Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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ROGGIANITE
1, DF, ZL
Ca(2)[Be(OH)(2)Al(2)Si(4)O(13)].2.5H(2)O
Tetragonal I 4/mcm Z = 8
R =0.061 NR =772
5 .7 .1995
Ref.Str.:
Giuseppetti G., Mazzi F., Tadini C.(1991)
* Neues Jb. Miner., Mh., H.7, 307-314
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 18.33 alpha = 90.0
b = 18.33 beta = 90.0
c = 9.16 gamma = 90.0
Unit cell volume (cub. angs.) = 3077.66
Molar volume ( cub.cm/mol.) = 231.72
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1769 0.1769 0.25 0.0 Ca = 1.00
2 0.2619 0.2381 0.0 0.0 Be = 1.00
3 0.2177 0.0 0.25 0.0 Al = 1.00
4 0.1044 0.281 0.0 0.0 Si = 1.00
5 0.1159 0.0408 0.0 0.0 Si = 1.00
6 0.1353 0.3647 0.0 0.0 O = 1.00
7 0.1641 0.0579 0.1457 0.0 O = 1.00
8 0.0579 0.2673 0.1461 0.0 O = 1.00
9 0.0451 0.0936 0.0 0.0 O = 1.00
10 0.1725 0.2246 0.0 0.0 O = 1.00
11 0.2935 0.2065 0.1512 0.0 OH = 1.00
12 0.324 0.176 0.145 0.0 H = 1.00
13 0.409 0.091 0.154 0.0 H(2)O = 0.49, H(2)O = 0.0
14 0.375 0.079 0.0 0.0 H(2)O = 0.27, H(2)O = 0.0
15 0.445 0.055 0.264 0.0 H(2)O = 0.41, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1769 0.1769 0.25
2 2 0.2619 0.2381 0.0
3 3 0.2177 0.0 0.25
4 4 0.1044 0.281 0.0
5 5 0.1159 0.0408 0.0
6 6 0.1353 0.3647 0.0
7 7 0.1641 0.0579 0.1457
8 8 0.0579 0.2673 0.1461
9 9 0.0451 0.0936 0.0
10 10 0.1725 0.2246 0.0
11 11 0.2935 0.2065 0.1512
12 12 0.324 0.176 0.145
13 13 0.409 0.091 0.154
14 14 0.375 0.079 0.0
15 15 0.445 0.055 0.264
16 1 0.8231 0.1769 0.25
17 1 0.8231 0.8231 0.25
18 1 0.1769 0.8231 0.25
19 2 0.7619 0.2619 0.0
20 2 0.7381 0.7619 0.0
21 2 0.2381 0.7381 0.0
22 3 0.0 0.2177 0.25
23 3 0.7823 0.0 0.25
24 3 0.0 0.7823 0.25
25 4 0.719 0.1044 0.0
26 4 0.8956 0.719 0.0
27 4 0.281 0.8956 0.0
28 5 0.9592 0.1159 0.0
29 5 0.8841 0.9592 0.0
30 5 0.0408 0.8841 0.0
31 6 0.6353 0.1353 0.0
32 6 0.8647 0.6353 0.0
33 6 0.3647 0.8647 0.0
34 7 0.9421 0.1641 0.1457
35 7 0.8359 0.9421 0.1457
36 7 0.0579 0.8359 0.1457
37 8 0.7327 0.0579 0.1461
38 8 0.9421 0.7327 0.1461
39 8 0.2673 0.9421 0.1461
40 9 0.9064 0.0451 0.0
41 9 0.9549 0.9064 0.0
42 9 0.0936 0.9549 0.0
43 10 0.7754 0.1725 0.0
44 10 0.8275 0.7754 0.0
45 10 0.2246 0.8275 0.0
46 11 0.7935 0.2935 0.1512
47 11 0.7065 0.7935 0.1512
48 11 0.2065 0.7065 0.1512
49 12 0.824 0.324 0.145
50 12 0.676 0.824 0.145
51 12 0.176 0.676 0.145
52 13 0.909 0.409 0.154
53 13 0.591 0.909 0.154
54 13 0.091 0.591 0.154
55 14 0.921 0.375 0.0
56 14 0.625 0.921 0.0
57 14 0.079 0.625 0.0
58 15 0.945 0.445 0.264
59 15 0.555 0.945 0.264
60 15 0.055 0.555 0.264
61 1 0.8231 0.1769 0.75
62 2 0.7381 0.2381 0.5
63 3 0.7823 0.0 0.75
64 4 0.8956 0.281 0.5
65 5 0.8841 0.0408 0.5
66 6 0.8647 0.3647 0.5
67 7 0.8359 0.0579 0.6457
68 8 0.9421 0.2673 0.6461
69 9 0.9549 0.0936 0.5
70 10 0.8275 0.2246 0.5
71 11 0.7065 0.2065 0.6512
72 12 0.676 0.176 0.645
73 13 0.591 0.091 0.654
74 14 0.625 0.079 0.5
75 15 0.555 0.055 0.764
76 1 0.1769 0.1769 0.75
77 1 0.1769 0.8231 0.75
78 1 0.8231 0.8231 0.75
79 2 0.2381 0.2619 0.5
80 2 0.2619 0.7619 0.5
81 2 0.7619 0.7381 0.5
82 3 0.0 0.2177 0.75
83 3 0.2177 0.0 0.75
84 3 0.0 0.7823 0.75
85 4 0.281 0.1044 0.5
86 4 0.1044 0.719 0.5
87 4 0.719 0.8956 0.5
88 5 0.0408 0.1159 0.5
89 5 0.1159 0.9592 0.5
90 5 0.9592 0.8841 0.5
91 6 0.3647 0.1353 0.5
92 6 0.1353 0.6353 0.5
93 6 0.6353 0.8647 0.5
94 7 0.0579 0.1641 0.6457
95 7 0.1641 0.9421 0.6457
96 7 0.9421 0.8359 0.6457
97 8 0.2673 0.0579 0.6461
98 8 0.0579 0.7327 0.6461
99 8 0.7327 0.9421 0.6461
100 9 0.0936 0.0451 0.5
101 9 0.0451 0.9064 0.5
102 9 0.9064 0.9549 0.5
103 10 0.2246 0.1725 0.5
104 10 0.1725 0.7754 0.5
105 10 0.7754 0.8275 0.5
106 11 0.2065 0.2935 0.6512
107 11 0.2935 0.7935 0.6512
108 11 0.7935 0.7065 0.6512
109 12 0.176 0.324 0.645
110 12 0.324 0.824 0.645
111 12 0.824 0.676 0.645
112 13 0.091 0.409 0.654
113 13 0.409 0.909 0.654
114 13 0.909 0.591 0.654
115 14 0.079 0.375 0.5
116 14 0.375 0.921 0.5
117 14 0.921 0.625 0.5
118 15 0.055 0.445 0.764
119 15 0.445 0.945 0.764
120 15 0.945 0.555 0.764
121 1 0.3231 0.3231 0.75
122 3 0.2823 0.5 0.75
123 4 0.3956 0.219 0.5
124 5 0.3841 0.4592 0.5
125 7 0.3359 0.4421 0.6457
126 8 0.4421 0.2327 0.6461
127 9 0.4549 0.4064 0.5
128 10 0.3275 0.2754 0.5
129 14 0.125 0.421 0.5
130 1 0.6769 0.3231 0.75
131 1 0.6769 0.6769 0.75
132 1 0.3231 0.6769 0.75
133 3 0.5 0.2823 0.75
134 3 0.7177 0.5 0.75
135 3 0.5 0.7177 0.75
136 4 0.781 0.3956 0.5
137 4 0.6044 0.781 0.5
138 4 0.219 0.6044 0.5
139 5 0.5408 0.3841 0.5
140 5 0.6159 0.5408 0.5
141 5 0.4592 0.6159 0.5
142 7 0.5579 0.3359 0.6457
143 7 0.6641 0.5579 0.6457
144 7 0.4421 0.6641 0.6457
145 8 0.7673 0.4421 0.6461
146 8 0.5579 0.7673 0.6461
147 8 0.2327 0.5579 0.6461
148 9 0.5936 0.4549 0.5
149 9 0.5451 0.5936 0.5
150 9 0.4064 0.5451 0.5
151 10 0.7246 0.3275 0.5
152 10 0.6725 0.7246 0.5
153 10 0.2754 0.6725 0.5
154 14 0.579 0.125 0.5
155 14 0.875 0.579 0.5
156 14 0.421 0.875 0.5
157 1 0.6769 0.3231 0.25
158 3 0.7177 0.5 0.25
159 4 0.6044 0.219 0.0
160 5 0.6159 0.4592 0.0
161 7 0.6641 0.4421 0.1457
162 8 0.5579 0.2327 0.1461
163 9 0.5451 0.4064 0.0
164 10 0.6725 0.2754 0.0
165 14 0.875 0.421 0.0
166 1 0.3231 0.3231 0.25
167 1 0.3231 0.6769 0.25
168 1 0.6769 0.6769 0.25
169 3 0.5 0.2823 0.25
170 3 0.2823 0.5 0.25
171 3 0.5 0.7177 0.25
172 4 0.219 0.3956 0.0
173 4 0.3956 0.781 0.0
174 4 0.781 0.6044 0.0
175 5 0.4592 0.3841 0.0
176 5 0.3841 0.5408 0.0
177 5 0.5408 0.6159 0.0
178 7 0.4421 0.3359 0.1457
179 7 0.3359 0.5579 0.1457
180 7 0.5579 0.6641 0.1457
181 8 0.2327 0.4421 0.1461
182 8 0.4421 0.7673 0.1461
183 8 0.7673 0.5579 0.1461
184 9 0.4064 0.4549 0.0
185 9 0.4549 0.5936 0.0
186 9 0.5936 0.5451 0.0
187 10 0.2754 0.3275 0.0
188 10 0.3275 0.7246 0.0
189 10 0.7246 0.6725 0.0
190 14 0.421 0.125 0.0
191 14 0.125 0.579 0.0
192 14 0.579 0.875 0.0
193 7 0.1641 0.0579 0.8543
194 8 0.0579 0.2673 0.8539
195 11 0.2935 0.2065 0.8488
196 12 0.324 0.176 0.855
197 13 0.409 0.091 0.846
198 15 0.445 0.055 0.736
199 7 0.9421 0.1641 0.8543
200 7 0.8359 0.9421 0.8543
201 7 0.0579 0.8359 0.8543
202 8 0.7327 0.0579 0.8539
203 8 0.9421 0.7327 0.8539
204 8 0.2673 0.9421 0.8539
205 11 0.7935 0.2935 0.8488
206 11 0.7065 0.7935 0.8488
207 11 0.2065 0.7065 0.8488
208 12 0.824 0.324 0.855
209 12 0.676 0.824 0.855
210 12 0.176 0.676 0.855
211 13 0.909 0.409 0.846
212 13 0.591 0.909 0.846
213 13 0.091 0.591 0.846
214 15 0.945 0.445 0.736
215 15 0.555 0.945 0.736
216 15 0.055 0.555 0.736
217 7 0.8359 0.0579 0.3543
218 8 0.9421 0.2673 0.3539
219 11 0.7065 0.2065 0.3488
220 12 0.676 0.176 0.355
221 13 0.591 0.091 0.346
222 15 0.555 0.055 0.236
223 7 0.0579 0.1641 0.3543
224 7 0.1641 0.9421 0.3543
225 7 0.9421 0.8359 0.3543
226 8 0.2673 0.0579 0.3539
227 8 0.0579 0.7327 0.3539
228 8 0.7327 0.9421 0.3539
229 11 0.2065 0.2935 0.3488
230 11 0.2935 0.7935 0.3488
231 11 0.7935 0.7065 0.3488
232 12 0.176 0.324 0.355
233 12 0.324 0.824 0.355
234 12 0.824 0.676 0.355
235 13 0.091 0.409 0.346
236 13 0.409 0.909 0.346
237 13 0.909 0.591 0.346
238 15 0.055 0.445 0.236
239 15 0.445 0.945 0.236
240 15 0.945 0.555 0.236
241 7 0.3359 0.4421 0.3543
242 8 0.4421 0.2327 0.3539
243 7 0.5579 0.3359 0.3543
244 7 0.6641 0.5579 0.3543
245 7 0.4421 0.6641 0.3543
246 8 0.7673 0.4421 0.3539
247 8 0.5579 0.7673 0.3539
248 8 0.2327 0.5579 0.3539
249 7 0.6641 0.4421 0.8543
250 8 0.5579 0.2327 0.8539
251 7 0.4421 0.3359 0.8543
252 7 0.3359 0.5579 0.8543
253 7 0.5579 0.6641 0.8543
254 8 0.2327 0.4421 0.8539
255 8 0.4421 0.7673 0.8539
256 8 0.7673 0.5579 0.8539
X-ray density (g/cm cub.) = 2.34
MU (1/cm) = 110.889 Mass attenuation coefficient (cm**2/g) = 47.445
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.048 8
2.3929 7
2.8999 8
2.4526 10
2.3836 11
2.4526 10
2.3929 7
2.8999 8
2.3836 11
2 Be 2.208 4
1.6573 10
1.6091 11
1.6573 10
1.6091 11
3 Al 2.484 4
1.7333 7
1.6908 8
1.7333 7
1.6908 8
4 Si 2.268 4
1.6354 6
1.6064 8
1.6208 10
1.6064 8
5 Si 2.268 4
1.631 7
1.6189 9
1.6267 9
1.631 7
6 O 3.432 10
2.6441 8
2.657 10
3.371 13
3.001 15
2.6441 8
2.657 10
2.6441 8
3.371 13
3.001 15
2.6441 8
7 O 3.432 8
2.6396 9
3.3379 10
2.8432 8
2.6487 9
2.6692 7
3.3511 7
2.856 7
2.6862 8
8 O 3.432 9
2.6441 6
2.6108 10
2.8432 7
2.6766 8
2.8511 8
2.6862 7
3.3313 11
3.2353 13
3.3601 15
9 O 3.432 7
2.6396 7
3.3495 10
2.6487 7
2.6933 9
2.6933 9
2.6396 7
2.6487 7
10 O 3.432 9
2.657 6
3.3379 7
2.6108 8
3.3495 9
2.6358 11
2.6674 10
3.3379 7
2.6108 8
2.6358 11
11 OH 3.48 9
2.6358 10
2.9942 13
3.1003 14
2.6358 10
3.1003 14
2.77 11
3.3313 8
2.8918 11
3.3313 8
12 H 1.8 1
0.7927 11
13 H(2)O,H(2)O 3.6 10
2.9942 11
1.5578 14
1.3734 15
3.371 6
1.5578 14
2.8213 13
2.8568 15
3.2353 8
2.8568 15
3.2353 8
14 H(2)O,H(2)O 3.6 11
3.1003 11
1.5578 13
2.7727 15
3.462 8
3.5146 15
1.1924 14
3.1003 11
1.5578 13
2.7727 15
3.462 8
3.5146 15
15 H(2)O,H(2)O 3.6 13
1.3734 13
2.7727 14
2.8515 15
3.001 6
3.5146 14
3.5146 14
2.7727 14
2.8568 13
2.0325 15
3.3601 8
2.8568 13
2.0325 15
3.3601 8
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 3.407 6.814 0.039 563.29 4 285.7 1942.1
2 2 0 0 4.821 9.642 0.055 280.16 4 235.9 658.2
3 2 2 0 6.826 13.652 0.077 138.61 4 93.8 51.5
4 2 1 1 7.244 14.488 0.082 122.82 16 150.7 471.5
5 3 1 0 7.637 15.273 0.086 110.3 8 109.6 112.0
6 4 0 0 9.677 19.354 0.109 67.86 4 60.6 10.5
7 0 0 2 9.682 19.364 0.109 67.79 2 45.8 3.0
8 3 2 1 9.979 19.958 0.112 63.69 16 34.8 13.0
9 3 3 0 10.27 20.54 0.116 60.01 4 114.2 33.0
10 1 1 2 10.275 20.55 0.116 59.95 8 109.8 61.0
11 4 2 0 10.832 21.664 0.122 53.73 8 49.5 11.1
12 2 0 2 10.837 21.674 0.122 53.68 8 139.4 88.2
13 4 1 1 11.104 22.208 0.125 51.02 16 31.9 8.8
14 2 2 2 11.885 23.77 0.134 44.27 8 153.1 87.7
15 5 1 0 12.373 24.746 0.139 40.69 8 85.3 25.0
16 3 1 2 12.377 24.755 0.139 40.66 16 249.8 428.6
17 4 3 1 13.08 26.161 0.147 36.19 16 297.3 540.4
18 4 4 0 13.752 27.504 0.154 32.55 4 3.8 0.0
19 4 0 2 13.756 27.511 0.154 32.53 8 193.1 102.5
20 5 2 1 13.97 27.941 0.157 31.48 16 229.9 281.0
21 5 3 0 14.184 28.368 0.159 30.48 8 272.0 190.5
22 3 3 2 14.188 28.375 0.159 30.46 8 213.4 117.2
23 6 0 0 14.604 29.208 0.164 28.64 4 24.0 0.7
24 4 2 2 14.608 29.215 0.164 28.62 16 42.1 8.6
25 6 2 0 15.413 30.826 0.173 25.51 8 222.8 106.9
26 6 1 1 15.61 31.221 0.175 24.83 16 150.9 95.5
27 2 1 3 15.617 31.234 0.175 24.8 16 170.9 122.4
28 5 1 2 15.807 31.614 0.177 24.16 16 249.4 254.0
29 5 4 1 16.374 32.749 0.183 22.39 16 63.6 15.3
30 4 4 2 16.93 33.859 0.189 20.83 8 307.4 166.2
31 6 3 1 17.108 34.216 0.191 20.36 16 72.2 17.9
32 3 2 3 17.114 34.229 0.191 20.34 16 70.6 17.1
33 5 5 0 17.286 34.573 0.193 19.9 4 225.0 42.5
34 7 1 0 17.286 34.573 0.193 19.9 8 97.5 16.0
35 5 3 2 17.289 34.579 0.193 19.9 16 55.5 10.3
36 6 4 0 17.64 35.28 0.197 19.04 8 39.2 2.5
37 6 0 2 17.643 35.286 0.197 19.04 8 368.0 217.7
38 4 1 3 17.821 35.642 0.199 18.62 16 93.5 27.5
39 6 2 2 18.332 36.664 0.204 17.5 16 193.8 111.1
40 7 2 1 18.498 36.997 0.206 17.16 16 38.5 4.3
41 7 3 0 18.665 37.33 0.208 16.82 8 38.4 2.1
42 4 3 3 19.167 38.333 0.213 15.87 16 150.5 60.7
43 8 0 0 19.645 39.289 0.218 15.02 4 285.5 51.7
44 0 0 4 19.656 39.311 0.218 15.0 2 563.2 100.5
45 6 5 1 19.804 39.609 0.22 14.75 16 118.2 34.8
46 5 2 3 19.81 39.62 0.22 14.75 16 78.4 15.3
47 5 5 2 19.965 39.929 0.222 14.49 8 118.1 17.1
48 7 1 2 19.965 39.929 0.222 14.49 16 11.1 0.3
49 1 1 4 19.973 39.946 0.222 14.48 8 145.2 25.8
50 8 2 0 20.275 40.55 0.225 14.0 8 220.8 57.7
51 6 4 2 20.278 40.556 0.225 14.0 16 11.6 0.3
52 2 0 4 20.286 40.572 0.225 13.99 8 62.8 4.7
53 7 4 1 20.431 40.862 0.227 13.77 16 32.7 2.5
54 8 1 1 20.431 40.862 0.227 13.77 16 13.1 0.4
55 6 6 0 20.89 41.78 0.231 13.1 4 195.3 21.1
56 2 2 4 20.901 41.801 0.232 13.08 8 133.6 19.7
57 6 1 3 21.047 42.095 0.233 12.88 16 56.6 7.0
58 7 5 0 21.192 42.384 0.235 12.69 8 0.8 0.0
59 7 3 2 21.195 42.389 0.235 12.68 16 147.6 46.7
60 3 1 4 21.203 42.405 0.235 12.67 16 59.5 7.6
61 8 3 1 21.639 43.278 0.239 12.1 16 58.3 7.0
62 5 4 3 21.644 43.289 0.239 12.1 16 19.9 0.8
63 8 4 0 22.078 44.155 0.244 11.57 8 112.4 12.3
64 8 0 2 22.08 44.161 0.244 11.57 8 279.8 76.5
65 4 0 4 22.088 44.176 0.244 11.56 8 58.6 3.4
66 6 3 3 22.228 44.457 0.246 11.39 16 3.7 0.0
67 9 1 0 22.367 44.733 0.247 11.24 8 200.5 38.2
68 3 3 4 22.377 44.754 0.247 11.22 8 109.3 11.3
69 8 2 2 22.655 45.311 0.25 10.92 16 47.6 4.2
70 4 2 4 22.663 45.326 0.25 10.91 16 25.9 1.2
71 6 6 2 23.219 46.438 0.256 10.33 8 128.8 14.5
72 7 6 1 23.357 46.713 0.257 10.19 16 155.5 41.6
73 9 2 1 23.357 46.713 0.257 10.19 16 74.4 9.5
74 7 2 3 23.361 46.723 0.257 10.18 16 3.4 0.0
75 9 3 0 23.495 46.989 0.259 10.05 8 381.2 123.4
76 7 5 2 23.497 46.994 0.259 10.05 16 34.7 2.0
77 5 1 4 23.504 47.009 0.259 10.04 16 82.6 11.6
78 8 5 1 23.908 47.815 0.263 9.66 16 35.1 2.0
79 8 4 2 24.316 48.633 0.267 9.3 16 9.6 0.1
80 4 4 4 24.324 48.647 0.267 9.29 8 68.9 3.7
81 6 5 3 24.454 48.908 0.269 9.18 16 114.2 20.2
82 7 7 0 24.583 49.165 0.27 9.07 4 436.6 73.0
83 9 1 2 24.585 49.17 0.27 9.07 16 24.8 0.9
84 5 3 4 24.592 49.184 0.27 9.06 16 330.5 167.2
85 8 6 0 24.849 49.698 0.273 8.85 8 167.6 21.0
86 10 0 0 24.849 49.698 0.273 8.85 4 20.7 0.2
87 6 0 4 24.858 49.717 0.273 8.84 8 164.3 20.2
88 9 4 1 24.982 49.964 0.274 8.74 16 49.0 3.5
89 7 4 3 24.987 49.973 0.274 8.74 16 201.1 59.7
90 8 1 3 24.987 49.973 0.274 8.74 16 121.9 21.9
91 10 2 0 25.376 50.751 0.278 8.44 8 76.4 4.2
92 6 2 4 25.385 50.77 0.278 8.43 16 274.2 107.1
93 10 1 1 25.507 51.013 0.28 8.34 16 2.5 0.0
94 2 1 5 25.52 51.041 0.28 8.33 16 107.7 16.3
95 9 5 0 25.636 51.272 0.281 8.24 8 110.9 8.6
96 9 3 2 25.638 51.277 0.281 8.24 16 70.5 6.9
97 8 3 3 26.028 52.056 0.285 7.96 16 43.8 2.6
98 10 3 1 26.533 53.067 0.29 7.62 16 171.6 37.9
99 3 2 5 26.547 53.093 0.29 7.61 16 34.5 1.5
100 7 7 2 26.661 53.323 0.291 7.54 8 156.2 15.5
101 5 5 4 26.668 53.336 0.291 7.54 8 376.4 90.2
102 7 1 4 26.668 53.336 0.291 7.54 16 99.0 12.5
103 10 4 0 26.911 53.821 0.294 7.38 8 182.6 20.8
104 8 6 2 26.913 53.826 0.294 7.38 16 210.6 55.3
105 10 0 2 26.913 53.826 0.294 7.38 8 34.5 0.7
106 6 4 4 26.919 53.839 0.294 7.38 16 50.1 3.1
107 8 7 1 27.036 54.073 0.295 7.3 16 105.2 13.7
108 4 1 5 27.049 54.099 0.295 7.3 16 35.2 1.5
109 10 2 2 27.411 54.822 0.299 7.08 16 71.4 6.1
110 9 6 1 27.533 55.066 0.3 7.01 16 98.4 11.5
111 7 6 3 27.537 55.075 0.3 7.01 16 1.3 0.0
112 9 2 3 27.537 55.075 0.3 7.01 16 33.0 1.3
113 11 1 0 27.656 55.312 0.301 6.94 8 92.3 5.0
114 9 5 2 27.658 55.316 0.301 6.94 16 110.5 14.3
115 7 3 4 27.664 55.329 0.301 6.93 16 102.9 12.4
116 8 5 3 28.028 56.056 0.305 6.73 16 62.8 4.5
117 4 3 5 28.037 56.073 0.305 6.73 16 63.3 4.6
118 8 8 0 28.388 56.775 0.309 6.54 4 103.9 3.0
119 8 0 4 28.396 56.792 0.309 6.53 8 75.3 3.1
120 10 5 1 28.509 57.018 0.31 6.48 16 15.5 0.3
121 11 2 1 28.509 57.018 0.31 6.48 16 25.6 0.7
122 5 2 5 28.522 57.043 0.31 6.47 16 69.0 5.2
123 9 7 0 28.629 57.258 0.311 6.41 8 115.6 7.2
124 11 3 0 28.629 57.258 0.311 6.41 8 131.3 9.3
125 10 4 2 28.871 57.742 0.313 6.29 16 77.5 6.4
126 8 2 4 28.877 57.754 0.313 6.29 16 77.7 6.4
127 9 4 3 28.993 57.986 0.315 6.23 16 60.2 3.8
128 10 6 0 29.345 58.69 0.318 6.07 8 53.2 1.5
129 6 6 4 29.353 58.707 0.318 6.06 8 132.8 9.0
130 10 1 3 29.468 58.936 0.319 6.01 16 20.0 0.4
131 6 1 5 29.476 58.952 0.319 6.01 16 88.7 8.0
132 11 1 2 29.583 59.167 0.32 5.96 16 70.5 5.0
133 7 5 4 29.589 59.179 0.321 5.95 16 44.7 2.0
134 11 4 1 29.934 59.868 0.324 5.8 16 4.7 0.0
135 5 4 5 29.946 59.893 0.324 5.8 16 38.6 1.5
136 12 0 0 30.283 60.566 0.327 5.65 4 31.4 0.2
137 8 8 2 30.285 60.571 0.327 5.65 8 195.3 18.2
138 8 4 4 30.291 60.583 0.327 5.65 16 165.9 26.3
139 0 0 6 30.301 60.603 0.328 5.65 2 366.4 16.0
140 10 3 3 30.404 60.808 0.329 5.6 16 56.9 3.1
141 6 3 5 30.412 60.824 0.329 5.6 16 43.5 1.8
142 11 5 0 30.515 61.03 0.33 5.56 8 134.1 8.4
143 9 7 2 30.517 61.034 0.33 5.56 16 95.4 8.5
144 11 3 2 30.517 61.034 0.33 5.56 16 276.7 71.9
145 9 1 4 30.523 61.046 0.33 5.56 16 112.4 11.9
146 1 1 6 30.533 61.066 0.33 5.55 8 70.8 2.4
147 12 2 0 30.746 61.492 0.332 5.47 8 133.9 8.3
148 2 0 6 30.764 61.528 0.332 5.46 8 56.9 1.5
149 9 8 1 30.861 61.723 0.333 5.42 16 20.6 0.4
150 12 1 1 30.861 61.723 0.333 5.42 16 35.3 1.1
151 8 7 3 30.865 61.731 0.333 5.42 16 134.0 16.4
152 10 6 2 31.206 62.413 0.336 5.29 16 30.8 0.8
153 2 2 6 31.222 62.445 0.336 5.28 8 30.8 0.4
154 10 7 1 31.319 62.638 0.337 5.25 16 26.3 0.6
155 9 6 3 31.323 62.646 0.337 5.25 16 177.5 27.9
156 7 2 5 31.331 62.662 0.338 5.24 16 6.6 0.0
157 9 3 4 31.44 62.88 0.339 5.2 16 303.6 81.0
158 3 1 6 31.45 62.9 0.339 5.2 16 158.7 22.1
159 12 3 1 31.773 63.546 0.342 5.08 16 137.4 16.2
160 12 4 0 32.11 64.221 0.345 4.97 8 69.0 2.0
161 12 0 2 32.112 64.225 0.345 4.97 8 291.3 35.6
162 4 0 6 32.128 64.256 0.345 4.96 8 91.6 3.5
163 11 6 1 32.223 64.446 0.346 4.93 16 74.3 4.6
164 10 5 3 32.227 64.454 0.346 4.93 16 89.5 6.7
165 11 2 3 32.227 64.454 0.346 4.93 16 112.0 10.5
166 6 5 5 32.235 64.47 0.346 4.93 16 3.8 0.0
167 9 9 0 32.335 64.669 0.347 4.89 4 110.3 2.5
168 11 5 2 32.337 64.673 0.347 4.89 16 146.9 17.8
169 7 7 4 32.343 64.685 0.347 4.89 8 21.7 0.2
170 3 3 6 32.352 64.705 0.347 4.89 8 230.1 21.9
171 10 8 0 32.558 65.116 0.349 4.82 8 50.0 1.0
172 12 2 2 32.56 65.12 0.349 4.82 16 65.4 3.5
173 8 6 4 32.566 65.132 0.349 4.82 16 108.3 9.6
174 10 0 4 32.566 65.132 0.349 4.82 8 205.1 17.1
175 4 2 6 32.576 65.151 0.349 4.82 16 53.2 2.3
176 7 4 5 32.682 65.364 0.351 4.78 16 119.3 11.5
177 8 1 5 32.682 65.364 0.351 4.78 16 48.2 1.9
178 10 2 4 33.01 66.021 0.354 4.68 16 51.1 2.1
179 11 7 0 33.224 66.448 0.356 4.62 8 202.1 15.9
180 13 1 0 33.224 66.448 0.356 4.62 8 130.9 6.7
181 9 5 4 33.232 66.463 0.356 4.62 16 81.6 5.2
182 5 1 6 33.241 66.482 0.356 4.61 16 187.6 27.4
183 12 5 1 33.555 67.109 0.359 4.52 16 22.3 0.4
184 11 4 3 33.558 67.117 0.359 4.52 16 204.6 32.0
185 8 3 5 33.566 67.132 0.359 4.52 16 46.4 1.6
186 12 4 2 33.885 67.77 0.362 4.43 16 197.5 29.2
187 4 4 6 33.9 67.8 0.362 4.43 8 201.0 15.1
188 13 2 1 33.993 67.985 0.363 4.4 16 108.5 8.7
189 13 3 0 34.101 68.202 0.364 4.37 8 0.9 0.0
190 9 9 2 34.103 68.206 0.364 4.37 8 528.3 103.0
191 5 3 6 34.118 68.237 0.364 4.37 16 21.1 0.3
192 12 6 0 34.319 68.638 0.366 4.31 8 31.0 0.4
193 10 8 2 34.321 68.641 0.366 4.31 16 113.4 9.4
194 10 4 4 34.326 68.653 0.366 4.31 16 191.9 26.8
195 6 0 6 34.336 68.672 0.366 4.31 8 354.4 45.7
196 9 8 3 34.432 68.863 0.367 4.29 16 62.9 2.9
197 12 1 3 34.432 68.863 0.367 4.29 16 108.0 8.4
198 6 2 6 34.769 69.538 0.37 4.2 16 187.6 25.0
199 10 9 1 34.86 69.721 0.371 4.18 16 29.7 0.6
200 10 7 3 34.864 69.729 0.371 4.18 16 15.7 0.2
201 7 6 5 34.872 69.744 0.371 4.18 16 61.0 2.6
202 9 2 5 34.872 69.744 0.371 4.18 16 27.8 0.5
203 11 7 2 34.97 69.939 0.372 4.15 16 127.5 11.4
204 13 1 2 34.97 69.939 0.372 4.15 16 146.5 15.1
205 11 1 4 34.975 69.951 0.372 4.15 16 19.6 0.3
206 11 8 1 35.291 70.582 0.375 4.08 16 123.3 10.5
207 13 4 1 35.291 70.582 0.375 4.08 16 1.0 0.0
208 12 3 3 35.295 70.589 0.375 4.08 16 102.9 7.3
209 8 5 5 35.302 70.604 0.375 4.07 16 6.5 0.0
210 8 8 4 35.619 71.238 0.378 4.0 8 99.4 3.3
211 11 6 3 35.723 71.445 0.379 3.98 16 5.4 0.0
212 13 5 0 35.825 71.65 0.38 3.96 8 210.3 14.8
213 13 3 2 35.827 71.654 0.38 3.96 16 64.0 2.7
214 9 7 4 35.832 71.665 0.38 3.96 16 7.7 0.0
215 11 3 4 35.832 71.665 0.38 3.96 16 227.2 34.5
216 5 5 6 35.842 71.684 0.38 3.95 8 180.8 10.9
217 7 1 6 35.842 71.684 0.38 3.95 16 95.4 6.1
218 14 0 0 36.038 72.076 0.382 3.91 4 111.8 2.1
219 12 6 2 36.04 72.08 0.382 3.91 16 7.0 0.0
220 6 4 6 36.055 72.109 0.382 3.91 16 12.8 0.1
221 12 7 1 36.145 72.289 0.383 3.89 16 102.8 6.9
222 9 4 5 36.156 72.312 0.383 3.89 16 41.4 1.1
223 10 10 0 36.462 72.925 0.386 3.82 4 189.9 5.8
224 14 2 0 36.462 72.925 0.386 3.82 8 54.7 1.0
225 10 6 4 36.47 72.939 0.386 3.82 16 29.6 0.6
226 14 1 1 36.569 73.137 0.387 3.8 16 19.0 0.2
227 10 1 5 36.58 73.159 0.387 3.8 16 8.6 0.0
228 2 1 7 36.591 73.181 0.387 3.8 16 76.4 3.7
229 11 9 0 36.674 73.348 0.388 3.78 8 165.1 8.7
230 7 3 6 36.69 73.381 0.388 3.78 16 126.8 10.3
231 12 5 3 36.994 73.988 0.391 3.72 16 209.8 27.7
232 12 8 0 37.305 74.611 0.393 3.66 8 227.7 16.0
233 12 0 4 37.313 74.625 0.393 3.66 8 35.1 0.4
234 8 0 6 37.322 74.644 0.394 3.66 8 79.5 2.0
235 13 6 1 37.411 74.821 0.394 3.64 16 107.9 7.2
236 14 3 1 37.411 74.821 0.394 3.64 16 16.6 0.2
237 13 2 3 37.414 74.829 0.394 3.64 16 15.1 0.1
238 10 3 5 37.422 74.843 0.394 3.64 16 99.4 6.1
239 3 2 7 37.433 74.865 0.395 3.64 16 20.2 0.3
240 13 5 2 37.517 75.034 0.395 3.63 16 86.3 4.6
241 11 5 4 37.522 75.045 0.395 3.63 16 91.3 5.1
242 14 4 0 37.724 75.449 0.397 3.59 8 56.7 1.0
243 14 0 2 37.726 75.452 0.397 3.59 8 81.7 2.0
244 12 2 4 37.732 75.463 0.397 3.59 16 347.7 73.3
245 8 2 6 37.741 75.482 0.397 3.59 16 72.4 3.2
246 8 7 5 37.84 75.68 0.398 3.57 16 104.3 6.6
247 4 1 7 37.851 75.702 0.398 3.57 16 20.8 0.3
248 10 10 2 38.143 76.287 0.401 3.52 8 152.7 6.9
249 14 2 2 38.143 76.287 0.401 3.52 16 54.5 1.8
250 6 6 6 38.158 76.316 0.401 3.52 8 66.0 1.3
251 10 9 3 38.25 76.5 0.402 3.5 16 40.0 0.9
252 9 6 5 38.257 76.514 0.402 3.5 16 112.1 7.4
253 13 7 0 38.35 76.7 0.403 3.49 8 65.0 1.2
254 11 9 2 38.352 76.703 0.403 3.49 16 112.8 7.5
255 7 5 6 38.366 76.732 0.403 3.48 16 7.4 0.0
256 11 8 3 38.665 77.331 0.406 3.44 16 180.1 18.8
257 13 4 3 38.665 77.331 0.406 3.44 16 36.6 0.8
258 4 3 7 38.684 77.367 0.406 3.44 16 232.4 31.4
259 12 8 2 38.974 77.948 0.408 3.39 16 92.4 4.9
260 12 4 4 38.979 77.959 0.408 3.39 16 123.2 8.7
261 8 4 6 38.988 77.977 0.408 3.39 16 26.9 0.4
262 11 10 1 39.076 78.152 0.409 3.38 16 42.7 1.0
263 14 5 1 39.076 78.152 0.409 3.38 16 33.3 0.6
264 10 5 5 39.087 78.174 0.409 3.38 16 46.8 1.3
265 11 2 5 39.087 78.174 0.409 3.38 16 50.9 1.5
266 5 2 7 39.098 78.195 0.409 3.38 16 166.4 15.8
267 15 1 0 39.179 78.358 0.41 3.36 8 100.9 2.9
268 9 9 4 39.186 78.372 0.41 3.36 8 183.5 9.6
269 9 1 6 39.195 78.39 0.41 3.36 16 139.7 11.1
270 14 4 2 39.387 78.774 0.412 3.34 16 239.9 32.4
271 10 8 4 39.392 78.785 0.412 3.33 16 71.8 2.9
272 12 9 1 39.489 78.978 0.413 3.32 16 17.4 0.2
273 12 7 3 39.492 78.985 0.413 3.32 16 35.3 0.7
274 14 6 0 39.797 79.595 0.415 3.28 8 40.5 0.5
275 15 2 1 39.901 79.801 0.416 3.27 16 41.3 0.9
276 14 1 3 39.904 79.808 0.416 3.27 16 44.2 1.1
277 6 1 7 39.922 79.844 0.417 3.26 16 106.1 6.2
278 15 3 0 40.003 80.006 0.417 3.25 8 70.3 1.4
279 13 7 2 40.005 80.009 0.417 3.25 16 2.6 0.0
280 11 7 4 40.01 80.02 0.417 3.25 16 25.7 0.4
281 13 1 4 40.01 80.02 0.417 3.25 16 90.2 4.5
282 9 3 6 40.019 80.038 0.417 3.25 16 27.9 0.4
283 13 8 1 40.311 80.623 0.42 3.22 16 6.7 0.0
284 11 4 5 40.322 80.644 0.42 3.22 16 90.6 4.5
285 5 4 7 40.333 80.666 0.42 3.21 16 49.0 1.3
286 13 6 3 40.725 81.449 0.423 3.17 16 106.1 6.0
287 14 3 3 40.725 81.449 0.423 3.17 16 101.3 5.5
288 6 3 7 40.743 81.485 0.424 3.17 16 33.7 0.6
289 11 11 0 40.823 81.646 0.424 3.16 4 89.6 1.1
290 15 1 2 40.825 81.649 0.424 3.16 16 37.1 0.7
291 13 3 4 40.83 81.66 0.424 3.16 16 38.5 0.8
292 7 7 6 40.839 81.678 0.424 3.16 8 35.9 0.3
293 12 10 0 41.027 82.055 0.426 3.14 8 116.7 3.6
294 12 6 4 41.034 82.069 0.426 3.13 16 131.4 9.1
295 8 6 6 41.043 82.087 0.426 3.13 16 146.7 11.4
296 10 0 6 41.043 82.087 0.426 3.13 8 85.8 1.9
297 15 4 1 41.13 82.26 0.427 3.12 16 114.2 6.9
298 9 8 5 41.141 82.281 0.427 3.12 16 6.4 0.0
299 12 1 5 41.141 82.281 0.427 3.12 16 56.9 1.7
300 14 6 2 41.437 82.875 0.43 3.09 16 157.8 13.0
301 10 2 6 41.452 82.903 0.43 3.09 16 38.6 0.8
302 14 7 1 41.538 83.076 0.43 3.08 16 18.8 0.2
303 10 7 5 41.549 83.097 0.431 3.08 16 1.6 0.0
304 7 2 7 41.559 83.119 0.431 3.08 16 13.9 0.1
305 13 9 0 41.639 83.279 0.431 3.07 8 77.5 1.6
306 15 5 0 41.639 83.279 0.431 3.07 8 5.4 0.0
307 15 3 2 41.641 83.282 0.431 3.07 16 28.8 0.4
308 9 5 6 41.655 83.311 0.431 3.07 16 87.1 3.9
309 12 3 5 41.956 83.912 0.434 3.04 16 114.3 6.7
310 16 0 0 42.25 84.5 0.436 3.02 4 11.3 0.0
311 0 0 8 42.278 84.557 0.437 3.01 2 736.2 34.5
312 11 10 3 42.356 84.711 0.437 3.01 16 92.5 4.3
313 14 5 3 42.356 84.711 0.437 3.01 16 44.7 1.0
314 11 6 5 42.363 84.725 0.437 3.01 16 46.8 1.1
315 6 5 7 42.373 84.747 0.437 3.01 16 63.1 2.0
316 11 11 2 42.455 84.91 0.438 3.0 8 39.8 0.4
317 13 5 4 42.46 84.921 0.438 3.0 16 136.1 9.4
318 1 1 8 42.482 84.963 0.438 3.0 8 139.0 4.9
319 14 8 0 42.656 85.313 0.44 2.98 8 179.0 8.1
320 16 2 0 42.656 85.313 0.44 2.98 8 193.3 9.4
321 12 10 2 42.658 85.316 0.44 2.98 16 51.9 1.4
322 14 0 4 42.663 85.327 0.44 2.98 8 189.6 9.1
323 10 4 6 42.672 85.345 0.44 2.98 16 45.5 1.0
324 2 0 8 42.685 85.369 0.44 2.98 8 84.1 1.8
325 16 1 1 42.758 85.517 0.441 2.97 16 74.1 2.8
326 12 9 3 42.762 85.524 0.441 2.97 16 8.7 0.0
327 7 4 7 42.78 85.559 0.441 2.97 16 6.5 0.0
328 8 1 7 42.78 85.559 0.441 2.97 16 11.6 0.1
329 10 10 4 43.069 86.139 0.443 2.95 8 85.3 1.8
330 14 2 4 43.069 86.139 0.443 2.95 16 170.4 14.5
331 2 2 8 43.091 86.181 0.443 2.95 8 36.5 0.3
332 15 6 1 43.164 86.328 0.444 2.94 16 26.0 0.3
333 15 2 3 43.168 86.335 0.444 2.94 16 145.3 10.5
334 13 9 2 43.267 86.533 0.445 2.93 16 168.7 14.1
335 15 5 2 43.267 86.533 0.445 2.93 16 109.3 5.9
336 11 9 4 43.272 86.544 0.445 2.93 16 138.3 9.5
337 11 1 6 43.281 86.562 0.445 2.93 16 36.4 0.7
338 3 1 8 43.293 86.587 0.445 2.93 16 55.1 1.5
339 12 11 1 43.569 87.139 0.447 2.91 16 5.9 0.0
340 16 3 1 43.569 87.139 0.447 2.91 16 22.8 0.3
341 13 8 3 43.573 87.146 0.447 2.91 16 37.8 0.7
342 12 5 5 43.58 87.16 0.447 2.91 16 76.8 2.9
343 8 3 7 43.591 87.181 0.448 2.91 16 60.5 1.8
344 16 4 0 43.873 87.746 0.45 2.89 8 54.6 0.7
345 16 0 2 43.875 87.749 0.45 2.89 8 185.5 8.4
346 12 8 4 43.88 87.76 0.45 2.89 16 140.2 9.6
347 8 8 6 43.889 87.777 0.45 2.89 8 158.7 6.2
348 4 0 8 43.901 87.802 0.45 2.89 8 16.6 0.1
349 13 10 1 43.974 87.949 0.451 2.89 16 6.0 0.0
350 13 2 5 43.985 87.97 0.451 2.89 16 47.9 1.1
351 15 7 0 44.075 88.151 0.452 2.88 8 60.2 0.9
352 9 7 6 44.091 88.182 0.452 2.88 16 119.7 7.0
353 11 3 6 44.091 88.182 0.452 2.88 16 271.6 35.9
354 3 3 8 44.104 88.207 0.452 2.88 8 10.5 0.0
355 14 8 2 44.28 88.559 0.453 2.87 16 166.2 13.4
356 16 2 2 44.28 88.559 0.453 2.87 16 175.9 15.0
357 14 4 4 44.285 88.57 0.453 2.87 16 12.4 0.1
358 4 2 8 44.306 88.612 0.453 2.87 16 1.0 0.0
359 15 4 3 44.383 88.766 0.454 2.86 16 53.3 1.4
360 10 6 6 44.698 89.397 0.457 2.84 16 23.9 0.3
361 14 9 1 44.784 89.568 0.457 2.84 16 70.3 2.4
362 14 7 3 44.788 89.575 0.457 2.84 16 215.1 22.2
363 10 9 5 44.795 89.59 0.457 2.84 16 28.0 0.4
364 7 6 7 44.805 89.611 0.457 2.84 16 125.1 7.5
365 9 2 7 44.805 89.611 0.457 2.84 16 58.4 1.6
366 13 7 4 44.892 89.784 0.458 2.83 16 63.4 1.9
367 5 1 8 44.913 89.826 0.458 2.83 16 43.2 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 3.407 6.814 12.96127 1942.1 100.0 100.0 5.5
2 2 0 0 4.821 9.642 9.165 658.2 33.9 33.8 5.6
3 2 2 0 6.826 13.652 6.48063 51.5 2.6 2.6 5.6
4 2 1 1 7.244 14.488 6.10852 471.5 24.3 24.2 5.6
5 3 1 0 7.637 15.273 5.79645 112.0 5.8 5.7 5.6
6 1 1 2 10.275 20.55 4.31833 94.1 4.8 4.8 5.6
7 2 0 2 10.837 21.674 4.09692 99.3 5.1 5.1 5.6
8 2 2 2 11.885 23.77 3.74023 87.7 4.5 4.5 5.6
9 3 1 2 12.377 24.755 3.5936 453.6 23.4 23.1 5.6
10 4 3 1 13.08 26.161 3.40354 540.4 27.8 27.5 5.6
11 4 0 2 13.756 27.511 3.23943 102.5 5.3 5.2 5.6
12 5 2 1 13.97 27.941 3.19063 281.0 14.5 14.3 5.6
13 5 3 0 14.184 28.368 3.14357 307.7 15.8 15.6 5.6
14 6 2 0 15.413 30.826 2.89823 106.9 5.5 5.4 5.6
15 2 1 3 15.617 31.234 2.86129 217.8 11.2 11.0 5.6
16 5 1 2 15.807 31.614 2.82779 254.0 13.1 12.9 5.6
17 4 4 2 16.93 33.859 2.64523 166.2 8.6 8.4 5.7
18 6 3 1 17.108 34.216 2.61845 35.1 1.8 1.8 5.7
19 5 5 0 17.286 34.573 2.59225 68.9 3.5 3.5 5.7
20 6 0 2 17.643 35.286 2.54149 220.2 11.3 11.1 5.7
21 4 1 3 17.821 35.642 2.51689 27.5 1.4 1.4 5.7
22 6 2 2 18.332 36.664 2.44907 111.1 5.7 5.6 5.7
23 4 3 3 19.167 38.333 2.34616 60.7 3.1 3.1 5.7
24 0 0 4 19.656 39.311 2.29 152.2 7.8 7.7 5.7
25 6 5 1 19.804 39.609 2.27348 50.1 2.6 2.5 5.7
26 1 1 4 19.973 39.946 2.25507 43.2 2.2 2.2 5.7
27 8 2 0 20.275 40.55 2.22284 62.6 3.2 3.1 5.7
28 6 6 0 20.89 41.78 2.16021 40.8 2.1 2.0 5.7
29 7 3 2 21.195 42.389 2.13057 54.3 2.8 2.7 5.7
30 8 0 2 22.08 44.161 2.04913 92.2 4.7 4.6 5.7
31 9 1 0 22.367 44.733 2.02421 49.5 2.5 2.5 5.7
32 7 6 1 23.357 46.713 1.94293 51.1 2.6 2.6 5.7
33 9 3 0 23.495 46.989 1.93215 137.0 7.1 6.8 5.7
34 6 5 3 24.454 48.908 1.86075 20.2 1.0 1.0 5.7
35 5 3 4 24.592 49.184 1.85095 241.2 12.4 12.0 5.7
36 8 6 0 24.849 49.698 1.833 41.3 2.1 2.1 5.7
37 8 1 3 24.987 49.973 1.82355 85.2 4.4 4.2 5.7
38 6 2 4 25.385 50.77 1.7968 111.3 5.7 5.5 5.8
39 10 3 1 26.533 53.067 1.72431 39.4 2.0 2.0 5.8
40 5 5 4 26.668 53.336 1.71624 118.2 6.1 5.8 5.8
41 8 6 2 26.913 53.826 1.70177 80.0 4.1 4.0 5.8
42 7 3 4 27.664 55.329 1.65905 31.7 1.6 1.6 5.8
43 8 4 4 30.291 60.583 1.52713 60.5 3.1 3.0 5.8
44 9 1 4 30.523 61.046 1.51664 103.1 5.3 5.0 5.8
45 9 6 3 31.323 62.646 1.4817 28.0 1.4 1.4 5.8
46 9 3 4 31.44 62.88 1.47674 103.1 5.3 5.0 5.9
47 4 0 6 32.128 64.256 1.4484 41.1 2.1 2.0 5.9
48 11 2 3 32.227 64.454 1.44443 21.7 1.1 1.1 5.9
49 3 3 6 32.352 64.705 1.43944 42.4 2.2 2.1 5.9
50 4 2 6 32.576 65.151 1.43065 33.5 1.7 1.6 5.9
51 5 1 6 33.241 66.482 1.4052 55.2 2.8 2.7 5.9
52 11 4 3 33.558 67.117 1.39345 33.6 1.7 1.6 5.9
53 12 4 2 33.885 67.77 1.38161 44.3 2.3 2.1 5.9
54 9 9 2 34.103 68.206 1.37382 103.4 5.3 5.0 5.9
55 6 0 6 34.336 68.672 1.36564 81.9 4.2 4.0 5.9
56 6 2 6 34.769 69.538 1.35073 25.0 1.3 1.2 5.9
57 13 1 2 34.97 69.939 1.34396 26.7 1.4 1.3 5.9
58 11 3 4 35.832 71.665 1.31578 69.0 3.6 3.3 5.9
59 12 5 3 36.994 73.988 1.2801 27.7 1.4 1.3 6.0
60 8 2 6 37.741 75.482 1.25844 78.5 4.0 3.7 6.0
61 4 3 7 38.684 77.367 1.23241 51.0 2.6 2.4 6.0
62 5 2 7 39.098 78.195 1.22142 20.2 1.0 1.0 6.0
63 9 1 6 39.195 78.39 1.21887 23.5 1.2 1.1 6.0
64 14 4 2 39.387 78.774 1.21389 35.3 1.8 1.7 6.0
65 8 6 6 41.043 82.087 1.17308 26.1 1.3 1.2 6.1
66 0 0 8 42.278 84.557 1.145 34.5 1.8 1.6 6.1
67 14 0 4 42.663 85.327 1.13663 30.7 1.6 1.4 6.1
68 13 9 2 43.267 86.533 1.12385 31.7 1.6 1.5 6.1
69 12 8 4 43.88 87.76 1.11128 24.2 1.2 1.1 6.2
70 11 3 6 44.091 88.182 1.10704 42.8 2.2 2.0 6.2
71 16 2 2 44.28 88.559 1.1033 28.4 1.5 1.3 6.2
72 7 6 7 44.805 89.611 1.09306 34.1 1.8 1.6 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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