.1
77 3 1 14 43.841 87.682 1.29134 26.1 2.8 2.7 6.2
78 1 5 10 44.044 88.088 1.2866 17.3 1.8 1.8 6.2
79 2 0 16 44.977 89.953 1.26548 19.3 2.0 2.0 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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