Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
FLUORVESUVIANITE
1, t-vesuvianite, DN
CaN)(19)(Al,Mg,Fe'')(13)[SiO(4)](10)[Si(2)O(7)](4)O(F,OH)(9)
Tetragonal * P4/nnc Z = 2
R =0.043 NR =1108
14 .2 .1905
Ref.Str.:
S.N. Britin, A.A. Antonov, S.V. Krivovichev, T. Armbruster
P.C. Burns, N.V. Chukanov (2003)
* Canad. Mineral., 41, 1371-1380
Reserv:
There are U(ij) in the article. The species from Lupikkoiron mine
Pitkaranta , Karelia, Russia. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.5295 alpha = 90.0
b = 15.5295 beta = 90.0
c = 11.7808 gamma = 90.0
Unit cell volume (cub. angs.) = 2841.12
Molar volume ( cub.cm/mol.) = 855.66
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.75 0.25 0.0 0.0 Si = 0.8 , Si = 0.0
2 0.8189 0.0407 0.8713 0.0 Si = 1.00
3 0.9177 0.8495 0.3646 0.0 Si = 1.00
4 0.75 0.25 0.25 0.0 Ca = 1.00
5 0.811 0.0435 0.3798 0.0 Ca = 1.00
6 0.8992 0.8202 0.8871 0.0 Ca = 1.00
7 0.75 0.75 0.1428 0.0 Ca = 0.5 , Ca = 0.0
8 0.75 0.75 0.05 0.0 Fe = 0.5 , Fe = 0.0
9 0.0 0.0 0.0 0.0 Al = 1.00
10 0.8881 0.1207 0.1269 0.0 Al = 0.78, Mg = 0.17, Fe = 0.05
11 0.7811 0.1714 0.0869 0.0 O = 1.00
12 0.8835 0.1594 0.2785 0.0 O = 1.00
13 0.9504 0.2782 0.4233 0.0 O = 1.00
14 0.1067 0.9373 0.0296 0.0 O = 1.00
15 0.8305 0.0148 0.1782 0.0 O = 1.00
16 0.8823 0.7288 0.059 0.0 O = 1.00
17 0.0564 0.175 0.3221 0.0 O = 1.00
18 0.0906 0.061 0.5661 0.0 O = 1.00
19 0.8554 0.8554 0.25 0.0 O = 1.00
20 0.75 0.75 0.8642 0.0 O = 1.00
21 0.9953 0.062 0.1374 0.0 F = 0.72, OH = 0.28
22 0.75 0.75 0.75 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.75 0.25 0.0
2 2 0.8189 0.0407 0.8713
3 3 0.9177 0.8495 0.3646
4 4 0.75 0.25 0.25
5 5 0.811 0.0435 0.3798
6 6 0.8992 0.8202 0.8871
7 7 0.75 0.75 0.1428
8 8 0.75 0.75 0.05
9 9 0.0 0.0 0.0
10 10 0.8881 0.1207 0.1269
11 11 0.7811 0.1714 0.0869
12 12 0.8835 0.1594 0.2785
13 13 0.9504 0.2782 0.4233
14 14 0.1067 0.9373 0.0296
15 15 0.8305 0.0148 0.1782
16 16 0.8823 0.7288 0.059
17 17 0.0564 0.175 0.3221
18 18 0.0906 0.061 0.5661
19 19 0.8554 0.8554 0.25
20 20 0.75 0.75 0.8642
21 21 0.9953 0.062 0.1374
22 22 0.75 0.75 0.75
23 1 0.25 0.75 0.0
24 2 0.4593 0.8189 0.8713
25 2 0.6811 0.4593 0.8713
26 2 0.0407 0.6811 0.8713
27 3 0.6505 0.9177 0.3646
28 3 0.5823 0.6505 0.3646
29 3 0.8495 0.5823 0.3646
30 4 0.25 0.75 0.25
31 5 0.4565 0.811 0.3798
32 5 0.689 0.4565 0.3798
33 5 0.0435 0.689 0.3798
34 6 0.6798 0.8992 0.8871
35 6 0.6008 0.6798 0.8871
36 6 0.8202 0.6008 0.8871
37 9 0.5 0.0 0.0
38 9 0.5 0.5 0.0
39 9 0.0 0.5 0.0
40 10 0.3793 0.8881 0.1269
41 10 0.6119 0.3793 0.1269
42 10 0.1207 0.6119 0.1269
43 11 0.3286 0.7811 0.0869
44 11 0.7189 0.3286 0.0869
45 11 0.1714 0.7189 0.0869
46 12 0.3406 0.8835 0.2785
47 12 0.6165 0.3406 0.2785
48 12 0.1594 0.6165 0.2785
49 13 0.2218 0.9504 0.4233
50 13 0.5496 0.2218 0.4233
51 13 0.2782 0.5496 0.4233
52 14 0.5627 0.1067 0.0296
53 14 0.3933 0.5627 0.0296
54 14 0.9373 0.3933 0.0296
55 15 0.4852 0.8305 0.1782
56 15 0.6695 0.4852 0.1782
57 15 0.0148 0.6695 0.1782
58 16 0.7712 0.8823 0.059
59 16 0.6177 0.7712 0.059
60 16 0.7288 0.6177 0.059
61 17 0.325 0.0564 0.3221
62 17 0.4436 0.325 0.3221
63 17 0.175 0.4436 0.3221
64 18 0.439 0.0906 0.5661
65 18 0.4094 0.439 0.5661
66 18 0.061 0.4094 0.5661
67 19 0.6446 0.8554 0.25
68 19 0.6446 0.6446 0.25
69 19 0.8554 0.6446 0.25
70 21 0.438 0.9953 0.1374
71 21 0.5047 0.438 0.1374
72 21 0.062 0.5047 0.1374
73 1 0.25 0.75 0.5
74 2 0.1811 0.5407 0.3713
75 3 0.0823 0.3495 0.8646
76 4 0.25 0.75 0.75
77 5 0.189 0.5435 0.8798
78 6 0.1008 0.3202 0.3871
79 7 0.25 0.25 0.6428
80 8 0.25 0.25 0.55
81 9 0.0 0.5 0.5
82 10 0.1119 0.6207 0.6269
83 11 0.2189 0.6714 0.5869
84 12 0.1165 0.6594 0.7785
85 13 0.0496 0.7782 0.9233
86 14 0.8933 0.4373 0.5296
87 15 0.1695 0.5148 0.6782
88 16 0.1177 0.2288 0.559
89 17 0.9436 0.675 0.8221
90 18 0.9094 0.561 0.0661
91 19 0.1446 0.3554 0.75
92 20 0.25 0.25 0.3642
93 21 0.0047 0.562 0.6374
94 22 0.25 0.25 0.25
95 1 0.75 0.25 0.5
96 2 0.5407 0.3189 0.3713
97 2 0.3189 0.9593 0.3713
98 2 0.9593 0.1811 0.3713
99 3 0.3495 0.4177 0.8646
100 3 0.4177 0.1505 0.8646
101 3 0.1505 0.0823 0.8646
102 4 0.75 0.25 0.75
103 5 0.5435 0.311 0.8798
104 5 0.311 0.9565 0.8798
105 5 0.9565 0.189 0.8798
106 6 0.3202 0.3992 0.3871
107 6 0.3992 0.1798 0.3871
108 6 0.1798 0.1008 0.3871
109 9 0.5 0.5 0.5
110 9 0.5 0.0 0.5
111 9 0.0 0.0 0.5
112 10 0.6207 0.3881 0.6269
113 10 0.3881 0.8793 0.6269
114 10 0.8793 0.1119 0.6269
115 11 0.6714 0.2811 0.5869
116 11 0.2811 0.8286 0.5869
117 11 0.8286 0.2189 0.5869
118 12 0.6594 0.3835 0.7785
119 12 0.3835 0.8406 0.7785
120 12 0.8406 0.1165 0.7785
121 13 0.7782 0.4504 0.9233
122 13 0.4504 0.7218 0.9233
123 13 0.7218 0.0496 0.9233
124 14 0.4373 0.6067 0.5296
125 14 0.6067 0.0627 0.5296
126 14 0.0627 0.8933 0.5296
127 15 0.5148 0.3305 0.6782
128 15 0.3305 0.9852 0.6782
129 15 0.9852 0.1695 0.6782
130 16 0.2288 0.3823 0.559
131 16 0.3823 0.2712 0.559
132 16 0.2712 0.1177 0.559
133 17 0.675 0.5564 0.8221
134 17 0.5564 0.825 0.8221
135 17 0.825 0.9436 0.8221
136 18 0.561 0.5906 0.0661
137 18 0.5906 0.939 0.0661
138 18 0.939 0.9094 0.0661
139 19 0.3554 0.3554 0.75
140 19 0.3554 0.1446 0.75
141 19 0.1446 0.1446 0.75
142 21 0.562 0.4953 0.6374
143 21 0.4953 0.938 0.6374
144 21 0.938 0.0047 0.6374
145 2 0.3189 0.5407 0.1287
146 3 0.4177 0.3495 0.6354
147 5 0.311 0.5435 0.6202
148 6 0.3992 0.3202 0.1129
149 7 0.25 0.25 0.8572
150 8 0.25 0.25 0.95
151 10 0.3881 0.6207 0.8731
152 11 0.2811 0.6714 0.9131
153 12 0.3835 0.6594 0.7215
154 13 0.4504 0.7782 0.5767
155 14 0.6067 0.4373 0.9704
156 15 0.3305 0.5148 0.8218
157 16 0.3823 0.2288 0.941
158 17 0.5564 0.675 0.6779
159 18 0.5906 0.561 0.4339
160 20 0.25 0.25 0.1358
161 21 0.4953 0.562 0.8626
162 2 0.9593 0.3189 0.1287
163 2 0.1811 0.9593 0.1287
164 2 0.5407 0.1811 0.1287
165 3 0.1505 0.4177 0.6354
166 3 0.0823 0.1505 0.6354
167 3 0.3495 0.0823 0.6354
168 5 0.9565 0.311 0.6202
169 5 0.189 0.9565 0.6202
170 5 0.5435 0.189 0.6202
171 6 0.1798 0.3992 0.1129
172 6 0.1008 0.1798 0.1129
173 6 0.3202 0.1008 0.1129
174 10 0.8793 0.3881 0.8731
175 10 0.1119 0.8793 0.8731
176 10 0.6207 0.1119 0.8731
177 11 0.8286 0.2811 0.9131
178 11 0.2189 0.8286 0.9131
179 11 0.6714 0.2189 0.9131
180 12 0.8406 0.3835 0.7215
181 12 0.1165 0.8406 0.7215
182 12 0.6594 0.1165 0.7215
183 13 0.7218 0.4504 0.5767
184 13 0.0496 0.7218 0.5767
185 13 0.7782 0.0496 0.5767
186 14 0.0627 0.6067 0.9704
187 14 0.8933 0.0627 0.9704
188 14 0.4373 0.8933 0.9704
189 15 0.9852 0.3305 0.8218
190 15 0.1695 0.9852 0.8218
191 15 0.5148 0.1695 0.8218
192 16 0.2712 0.3823 0.941
193 16 0.1177 0.2712 0.941
194 16 0.2288 0.1177 0.941
195 17 0.825 0.5564 0.6779
196 17 0.9436 0.825 0.6779
197 17 0.675 0.9436 0.6779
198 18 0.939 0.5906 0.4339
199 18 0.9094 0.939 0.4339
200 18 0.561 0.9094 0.4339
201 21 0.938 0.4953 0.8626
202 21 0.0047 0.938 0.8626
203 21 0.562 0.0047 0.8626
204 2 0.6811 0.0407 0.6287
205 3 0.5823 0.8495 0.1354
206 5 0.689 0.0435 0.1202
207 6 0.6008 0.8202 0.6129
208 7 0.75 0.75 0.3572
209 8 0.75 0.75 0.45
210 10 0.6119 0.1207 0.3731
211 11 0.7189 0.1714 0.4131
212 12 0.6165 0.1594 0.2215
213 13 0.5496 0.2782 0.0767
214 14 0.3933 0.9373 0.4704
215 15 0.6695 0.0148 0.3218
216 16 0.6177 0.7288 0.441
217 17 0.4436 0.175 0.1779
218 18 0.4094 0.061 0.9339
219 20 0.75 0.75 0.6358
220 21 0.5047 0.062 0.3626
221 2 0.0407 0.8189 0.6287
222 2 0.8189 0.4593 0.6287
223 2 0.4593 0.6811 0.6287
224 3 0.8495 0.9177 0.1354
225 3 0.9177 0.6505 0.1354
226 3 0.6505 0.5823 0.1354
227 5 0.0435 0.811 0.1202
228 5 0.811 0.4565 0.1202
229 5 0.4565 0.689 0.1202
230 6 0.8202 0.8992 0.6129
231 6 0.8992 0.6798 0.6129
232 6 0.6798 0.6008 0.6129
233 10 0.1207 0.8881 0.3731
234 10 0.8881 0.3793 0.3731
235 10 0.3793 0.6119 0.3731
236 11 0.1714 0.7811 0.4131
237 11 0.7811 0.3286 0.4131
238 11 0.3286 0.7189 0.4131
239 12 0.1594 0.8835 0.2215
240 12 0.8835 0.3406 0.2215
241 12 0.3406 0.6165 0.2215
242 13 0.2782 0.9504 0.0767
243 13 0.9504 0.2218 0.0767
244 13 0.2218 0.5496 0.0767
245 14 0.9373 0.1067 0.4704
246 14 0.1067 0.5627 0.4704
247 14 0.5627 0.3933 0.4704
248 15 0.0148 0.8305 0.3218
249 15 0.8305 0.4852 0.3218
250 15 0.4852 0.6695 0.3218
251 16 0.7288 0.8823 0.441
252 16 0.8823 0.7712 0.441
253 16 0.7712 0.6177 0.441
254 17 0.175 0.0564 0.1779
255 17 0.0564 0.325 0.1779
256 17 0.325 0.4436 0.1779
257 18 0.061 0.0906 0.9339
258 18 0.0906 0.439 0.9339
259 18 0.439 0.4094 0.9339
260 21 0.062 0.9953 0.3626
261 21 0.9953 0.438 0.3626
262 21 0.438 0.5047 0.3626
X-ray density (g/cm cub.) = 3.4
MU (1/cm) = 328.649 Mass attenuation coefficient (cm**2/g) = 96.641
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Si 2.148 4
1.6647 11
1.6647 11
1.6647 11
1.6647 11
2 Si 2.148 4
1.6413 12
1.6342 13
1.6178 17
1.6777 14
3 Si 2.148 4
1.6628 19
1.6169 18
1.6177 15
1.6098 16
4 Ca 2.928 8
2.327 11
2.5279 12
2.327 11
2.5279 12
2.327 11
2.5279 12
2.327 11
2.5279 12
5 Ca 2.928 8
2.4362 12
2.4353 15
2.3767 13
2.3184 18
2.479 11
2.3433 15
2.4399 14
2.9002 16
6 Ca 2.928 8
2.487 16
2.5754 20
2.4618 13
2.4794 17
2.3636 17
2.5973 18
2.5602 17
2.4722 21
7 Ca ,Ca 2.928 8
2.3031 16
2.6369 19
2.3031 16
2.3031 16
2.3031 16
2.6369 19
2.6369 19
2.6369 19
8 Fe ,Fe 2.64 5
2.0835 16
2.1889 20
2.0835 16
2.0835 16
2.0835 16
9 Al 2.364 6
1.9533 14
1.8848 21
1.8664 18
1.9533 14
1.8848 21
1.8664 18
10 Al ,Mg ,Fe 2.64 6
1.8985 11
1.8856 12
1.9675 15
1.9017 21
2.0537 14
1.9364 13
11 O 3.312 9
2.7674 12
2.7676 15
2.6254 11
2.8531 13
2.7638 11
2.7638 11
2.7873 14
3.0138 12
2.7458 13
12 O 3.312 9
2.7674 11
2.719 13
2.6676 15
2.7445 17
2.84 21
3.0138 11
2.893 12
2.7695 13
2.5453 14
13 O 3.312 10
2.719 12
2.5884 17
3.1514 18
2.9085 14
3.1455 16
2.8531 11
2.7458 11
2.7695 12
2.7281 14
2.6751 21
14 O 3.312 10
2.8906 21
2.9085 13
2.6749 18
2.7873 11
2.7381 15
2.5258 21
2.5453 12
2.7281 13
2.7565 17
2.7281 18
15 O 3.312 8
2.7676 11
2.6676 12
2.6444 19
2.7052 21
2.6559 16
2.6949 18
2.7381 14
3.0188 15
16 O 3.312 10
3.0171 19
3.0978 20
2.6559 15
2.9426 16
2.9426 16
2.6358 19
3.1455 13
3.0648 17
2.6409 18
2.9408 18
17 O 3.312 9
2.7445 12
2.5884 13
2.952 21
3.0648 16
3.2622 20
2.7565 14
3.1097 17
2.8831 17
2.8325 21
18 O 3.312 9
3.1514 13
2.6409 16
2.6749 14
2.6949 15
2.9408 16
2.6613 19
2.6619 21
2.7281 14
2.6431 21
19 O 3.312 10
2.6444 15
3.0171 16
2.6358 16
3.2736 19
3.2736 19
2.6613 18
2.6613 18
2.6444 15
3.0171 16
2.6358 16
20 O 3.312 9
3.0978 16
3.0978 16
3.0978 16
3.0978 16
3.2622 17
3.2622 17
3.2622 17
3.2622 17
2.6907 20
21 F ,OH 3.36 10
2.84 12
2.8906 14
2.7052 15
2.952 17
2.6619 18
2.5258 14
2.6751 13
2.8325 17
2.6431 18
3.0306 21
22 H 1.68 2
1.3454 20
1.3454 20
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 0 4.672 9.344 0.046 298.45 4 36.4 19.6
2 1 0 1 5.469 10.937 0.053 217.24 8 27.9 16.8
3 2 0 0 6.615 13.23 0.064 147.75 4 8.6 0.5
4 2 1 1 8.598 17.197 0.084 86.54 16 19.5 6.5
5 0 0 2 8.734 17.468 0.085 83.8 2 170.7 60.5
6 2 2 0 9.376 18.752 0.091 72.43 4 62.3 14.0
7 1 1 2 9.923 19.845 0.096 64.44 8 57.9 21.4
8 3 1 0 10.494 20.989 0.102 57.38 8 25.3 3.6
9 3 0 1 10.879 21.758 0.106 53.24 8 9.8 0.5
10 2 0 2 10.988 21.976 0.107 52.15 8 89.6 41.5
11 3 1 1 11.381 22.762 0.11 48.47 16 7.0 0.5
12 2 1 2 11.485 22.97 0.111 47.56 16 30.3 8.7
13 3 2 1 12.775 25.549 0.124 38.04 16 45.1 15.4
14 2 2 2 12.868 25.736 0.124 37.46 8 134.6 67.3
15 4 0 0 13.32 26.64 0.129 34.83 4 97.7 16.5
16 1 0 3 13.588 27.177 0.131 33.39 8 11.0 0.4
17 3 1 2 13.718 27.435 0.133 32.72 16 47.8 14.8
18 3 3 0 14.144 28.289 0.137 30.66 4 34.7 1.8
19 4 1 1 14.437 28.875 0.139 29.35 16 1.4 0.0
20 3 2 2 14.908 29.816 0.144 27.41 16 52.2 14.8
21 4 2 0 14.927 29.853 0.144 27.33 8 164.4 73.2
22 2 1 3 15.169 30.338 0.146 26.4 16 15.9 1.3
23 4 2 1 15.577 31.155 0.15 24.94 16 5.0 0.1
24 4 0 2 16.018 32.035 0.154 23.48 8 149.8 52.2
25 4 1 2 16.372 32.745 0.158 22.4 16 36.1 5.8
26 3 0 3 16.613 33.225 0.16 21.7 8 29.2 1.8
27 3 3 2 16.72 33.441 0.161 21.4 8 17.2 0.6
28 3 1 3 16.956 33.913 0.163 20.76 16 88.4 32.2
29 5 1 0 17.079 34.158 0.164 20.43 8 168.7 57.6
30 4 3 1 17.327 34.654 0.166 19.8 16 120.5 57.0
31 5 0 1 17.327 34.654 0.166 19.8 8 14.0 0.4
32 4 2 2 17.398 34.796 0.167 19.62 16 101.1 39.8
33 5 1 1 17.659 35.317 0.17 19.0 16 34.6 4.5
34 0 0 4 17.68 35.36 0.17 18.95 2 868.8 354.4
35 3 2 3 17.953 35.906 0.172 18.32 16 102.7 38.3
36 1 1 4 18.327 36.653 0.176 17.51 8 116.5 23.6
37 5 2 1 18.622 37.245 0.179 16.91 16 31.7 3.4
38 2 0 4 18.954 37.909 0.182 16.26 8 59.2 5.6
39 4 3 2 19.0 38.0 0.182 16.17 16 450.7 651.3
40 4 4 0 19.015 38.031 0.182 16.15 4 470.2 176.9
41 4 1 3 19.212 38.423 0.184 15.78 16 8.1 0.2
42 2 1 4 19.262 38.523 0.184 15.69 16 29.6 2.7
43 5 1 2 19.307 38.613 0.185 15.61 16 6.8 0.1
44 5 3 0 19.624 39.248 0.188 15.06 8 104.3 16.2
45 4 2 3 20.111 40.223 0.192 14.26 16 69.3 13.6
46 5 3 1 20.14 40.281 0.192 14.21 16 29.4 2.4
47 2 2 4 20.16 40.319 0.193 14.18 8 379.7 202.6
48 5 2 2 20.203 40.406 0.193 14.11 16 363.5 369.7
49 6 0 0 20.218 40.435 0.193 14.09 4 32.4 0.7
50 3 1 4 20.74 41.48 0.198 13.31 16 103.0 28.0
51 6 1 1 21.007 42.014 0.2 12.94 16 68.4 12.0
52 4 4 2 21.068 42.135 0.201 12.85 8 55.2 3.9
53 6 2 0 21.363 42.726 0.204 12.46 8 492.3 299.3
54 4 3 3 21.542 43.083 0.205 12.23 16 19.8 0.9
55 5 0 3 21.542 43.083 0.205 12.23 8 230.6 64.5
56 3 2 4 21.587 43.174 0.206 12.17 16 73.4 13.0
57 5 3 2 21.628 43.256 0.206 12.12 16 7.2 0.1
58 5 1 3 21.818 43.637 0.208 11.88 16 59.9 8.4
59 6 2 1 21.846 43.691 0.208 11.85 16 9.1 0.2
60 5 4 1 22.119 44.239 0.21 11.52 16 81.9 15.3
61 6 0 2 22.177 44.355 0.211 11.45 8 178.7 36.2
62 4 0 4 22.408 44.816 0.213 11.19 8 196.2 42.7
63 6 1 2 22.448 44.896 0.213 11.14 16 90.1 17.9
64 1 0 5 22.58 45.16 0.215 11.0 8 140.5 21.5
65 5 2 3 22.633 45.265 0.215 10.94 16 111.4 26.9
66 4 1 4 22.676 45.353 0.216 10.89 16 148.6 47.7
67 3 3 4 22.942 45.885 0.218 10.61 8 180.6 34.3
68 6 3 1 23.189 46.378 0.22 10.36 16 116.8 28.0
69 6 2 2 23.245 46.49 0.221 10.3 16 30.6 1.9
70 4 2 4 23.467 46.935 0.223 10.08 16 52.8 5.6
71 5 4 2 23.506 47.012 0.223 10.04 16 17.2 0.6
72 2 1 5 23.633 47.266 0.224 9.92 16 108.7 23.2
73 5 3 3 23.941 47.883 0.227 9.63 16 122.5 28.7
74 5 5 0 24.034 48.068 0.228 9.55 4 3.6 0.0
75 7 1 0 24.034 48.068 0.228 9.55 8 251.2 59.7
76 7 0 1 24.222 48.443 0.229 9.38 8 173.6 28.0
77 7 1 1 24.475 48.95 0.232 9.16 16 143.3 37.3
78 6 3 2 24.528 49.057 0.232 9.12 16 13.3 0.3
79 6 4 0 24.541 49.082 0.232 9.11 8 8.5 0.1
80 3 0 5 24.652 49.303 0.233 9.01 8 120.8 13.0
81 6 1 3 24.701 49.402 0.234 8.97 16 92.3 15.2
82 4 3 4 24.742 49.484 0.234 8.94 16 93.4 15.5
83 3 1 5 24.901 49.803 0.235 8.81 16 226.5 89.6
84 6 4 1 24.975 49.95 0.236 8.75 16 199.8 69.2
85 5 1 4 24.991 49.982 0.236 8.74 16 16.9 0.5
86 7 2 1 25.222 50.445 0.238 8.56 16 57.3 5.6
87 6 2 3 25.444 50.888 0.24 8.39 16 170.8 48.5
88 3 2 5 25.64 51.28 0.242 8.24 16 17.7 0.5
89 5 4 3 25.688 51.376 0.242 8.21 16 111.5 20.2
90 5 2 4 25.728 51.456 0.243 8.18 16 81.9 10.9
91 5 5 2 25.764 51.528 0.243 8.15 8 62.6 3.2
92 7 1 2 25.764 51.528 0.243 8.15 16 135.1 29.5
93 7 3 0 26.018 52.035 0.245 7.97 8 275.9 60.1
94 6 4 2 26.246 52.492 0.247 7.81 16 144.7 32.4
95 7 3 1 26.434 52.869 0.249 7.69 16 155.0 36.6
96 4 4 4 26.45 52.9 0.249 7.68 8 15.5 0.2
97 7 2 2 26.485 52.97 0.249 7.66 16 41.1 2.6
98 4 1 5 26.602 53.204 0.25 7.58 16 26.7 1.1
99 6 3 3 26.649 53.297 0.251 7.55 16 208.9 65.3
100 5 3 4 26.924 53.847 0.253 7.37 16 66.8 6.5
101 0 0 6 27.1 54.201 0.255 7.27 2 106.5 2.0
102 6 5 1 27.143 54.286 0.255 7.24 16 174.8 43.9
103 4 2 5 27.307 54.615 0.256 7.14 16 7.0 0.1
104 6 0 4 27.392 54.783 0.257 7.09 8 84.0 5.0
105 8 0 0 27.437 54.875 0.258 7.06 4 54.0 1.0
106 1 1 6 27.566 55.133 0.259 6.99 8 55.3 2.1
107 7 0 3 27.586 55.171 0.259 6.98 8 31.5 0.7
108 6 1 4 27.624 55.247 0.259 6.96 16 91.1 11.5
109 7 3 2 27.658 55.316 0.259 6.94 16 116.9 18.8
110 7 1 3 27.817 55.633 0.261 6.85 16 155.0 32.6
111 2 0 6 28.027 56.054 0.263 6.73 8 227.2 34.4
112 7 4 1 28.069 56.138 0.263 6.71 16 98.1 12.8
113 8 1 1 28.069 56.138 0.263 6.71 16 57.8 4.4
114 2 1 6 28.256 56.511 0.265 6.61 16 101.8 13.6
115 6 4 3 28.275 56.549 0.265 6.6 16 1.0 0.0
116 6 2 4 28.312 56.624 0.265 6.58 16 124.3 20.2
117 6 5 2 28.346 56.691 0.265 6.56 16 57.0 4.2
118 8 2 0 28.357 56.714 0.266 6.55 8 245.8 39.2
119 4 3 5 28.457 56.914 0.266 6.5 16 97.2 12.2
120 5 0 5 28.457 56.914 0.266 6.5 8 166.0 17.8
121 7 2 3 28.502 57.004 0.267 6.48 16 38.1 1.9
122 5 4 4 28.539 57.078 0.267 6.46 16 14.8 0.3
123 5 1 5 28.683 57.367 0.268 6.39 16 129.1 21.1
124 8 2 1 28.75 57.5 0.269 6.35 16 14.6 0.3
125 2 2 6 28.934 57.868 0.27 6.26 8 45.2 1.3
126 8 0 2 29.023 58.045 0.271 6.22 8 12.5 0.1
127 7 4 2 29.246 58.492 0.273 6.11 16 35.9 1.6
128 8 1 2 29.246 58.492 0.273 6.11 16 57.0 3.9
129 6 6 0 29.257 58.514 0.273 6.11 4 13.8 0.1
130 5 2 5 29.356 58.711 0.274 6.06 16 21.3 0.5
131 3 1 6 29.381 58.762 0.274 6.05 16 75.9 6.9
132 6 3 4 29.436 58.871 0.275 6.02 16 2.9 0.0
133 7 3 3 29.621 59.242 0.276 5.94 16 54.2 3.5
134 7 5 0 29.701 59.402 0.277 5.9 8 88.0 4.5
135 8 3 1 29.864 59.727 0.278 5.83 16 68.5 5.4
136 8 2 2 29.91 59.821 0.279 5.81 16 97.6 11.0
137 3 2 6 30.043 60.087 0.28 5.75 16 16.8 0.3
138 7 5 1 30.083 60.166 0.28 5.74 16 68.4 5.3
139 6 5 3 30.28 60.56 0.282 5.65 16 37.2 1.5
140 5 3 5 30.455 60.91 0.283 5.58 16 47.2 2.5
141 5 5 4 30.534 61.067 0.284 5.55 8 114.2 7.2
142 7 1 4 30.534 61.067 0.284 5.55 16 279.6 86.0
143 4 0 6 30.697 61.394 0.285 5.49 8 93.5 4.8
144 6 6 2 30.782 61.565 0.286 5.45 8 114.9 7.1
145 4 1 6 30.913 61.826 0.287 5.4 16 30.4 1.0
146 6 4 4 30.966 61.932 0.288 5.38 16 74.7 5.9
147 8 3 2 30.998 61.996 0.288 5.37 16 11.0 0.1
148 8 4 0 31.009 62.017 0.288 5.36 8 45.7 1.1
149 6 1 5 31.104 62.207 0.289 5.33 16 0.2 0.0
150 3 3 6 31.128 62.256 0.289 5.32 8 43.2 1.0
151 7 4 3 31.146 62.292 0.289 5.31 16 31.6 1.1
152 8 1 3 31.146 62.292 0.289 5.31 16 57.8 3.5
153 7 2 4 31.181 62.362 0.289 5.3 16 14.1 0.2
154 7 5 2 31.213 62.426 0.29 5.29 16 35.7 1.3
155 8 4 1 31.381 62.763 0.291 5.22 16 49.5 2.5
156 9 1 0 31.437 62.875 0.292 5.2 8 206.3 22.0
157 4 2 6 31.556 63.112 0.293 5.16 16 17.7 0.3
158 9 0 1 31.595 63.19 0.293 5.15 8 59.7 1.8
159 6 2 5 31.744 63.489 0.294 5.09 16 105.5 11.2
160 8 2 3 31.786 63.573 0.294 5.08 16 27.2 0.7
161 9 1 1 31.807 63.615 0.295 5.07 16 67.1 4.5
162 5 4 5 31.956 63.913 0.296 5.02 16 44.6 2.0
163 7 3 4 32.244 64.488 0.298 4.92 16 274.9 73.7
164 1 0 7 32.316 64.632 0.299 4.9 8 111.2 6.0
165 7 6 1 32.44 64.881 0.3 4.86 16 31.1 0.9
166 9 2 1 32.44 64.881 0.3 4.86 16 10.2 0.1
167 8 4 2 32.485 64.97 0.3 4.85 16 151.4 22.0
168 4 3 6 32.612 65.224 0.301 4.8 16 412.6 162.1
169 6 3 5 32.797 65.594 0.303 4.75 16 23.1 0.5
170 5 1 6 32.821 65.642 0.303 4.74 16 75.6 5.4
171 8 3 3 32.838 65.677 0.303 4.73 16 50.1 2.4
172 6 5 4 32.872 65.745 0.303 4.72 16 36.9 1.3
173 9 1 2 32.903 65.807 0.304 4.71 16 53.1 2.6
174 7 5 3 33.047 66.093 0.305 4.67 16 15.2 0.2
175 9 3 0 33.122 66.243 0.305 4.65 8 54.4 1.4
176 2 1 7 33.152 66.304 0.306 4.64 16 70.8 4.6
177 8 5 1 33.275 66.549 0.307 4.6 16 67.4 4.1
178 5 2 6 33.444 66.888 0.308 4.55 16 398.1 143.0
179 9 3 1 33.481 66.963 0.308 4.54 16 110.8 11.1
180 8 0 4 33.495 66.99 0.308 4.54 8 363.8 59.5
181 7 6 2 33.525 67.051 0.309 4.53 16 25.7 0.6
182 9 2 2 33.525 67.051 0.309 4.53 16 463.1 192.6
183 7 0 5 33.627 67.253 0.31 4.5 8 9.6 0.0
184 7 4 4 33.701 67.402 0.31 4.48 16 46.6 1.9
185 8 1 4 33.701 67.402 0.31 4.48 16 18.5 0.3
186 7 1 5 33.833 67.665 0.311 4.44 16 29.6 0.8
187 3 0 7 33.977 67.954 0.312 4.4 8 20.7 0.2
188 4 4 6 34.061 68.122 0.313 4.38 8 32.2 0.5
189 3 1 7 34.182 68.364 0.314 4.35 16 40.6 1.4
190 6 4 5 34.242 68.485 0.315 4.33 16 77.8 5.2
191 8 4 3 34.283 68.565 0.315 4.32 16 5.7 0.0
192 8 2 4 34.316 68.632 0.315 4.32 16 86.5 6.4
193 8 5 2 34.346 68.692 0.315 4.31 16 33.6 1.0
194 7 2 5 34.446 68.893 0.316 4.28 16 66.2 3.7
195 5 3 6 34.47 68.939 0.316 4.28 16 98.6 8.2
196 9 0 3 34.487 68.973 0.317 4.27 8 29.5 0.4
197 9 3 2 34.55 69.1 0.317 4.26 16 45.4 1.7
198 9 1 3 34.69 69.38 0.318 4.22 16 42.7 1.5
199 7 7 0 34.763 69.526 0.319 4.2 4 473.8 46.7
200 3 2 7 34.793 69.585 0.319 4.19 16 15.5 0.2
201 6 0 6 34.876 69.752 0.32 4.17 8 141.0 8.2
202 9 4 1 34.913 69.825 0.32 4.17 16 8.4 0.1
203 6 1 6 35.078 70.156 0.321 4.13 16 260.4 55.4
204 6 6 4 35.128 70.256 0.322 4.11 8 391.7 62.6
205 8 6 0 35.168 70.336 0.322 4.1 8 120.9 5.9
206 10 0 0 35.168 70.336 0.322 4.1 4 34.2 0.2
207 7 6 3 35.297 70.594 0.323 4.07 16 106.7 9.2
208 9 2 3 35.297 70.594 0.323 4.07 16 60.6 3.0
209 8 3 4 35.33 70.66 0.323 4.07 16 18.0 0.3
210 7 3 5 35.458 70.917 0.324 4.04 16 113.4 10.3
211 8 6 1 35.518 71.036 0.325 4.02 16 37.2 1.1
212 7 5 4 35.531 71.062 0.325 4.02 16 166.1 22.0
213 4 1 7 35.6 71.2 0.325 4.01 16 8.3 0.1
214 6 2 6 35.682 71.364 0.326 3.99 16 115.4 10.5
215 10 1 1 35.719 71.437 0.326 3.98 16 136.8 14.8
216 5 4 6 35.883 71.765 0.328 3.94 16 19.6 0.3
217 9 4 2 35.962 71.923 0.328 3.93 16 12.3 0.1
218 10 2 0 35.971 71.943 0.328 3.93 8 321.8 40.3
219 6 5 5 36.06 72.119 0.329 3.91 16 86.8 5.8
220 8 5 3 36.099 72.198 0.329 3.9 16 90.0 6.3
221 7 7 2 36.161 72.323 0.33 3.89 8 23.2 0.2
222 4 2 7 36.2 72.4 0.33 3.88 16 62.0 3.0
223 9 3 3 36.298 72.597 0.331 3.86 16 51.4 2.0
224 10 2 1 36.318 72.636 0.331 3.85 16 89.0 6.1
225 9 5 0 36.37 72.741 0.331 3.84 8 265.1 26.8
226 8 6 2 36.559 73.119 0.333 3.8 16 77.3 4.5
227 10 0 2 36.559 73.119 0.333 3.8 8 128.9 6.3
228 6 3 6 36.68 73.359 0.334 3.78 16 149.3 16.7
229 9 5 1 36.716 73.431 0.334 3.77 16 29.3 0.6
230 8 4 4 36.728 73.457 0.334 3.77 16 248.9 46.3
231 10 1 2 36.758 73.516 0.335 3.77 16 153.7 17.6
232 7 4 5 36.855 73.71 0.335 3.75 16 53.6 2.1
233 8 1 5 36.855 73.71 0.335 3.75 16 56.0 2.3
234 9 1 4 37.124 74.248 0.337 3.7 16 114.4 9.6
235 4 3 7 37.192 74.384 0.338 3.68 16 26.5 0.5
236 5 0 7 37.192 74.384 0.338 3.68 8 21.8 0.2
237 10 3 1 37.309 74.617 0.339 3.66 16 115.0 9.6
238 10 2 2 37.351 74.701 0.339 3.66 16 92.2 6.2
239 5 1 7 37.389 74.778 0.339 3.65 16 2.5 0.0
240 0 0 8 37.402 74.804 0.34 3.65 2 609.5 33.6
241 8 2 5 37.447 74.895 0.34 3.64 16 24.3 0.4
242 5 5 6 37.667 75.333 0.342 3.6 8 21.1 0.2
243 7 1 6 37.667 75.333 0.342 3.6 16 57.1 2.3
244 9 4 3 37.683 75.366 0.342 3.6 16 39.3 1.1
245 7 6 4 37.715 75.43 0.342 3.59 16 126.0 11.3
246 9 2 4 37.715 75.43 0.342 3.59 16 34.3 0.8
247 9 5 2 37.744 75.488 0.342 3.59 16 25.7 0.5
248 1 1 8 37.795 75.59 0.343 3.58 8 91.2 2.9
249 5 2 7 37.978 75.957 0.344 3.55 16 4.7 0.0
250 6 4 6 38.059 76.118 0.345 3.53 16 117.7 9.7
251 8 7 1 38.094 76.189 0.345 3.53 16 77.4 4.2
252 2 0 8 38.187 76.374 0.346 3.51 8 49.1 0.8
253 7 2 6 38.254 76.509 0.346 3.5 16 27.1 0.5
254 8 6 3 38.271 76.541 0.346 3.5 16 96.9 6.5
255 10 3 2 38.332 76.663 0.347 3.49 16 32.0 0.7
256 10 4 0 38.341 76.682 0.347 3.49 8 90.4 2.8
257 2 1 8 38.382 76.765 0.347 3.48 16 12.7 0.1
258 8 3 5 38.427 76.855 0.347 3.48 16 74.9 3.9
259 10 1 3 38.466 76.932 0.348 3.47 16 98.3 6.6
260 8 5 4 38.498 76.996 0.348 3.46 16 17.7 0.2
261 7 5 5 38.623 77.245 0.349 3.45 16 28.0 0.5
262 10 4 1 38.68 77.36 0.349 3.44 16 46.4 1.5
263 9 3 4 38.693 77.386 0.349 3.43 16 33.7 0.8
264 9 6 1 38.875 77.75 0.351 3.41 16 65.5 2.9
265 5 3 7 38.954 77.908 0.351 3.4 16 69.4 3.2
266 2 2 8 38.967 77.934 0.352 3.39 8 13.0 0.1
267 10 2 3 39.05 78.1 0.352 3.38 16 142.3 13.6
268 8 7 2 39.111 78.221 0.353 3.37 16 42.1 1.2
269 7 3 6 39.228 78.456 0.354 3.36 16 31.8 0.7
270 3 1 8 39.355 78.71 0.354 3.34 16 13.7 0.1
271 9 5 3 39.438 78.876 0.355 3.33 16 59.1 2.3
272 11 1 0 39.508 79.016 0.356 3.32 8 156.7 8.1
273 6 1 7 39.536 79.072 0.356 3.31 16 65.9 2.9
274 11 0 1 39.651 79.301 0.357 3.3 8 8.8 0.0
275 10 4 2 39.692 79.384 0.357 3.29 16 50.2 1.6
276 8 4 5 39.787 79.574 0.358 3.28 16 17.1 0.2
277 6 5 6 39.809 79.618 0.358 3.28 16 16.1 0.2
278 11 1 1 39.844 79.688 0.358 3.27 16 47.3 1.4
279 9 6 2 39.885 79.77 0.358 3.27 16 24.0 0.4
280 3 2 8 39.935 79.871 0.359 3.26 16 22.1 0.3
281 9 0 5 39.98 79.96 0.359 3.26 8 28.1 0.3
282 10 3 3 40.018 80.036 0.359 3.25 16 23.7 0.4
283 9 4 4 40.05 80.099 0.36 3.25 16 61.5 2.4
284 6 2 7 40.116 80.232 0.36 3.24 16 56.2 2.0
285 9 1 5 40.173 80.346 0.361 3.23 16 87.0 4.9
286 7 7 4 40.242 80.485 0.361 3.22 8 471.2 71.0
287 5 4 7 40.309 80.617 0.362 3.22 16 16.6 0.2
288 8 0 6 40.388 80.775 0.362 3.21 8 49.7 0.8
289 10 5 1 40.423 80.845 0.362 3.2 16 14.5 0.1
290 11 2 1 40.423 80.845 0.362 3.2 16 29.0 0.5
291 4 0 8 40.514 81.027 0.363 3.19 8 84.2 2.2
292 7 4 6 40.58 81.16 0.364 3.18 16 46.5 1.4
293 8 1 6 40.58 81.16 0.364 3.18 16 25.0 0.4
294 8 6 4 40.627 81.255 0.364 3.18 16 133.4 11.2
295 10 0 4 40.627 81.255 0.364 3.18 8 99.9 3.1
296 8 8 0 40.665 81.331 0.364 3.18 4 302.9 14.4
297 4 1 8 40.706 81.412 0.365 3.17 16 16.5 0.2
298 7 6 5 40.75 81.501 0.365 3.17 16 10.7 0.1
299 9 2 5 40.75 81.501 0.365 3.17 16 106.8 7.2
300 8 7 3 40.788 81.577 0.365 3.16 16 158.7 15.8
301 10 1 4 40.82 81.639 0.365 3.16 16 17.0 0.2
302 11 1 2 40.848 81.696 0.366 3.15 16 38.7 0.9
303 3 3 8 40.898 81.796 0.366 3.15 8 105.3 3.5
304 9 7 0 41.05 82.099 0.367 3.13 8 14.4 0.1
305 11 3 0 41.05 82.099 0.367 3.13 8 262.5 21.4
306 6 3 7 41.078 82.155 0.367 3.13 16 68.0 2.9
307 8 2 6 41.156 82.312 0.368 3.12 16 60.7 2.3
308 4 2 8 41.282 82.564 0.369 3.11 16 23.8 0.3
309 10 4 3 41.364 82.728 0.369 3.1 16 47.6 1.4
310 9 7 1 41.383 82.766 0.37 3.1 16 83.5 4.3
311 11 3 1 41.383 82.766 0.37 3.1 16 82.4 4.2
312 10 2 4 41.395 82.79 0.37 3.1 16 16.4 0.2
313 10 5 2 41.424 82.847 0.37 3.09 16 114.1 8.0
314 11 2 2 41.424 82.847 0.37 3.09 16 127.2 9.9
315 8 5 5 41.518 83.035 0.371 3.08 16 22.1 0.3
316 9 6 3 41.555 83.111 0.371 3.08 16 83.3 4.2
317 9 3 5 41.709 83.418 0.372 3.07 16 90.7 5.0
318 9 5 4 41.778 83.556 0.372 3.06 16 369.3 82.7
319 7 0 7 41.844 83.687 0.373 3.05 8 9.6 0.0
320 6 6 6 41.922 83.844 0.373 3.05 8 46.1 0.6
321 8 8 2 41.998 83.995 0.374 3.04 8 40.3 0.5
322 7 1 7 42.035 84.07 0.374 3.04 16 133.7 10.8
323 8 3 6 42.113 84.227 0.375 3.03 16 3.4 0.0
324 10 6 0 42.198 84.396 0.375 3.02 8 169.2 8.6
325 4 3 8 42.238 84.477 0.376 3.02 16 29.0 0.5
326 7 5 6 42.304 84.609 0.376 3.01 16 42.7 1.1
327 11 0 3 42.32 84.64 0.376 3.01 8 84.9 2.2
328 10 3 4 42.351 84.703 0.377 3.01 16 42.2 1.1
329 9 7 2 42.38 84.759 0.377 3.0 16 34.1 0.7
330 11 3 2 42.38 84.759 0.377 3.0 16 18.7 0.2
331 6 4 7 42.417 84.834 0.377 3.0 16 104.3 6.5
332 5 1 8 42.429 84.858 0.377 3.0 16 182.4 19.8
333 11 1 3 42.511 85.022 0.378 2.99 16 23.9 0.3
334 10 6 1 42.53 85.06 0.378 2.99 16 97.7 5.7
335 7 2 7 42.608 85.215 0.378 2.99 16 80.1 3.8
336 11 4 1 42.721 85.441 0.379 2.98 16 27.3 0.4
337 5 2 8 43.001 86.003 0.381 2.95 16 53.4 1.7
338 9 4 5 43.045 86.091 0.382 2.95 16 5.5 0.0
339 10 5 3 43.083 86.166 0.382 2.95 16 29.4 0.5
340 11 2 3 43.083 86.166 0.382 2.95 16 25.6 0.4
341 8 7 4 43.114 86.228 0.382 2.95 16 105.4 6.5
342 1 0 9 43.295 86.589 0.383 2.93 8 73.0 1.5
343 8 4 6 43.448 86.896 0.384 2.92 16 32.0 0.6
344 10 6 2 43.523 87.046 0.385 2.92 16 70.9 2.9
345 7 3 7 43.56 87.12 0.385 2.91 16 53.4 1.6
346 4 4 8 43.573 87.145 0.385 2.91 8 362.0 37.8
347 8 6 5 43.617 87.233 0.386 2.91 16 105.3 6.4
348 10 4 4 43.685 87.37 0.386 2.9 16 124.1 8.9
349 11 4 2 43.713 87.427 0.386 2.9 16 304.2 53.3
350 12 0 0 43.723 87.446 0.386 2.9 4 152.0 3.3
351 10 1 5 43.807 87.614 0.387 2.9 16 31.9 0.6
352 9 1 6 43.829 87.657 0.387 2.9 16 14.2 0.1
353 9 6 4 43.875 87.751 0.387 2.89 16 37.2 0.8
354 5 3 8 43.953 87.906 0.388 2.89 16 55.4 1.8
355 9 7 3 44.035 88.069 0.389 2.88 16 25.8 0.4
356 11 3 3 44.035 88.069 0.389 2.88 16 47.3 1.3
357 2 1 9 44.056 88.112 0.389 2.88 16 28.6 0.5
358 11 5 0 44.103 88.206 0.389 2.88 8 62.1 1.1
359 6 5 7 44.131 88.262 0.389 2.88 16 53.5 1.6
360 9 8 1 44.243 88.487 0.39 2.87 16 10.5 0.1
361 12 1 1 44.243 88.487 0.39 2.87 16 66.2 2.5
362 6 0 8 44.333 88.667 0.391 2.86 8 95.1 2.6
363 10 2 5 44.377 88.755 0.391 2.86 16 56.4 1.8
364 7 6 6 44.399 88.798 0.391 2.86 16 74.7 3.2
365 9 2 6 44.399 88.798 0.391 2.86 16 326.8 60.6
366 11 5 1 44.434 88.867 0.391 2.86 16 68.6 2.7
367 12 2 0 44.483 88.967 0.392 2.86 8 119.6 4.1
368 6 1 8 44.523 89.047 0.392 2.85 16 62.5 2.2
369 9 5 5 44.758 89.515 0.394 2.84 16 23.2 0.3
370 12 2 1 44.814 89.628 0.394 2.84 16 99.1 5.5
371 3 0 9 44.816 89.633 0.394 2.84 8 16.2 0.1
372 11 1 4 44.826 89.652 0.394 2.84 16 202.4 23.0
373 7 4 7 44.891 89.783 0.395 2.83 16 71.0 2.8
374 8 1 7 44.891 89.783 0.395 2.83 16 104.7 6.2
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 0 4.672 9.344 10.98101 19.6 2.4 2.4 5.6
2 1 0 1 5.469 10.937 9.38572 16.8 2.0 2.1 5.6
3 0 0 2 8.734 17.468 5.8904 60.5 7.3 7.4 5.6
4 2 2 0 9.376 18.752 5.49051 14.0 1.7 1.7 5.6
5 1 1 2 9.923 19.845 5.19075 21.4 2.6 2.6 5.6
6 2 0 2 10.988 21.976 4.69286 41.5 5.0 5.1 5.6
7 2 1 2 11.485 22.97 4.49223 8.7 1.0 1.1 5.6
8 3 2 1 12.775 25.549 4.04523 15.4 1.9 1.9 5.6
9 2 2 2 12.868 25.736 4.01631 67.3 8.1 8.2 5.6
10 4 0 0 13.32 26.64 3.88238 16.5 2.0 2.0 5.6
11 3 1 2 13.718 27.435 3.77194 14.8 1.8 1.8 5.6
12 4 2 0 14.927 29.853 3.4725 88.0 10.6 10.7 5.6
13 4 0 2 16.018 32.035 3.2416 52.2 6.3 6.3 5.6
14 3 1 3 16.956 33.913 3.06695 32.2 3.9 3.9 5.7
15 5 1 0 17.079 34.158 3.04559 57.6 7.0 7.0 5.7
16 4 3 1 17.327 34.654 3.00328 57.4 6.9 6.9 5.7
17 4 2 2 17.398 34.796 2.99139 39.8 4.8 4.8 5.7
18 0 0 4 17.68 35.36 2.9452 358.9 43.3 43.4 5.7
19 3 2 3 17.953 35.906 2.90188 38.3 4.6 4.6 5.7
20 1 1 4 18.327 36.653 2.84466 23.6 2.8 2.8 5.7
21 4 3 2 19.0 38.0 2.74737 828.2 100.0 100.0 5.7
22 5 3 0 19.624 39.248 2.66329 16.2 2.0 2.0 5.7
23 4 2 3 20.111 40.223 2.60133 13.6 1.6 1.6 5.7
24 2 2 4 20.16 40.319 2.59538 205.0 24.8 24.7 5.7
25 5 2 2 20.203 40.406 2.59003 370.5 44.7 44.6 5.7
26 3 1 4 20.74 41.48 2.52579 28.0 3.4 3.4 5.7
27 6 1 1 21.007 42.014 2.49512 12.0 1.4 1.4 5.7
28 6 2 0 21.363 42.726 2.45543 299.3 36.1 36.0 5.7
29 5 0 3 21.542 43.083 2.43605 64.5 7.8 7.7 5.7
30 3 2 4 21.587 43.174 2.43116 13.0 1.6 1.6 5.7
31 5 1 3 21.818 43.637 2.40662 8.6 1.0 1.0 5.7
32 5 4 1 22.119 44.239 2.37548 15.3 1.9 1.8 5.7
33 6 0 2 22.177 44.355 2.36959 36.2 4.4 4.3 5.7
34 4 0 4 22.408 44.816 2.34643 42.7 5.2 5.1 5.7
35 6 1 2 22.448 44.896 2.34247 17.9 2.2 2.2 5.7
36 1 0 5 22.58 45.16 2.3295 21.5 2.6 2.6 5.7
37 5 2 3 22.633 45.265 2.32434 26.9 3.2 3.2 5.7
38 4 1 4 22.676 45.353 2.3201 47.7 5.8 5.7 5.7
39 3 3 4 22.942 45.885 2.29463 34.3 4.1 4.1 5.7
40 6 3 1 23.189 46.378 2.27156 28.0 3.4 3.3 5.7
41 2 1 5 23.633 47.266 2.23125 23.2 2.8 2.8 5.7
42 5 3 3 23.941 47.883 2.20418 28.7 3.5 3.4 5.7
43 7 1 0 24.034 48.068 2.1962 59.7 7.2 7.1 5.7
44 7 0 1 24.222 48.443 2.18018 28.0 3.4 3.3 5.7
45 7 1 1 24.475 48.95 2.15901 37.3 4.5 4.4 5.7
46 3 0 5 24.652 49.303 2.14447 13.0 1.6 1.6 5.7
47 6 1 3 24.701 49.402 2.14044 15.2 1.8 1.8 5.7
48 4 3 4 24.742 49.484 2.13712 15.5 1.9 1.8 5.7
49 3 1 5 24.901 49.803 2.12431 89.6 10.8 10.7 5.7
50 6 4 1 24.975 49.95 2.11845 69.7 8.4 8.3 5.7
51 6 2 3 25.444 50.888 2.08194 48.5 5.9 5.8 5.8
52 5 4 3 25.688 51.376 2.06348 20.2 2.4 2.4 5.8
53 5 2 4 25.728 51.456 2.0605 10.9 1.3 1.3 5.8
54 7 1 2 25.764 51.528 2.05782 32.6 3.9 3.9 5.8
55 7 3 0 26.018 52.035 2.03912 60.1 7.3 7.1 5.8
56 6 4 2 26.246 52.492 2.02261 32.4 3.9 3.9 5.8
57 7 3 1 26.434 52.869 2.00925 36.8 4.4 4.4 5.8
58 6 3 3 26.649 53.297 1.99426 65.3 7.9 7.8 5.8
59 6 5 1 27.143 54.286 1.96062 43.9 5.3 5.2 5.8
60 6 1 4 27.624 55.247 1.92913 11.5 1.4 1.4 5.8
61 7 3 2 27.658 55.316 1.92693 18.8 2.3 2.2 5.8
62 7 1 3 27.817 55.633 1.9168 32.6 3.9 3.9 5.8
63 2 0 6 28.027 56.054 1.90355 34.4 4.2 4.1 5.8
64 7 4 1 28.069 56.138 1.90096 17.2 2.1 2.0 5.8
65 2 1 6 28.256 56.511 1.88941 13.6 1.6 1.6 5.8
66 6 2 4 28.312 56.624 1.88597 20.2 2.4 2.4 5.8
67 8 2 0 28.357 56.714 1.88323 43.5 5.2 5.1 5.8
68 5 0 5 28.457 56.914 1.87714 29.9 3.6 3.5 5.8
69 5 1 5 28.683 57.367 1.86358 21.1 2.5 2.5 5.8
70 8 2 2 29.91 59.821 1.79378 11.0 1.3 1.3 5.8
71 7 1 4 30.534 61.067 1.7606 93.2 11.3 10.9 5.8
72 9 1 0 31.437 62.875 1.71495 22.0 2.7 2.6 5.9
73 6 2 5 31.744 63.489 1.70007 11.2 1.4 1.3 5.9
74 7 3 4 32.244 64.488 1.67651 73.7 8.9 8.6 5.9
75 8 4 2 32.485 64.97 1.66541 22.0 2.7 2.6 5.9
76 4 3 6 32.612 65.224 1.65964 162.1 19.6 18.9 5.9
77 5 2 6 33.444 66.888 1.62298 143.0 17.3 16.6 5.9
78 8 0 4 33.495 66.99 1.6208 70.6 8.5 8.2 5.9
79 9 2 2 33.525 67.051 1.6195 192.6 23.3 22.4 5.9
80 5 3 6 34.47 68.939 1.5804 11.9 1.4 1.4 5.9
81 7 7 0 34.763 69.526 1.56872 46.9 5.7 5.4 5.9
82 6 1 6 35.078 70.156 1.55641 55.4 6.7 6.4 5.9
83 6 6 4 35.128 70.256 1.55448 62.6 7.6 7.2 5.9
84 7 6 3 35.297 70.594 1.54801 12.2 1.5 1.4 5.9
85 7 3 5 35.458 70.917 1.54188 10.3 1.2 1.2 5.9
86 7 5 4 35.531 71.062 1.53914 23.1 2.8 2.7 5.9
87 6 2 6 35.682 71.364 1.53348 10.5 1.3 1.2 5.9
88 10 1 1 35.719 71.437 1.53212 14.8 1.8 1.7 5.9
89 10 2 0 35.971 71.943 1.52279 40.3 4.9 4.6 5.9
90 9 5 0 36.37 72.741 1.50836 26.8 3.2 3.1 6.0
91 10 0 2 36.559 73.119 1.50164 10.8 1.3 1.2 6.0
92 6 3 6 36.68 73.359 1.49741 16.7 2.0 1.9 6.0
93 8 4 4 36.728 73.457 1.49569 64.0 7.7 7.4 6.0
94 9 1 4 37.124 74.248 1.48201 9.6 1.2 1.1 6.0
95 10 3 1 37.309 74.617 1.47574 9.6 1.2 1.1 6.0
96 0 0 8 37.402 74.804 1.4726 33.6 4.1 3.8 6.0
97 7 6 4 37.715 75.43 1.46217 12.6 1.5 1.4 6.0
98 6 4 6 38.059 76.118 1.45094 9.7 1.2 1.1 6.0
99 10 2 3 39.05 78.1 1.41978 13.6 1.6 1.5 6.0
100 11 1 0 39.508 79.016 1.40597 10.9 1.3 1.2 6.0
101 7 7 4 40.242 80.485 1.38456 71.0 8.6 8.0 6.0
102 8 6 4 40.627 81.255 1.37369 14.4 1.7 1.6 6.1
103 8 8 0 40.665 81.331 1.37263 14.4 1.7 1.6 6.1
104 8 7 3 40.788 81.577 1.36921 15.8 1.9 1.8 6.1
105 11 3 0 41.05 82.099 1.36203 24.3 2.9 2.7 6.1
106 11 3 1 41.383 82.766 1.35301 9.8 1.2 1.1 6.1
107 11 2 2 41.424 82.847 1.35192 17.9 2.2 2.0 6.1
108 9 5 4 41.778 83.556 1.34253 82.7 10.0 9.3 6.1
109 7 1 7 42.035 84.07 1.33585 10.8 1.3 1.2 6.1
110 10 6 0 42.198 84.396 1.33164 8.6 1.0 1.0 6.1
111 5 1 8 42.429 84.858 1.32576 26.3 3.2 2.9 6.1
112 4 4 8 43.573 87.145 1.29769 39.5 4.8 4.4 6.2
113 11 4 2 43.713 87.427 1.29435 65.5 7.9 7.3 6.2
114 9 2 6 44.399 88.798 1.27844 65.5 7.9 7.3 6.2
115 11 1 4 44.826 89.652 1.26881 28.6 3.5 3.2 6.2
116 8 1 7 44.891 89.783 1.26736 9.0 1.1 1.0 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)
|