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 ***
***********************
SAHAMALITE_CE
1, f-burbankite
(Mg,Fe)(Ce,La)(2)[CO(3)](4)
Monoclinic P 2(1)/a Z = 2
R =0.043 NR =1453
18 .6 .1997
Ref.Str.:
Pertlik F., Preisinger A. (1983)
* Tschermaks Min. Petr. Mitt., 31, 39-46
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.894 alpha = 90.0
b = 16.116 beta = 106.54
c = 4.612 gamma = 90.0
Unit cell volume (cub. angs.) = 419.96
Molar volume ( cub.cm/mol.) = 126.48
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Mg = 0.86, Fe = 0.14
2 0.0817 0.3459 0.3051 0.0 Ce = 0.5 , La = 0.5
3 0.3084 0.0463 0.612 0.0 C = 1.00
4 0.5228 0.3115 0.8183 0.0 C = 1.00
5 0.2825 0.0454 0.3273 0.0 O = 1.00
6 0.4182 0.1072 0.7634 0.0 O = 1.00
7 0.2273 0.9855 0.7392 0.0 O = 1.00
8 0.6813 0.2787 0.0429 0.0 O = 1.00
9 0.0286 0.7784 0.4454 0.0 O = 1.00
10 0.0943 0.8769 0.1511 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 0.0
2 2 0.0817 0.3459 0.3051
3 3 0.3084 0.0463 0.612
4 4 0.5228 0.3115 0.8183
5 5 0.2825 0.0454 0.3273
6 6 0.4182 0.1072 0.7634
7 7 0.2273 0.9855 0.7392
8 8 0.6813 0.2787 0.0429
9 9 0.0286 0.7784 0.4454
10 10 0.0943 0.8769 0.1511
11 2 0.9183 0.6541 0.6949
12 3 0.6916 0.9537 0.388
13 4 0.4772 0.6885 0.1817
14 5 0.7175 0.9546 0.6727
15 6 0.5818 0.8928 0.2366
16 7 0.7727 0.0145 0.2608
17 8 0.3187 0.7213 0.9571
18 9 0.9714 0.2216 0.5546
19 10 0.9057 0.1231 0.8489
20 1 0.5 0.5 0.0
21 2 0.5817 0.1541 0.3051
22 3 0.8084 0.4537 0.612
23 4 0.0228 0.1885 0.8183
24 5 0.7825 0.4546 0.3273
25 6 0.9182 0.3928 0.7634
26 7 0.7273 0.5145 0.7392
27 8 0.1813 0.2213 0.0429
28 9 0.5286 0.7216 0.4454
29 10 0.5943 0.6231 0.1511
30 2 0.4183 0.8459 0.6949
31 3 0.1916 0.5463 0.388
32 4 0.9772 0.8115 0.1817
33 5 0.2175 0.5454 0.6727
34 6 0.0818 0.6072 0.2366
35 7 0.2727 0.4855 0.2608
36 8 0.8187 0.7787 0.9571
37 9 0.4714 0.2784 0.5546
38 10 0.4057 0.3769 0.8489
X-ray density (g/cm cub.) = 4.33
MU (1/cm) = 822.727 Mass attenuation coefficient (cm**2/g) = 189.984
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 6
2.0385 5
2.0527 7
2.1236 10
2.0385 5
2.0527 7
2.1236 10
2 Ce ,La 2.88 9
2.565 8
2.4867 9
2.5088 5
2.6699 6
2.5242 6
2.4983 8
2.5502 7
2.5053 9
2.7312 10
3 C 1.872 3
1.2781 5
1.2698 6
1.3009 7
4 C 1.872 3
1.2939 8
1.2828 9
1.2894 10
5 O 3.264 11
2.182 6
3.0951 6
2.2357 7
2.8093 7
2.9583 10
2.9878 5
3.1233 6
3.0322 7
2.9742 7
2.9289 10
3.1092 8
6 O 3.264 11
3.0951 5
2.182 5
2.248 7
3.2507 8
3.1233 5
3.0218 7
3.1333 9
2.7986 10
3.166 10
2.8315 8
2.9682 9
7 O 3.264 10
2.8093 5
2.2357 5
2.248 6
2.8521 10
3.1343 10
3.0322 5
2.9742 5
3.0218 6
2.9833 7
3.0516 10
8 O 3.264 10
3.2507 6
2.6537 9
3.0841 10
3.1092 5
2.8315 6
3.0888 8
3.0888 8
2.9601 9
2.2396 9
2.2619 10
9 O 3.264 8
2.1935 10
3.1333 6
2.6537 8
3.0859 9
3.0859 9
2.9682 6
2.9601 8
2.2396 8
10 O 3.264 10
2.9583 5
3.1343 7
2.8521 7
2.1935 9
2.9289 5
2.7986 6
3.166 6
3.0516 7
3.0841 8
2.2619 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 0 2 0 5.485 10.971 0.062 215.9 2 41.1 412.9
2 1 1 0 8.306 16.613 0.094 92.89 4 72.1 1094.6
3 1 2 0 9.585 19.169 0.108 69.22 4 64.5 652.1
4 0 0 1 10.034 20.067 0.113 62.97 2 45.9 150.6
5 0 1 1 10.408 20.817 0.117 58.37 4 107.4 1527.2
6 0 4 0 11.022 22.044 0.124 51.82 2 87.6 450.6
7 1 1 -1 11.196 22.392 0.126 50.15 4 4.4 2.2
8 1 3 0 11.411 22.823 0.128 48.2 4 142.1 2208.7
9 0 2 1 11.463 22.925 0.129 47.75 4 17.2 32.1
10 1 2 -1 12.186 24.371 0.137 42.01 4 175.1 2919.9
11 0 3 1 13.041 26.081 0.146 36.42 4 26.5 57.8
12 1 4 0 13.581 27.161 0.152 33.43 4 80.3 488.6
13 1 3 -1 13.686 27.371 0.154 32.89 4 28.8 61.7
14 1 1 1 14.741 29.483 0.165 28.07 4 129.1 1061.3
15 0 4 1 14.991 29.981 0.168 27.08 4 41.0 103.2
16 1 2 1 15.521 31.041 0.174 25.14 4 127.8 930.9
17 1 4 -1 15.561 31.123 0.174 24.99 4 184.6 1930.8
18 2 0 0 15.823 31.645 0.177 24.11 2 101.8 283.5
19 1 5 0 15.97 31.94 0.179 23.64 4 49.0 128.6
20 2 1 0 16.07 32.141 0.18 23.32 4 106.6 600.6
21 2 0 -1 16.18 32.36 0.181 22.98 2 165.6 714.2
22 2 1 -1 16.423 32.846 0.184 22.25 4 53.2 143.0
23 0 6 0 16.665 33.33 0.186 21.55 2 166.4 676.4
24 1 3 1 16.747 33.493 0.187 21.33 4 94.3 430.4
25 2 2 0 16.794 33.588 0.188 21.2 4 75.5 274.2
26 2 2 -1 17.133 34.267 0.191 20.29 4 19.3 17.2
27 0 5 1 17.202 34.405 0.192 20.12 4 123.3 693.5
28 1 5 -1 17.709 35.418 0.197 18.88 4 4.5 0.9
29 2 3 0 17.943 35.885 0.2 18.35 4 23.1 22.2
30 2 3 -1 18.263 36.527 0.203 17.65 4 39.0 61.0
31 1 4 1 18.341 36.681 0.204 17.48 4 66.0 172.7
32 1 6 0 18.514 37.027 0.206 17.13 4 81.6 258.4
33 2 4 0 19.451 38.903 0.216 15.36 4 90.6 285.7
34 0 6 1 19.606 39.212 0.218 15.09 4 28.0 26.7
35 2 4 -1 19.751 39.503 0.219 14.84 4 115.4 448.5
36 1 1 -2 19.845 39.689 0.22 14.69 4 130.3 565.7
37 1 6 -1 20.06 40.121 0.223 14.34 4 55.9 101.8
38 1 5 1 20.23 40.461 0.224 14.07 4 38.0 46.1
39 0 0 2 20.393 40.785 0.226 13.82 2 142.3 317.7
40 1 2 -2 20.452 40.904 0.227 13.73 4 17.0 9.0
41 0 1 2 20.592 41.184 0.228 13.53 4 91.5 256.8
42 1 7 0 21.179 42.358 0.235 12.7 4 123.8 441.2
43 0 2 2 21.182 42.363 0.235 12.7 4 7.7 1.7
44 2 5 0 21.258 42.516 0.235 12.6 4 139.9 559.5
45 2 0 1 21.283 42.565 0.236 12.56 2 175.6 439.2
46 1 3 -2 21.432 42.864 0.237 12.37 4 159.1 709.7
47 2 1 1 21.475 42.951 0.238 12.31 4 8.5 2.0
48 2 5 -1 21.537 43.074 0.238 12.23 4 173.0 830.7
49 2 2 1 22.046 44.091 0.244 11.61 4 122.5 395.2
50 2 0 -2 22.11 44.22 0.244 11.53 2 105.1 144.4
51 0 3 2 22.136 44.271 0.245 11.5 4 60.9 96.9
52 0 7 1 22.161 44.323 0.245 11.47 4 116.6 353.9
53 2 1 -2 22.297 44.594 0.246 11.32 4 16.1 6.6
54 1 6 1 22.359 44.717 0.247 11.25 4 45.2 52.2
55 0 8 0 22.48 44.961 0.248 11.11 2 55.1 38.3
56 1 7 -1 22.574 45.147 0.249 11.01 4 12.0 3.6
57 1 4 -2 22.747 45.494 0.251 10.82 4 9.4 2.2
58 2 2 -2 22.851 45.702 0.252 10.71 4 98.6 235.9
59 2 3 1 22.971 45.942 0.253 10.58 4 25.6 15.7
60 2 6 0 23.31 46.62 0.257 10.23 4 79.7 147.4
61 0 4 2 23.419 46.838 0.258 10.13 4 135.8 423.3
62 3 1 -1 23.527 47.053 0.259 10.02 4 81.7 151.7
63 2 6 -1 23.57 47.139 0.26 9.98 4 103.0 240.4
64 2 3 -2 23.752 47.503 0.261 9.81 4 6.7 1.0
65 1 8 0 23.95 47.901 0.264 9.62 4 88.5 170.9
66 3 2 -1 24.058 48.117 0.265 9.53 4 60.5 79.2
67 2 4 1 24.22 48.44 0.266 9.38 4 145.1 448.3
68 1 1 2 24.299 48.599 0.267 9.31 4 54.7 63.1
69 3 1 0 24.316 48.633 0.267 9.3 4 28.2 16.8
70 1 5 -2 24.355 48.711 0.268 9.26 4 33.7 23.8
71 1 7 1 24.684 49.368 0.271 8.99 4 151.4 467.2
72 1 2 2 24.819 49.638 0.272 8.88 4 121.7 298.0
73 3 2 0 24.835 49.671 0.273 8.86 4 156.6 493.1
74 0 8 1 24.847 49.693 0.273 8.85 4 29.7 17.7
75 3 3 -1 24.926 49.852 0.274 8.79 4 177.0 624.6
76 2 4 -2 24.971 49.942 0.274 8.75 4 145.0 417.5
77 0 5 2 24.994 49.989 0.274 8.73 4 122.2 295.9
78 1 8 -1 25.225 50.45 0.277 8.55 4 129.5 325.4
79 2 7 0 25.569 51.139 0.28 8.29 4 75.9 108.4
80 1 3 2 25.667 51.334 0.281 8.22 4 35.8 24.0
81 3 3 0 25.683 51.367 0.281 8.21 4 23.2 10.0
82 2 5 1 25.758 51.517 0.282 8.16 4 16.6 5.1
83 2 7 -1 25.812 51.624 0.283 8.12 4 34.5 21.9
84 3 4 -1 26.104 52.209 0.286 7.91 4 48.3 41.8
85 1 6 -2 26.219 52.439 0.287 7.83 4 8.4 1.3
86 2 5 -2 26.477 52.955 0.289 7.66 4 36.7 23.4
87 1 4 2 26.822 53.644 0.293 7.44 4 108.3 198.0
88 1 9 0 26.824 53.648 0.293 7.44 4 143.5 347.2
89 0 6 2 26.826 53.652 0.293 7.44 4 107.2 193.9
90 3 4 0 26.838 53.676 0.293 7.43 4 101.7 174.4
91 1 8 1 27.181 54.362 0.297 7.22 4 131.5 283.1
92 3 1 -2 27.263 54.526 0.297 7.17 4 86.7 122.2
93 2 6 1 27.554 55.108 0.3 7.0 4 83.9 111.7
94 3 5 -1 27.567 55.134 0.3 6.99 4 3.0 0.1
95 0 9 1 27.652 55.305 0.301 6.94 4 113.0 200.9
96 3 2 -2 27.742 55.485 0.302 6.89 4 91.0 129.3
97 1 9 -1 28.004 56.007 0.305 6.74 4 13.3 2.7
98 2 8 0 28.01 56.02 0.305 6.74 4 31.5 15.2
99 2 8 -1 28.238 56.476 0.307 6.62 4 37.9 21.5
100 2 6 -2 28.241 56.483 0.307 6.62 4 101.0 153.0
101 1 5 2 28.259 56.518 0.307 6.61 4 20.7 6.4
102 3 5 0 28.274 56.548 0.307 6.6 4 22.9 7.9
103 1 7 -2 28.309 56.619 0.308 6.58 4 130.8 255.2
104 3 3 -2 28.529 57.058 0.31 6.47 4 69.0 69.8
105 0 10 0 28.552 57.104 0.31 6.45 2 111.2 90.5
106 0 7 2 28.886 57.772 0.314 6.29 4 47.9 32.7
107 3 6 -1 29.287 58.573 0.318 6.09 4 13.2 2.4
108 3 1 1 29.366 58.733 0.318 6.06 4 80.1 88.1
109 2 7 1 29.58 59.161 0.32 5.96 4 14.5 2.8
110 3 4 -2 29.608 59.216 0.321 5.95 4 77.6 81.2
111 1 10 0 29.803 59.606 0.323 5.86 4 17.5 4.1
112 3 2 1 29.823 59.647 0.323 5.85 4 36.8 18.0
113 1 9 1 29.835 59.669 0.323 5.85 4 62.1 51.1
114 1 6 2 29.953 59.906 0.324 5.79 4 34.7 15.8
115 3 6 0 29.968 59.936 0.324 5.79 4 52.4 36.0
116 2 0 2 29.991 59.981 0.324 5.78 2 31.2 6.4
117 2 1 2 30.141 60.283 0.326 5.71 4 107.9 151.0
118 1 1 -3 30.23 60.461 0.327 5.68 4 23.1 6.9
119 2 7 -2 30.238 60.476 0.327 5.67 4 41.2 21.8
120 3 3 1 30.576 61.152 0.33 5.53 4 120.7 182.8
121 0 10 1 30.579 61.158 0.33 5.53 4 82.5 85.4
122 2 2 2 30.592 61.183 0.33 5.53 4 29.2 10.7
123 1 8 -2 30.603 61.205 0.33 5.52 4 11.8 1.7
124 2 9 0 30.617 61.234 0.331 5.52 4 62.5 48.9
125 1 2 -3 30.68 61.359 0.331 5.49 4 82.4 84.5
126 2 9 -1 30.833 61.666 0.333 5.43 4 67.4 56.0
127 1 10 -1 30.909 61.818 0.333 5.4 4 28.2 9.7
128 3 5 -2 30.961 61.922 0.334 5.38 4 9.0 1.0
129 2 0 -3 31.073 62.146 0.335 5.34 2 16.2 1.6
130 0 8 2 31.153 62.306 0.336 5.31 4 6.5 0.5
131 2 1 -3 31.221 62.442 0.336 5.28 4 144.2 249.3
132 3 7 -1 31.242 62.483 0.337 5.28 4 53.0 33.6
133 2 3 2 31.333 62.667 0.338 5.24 4 21.9 5.7
134 1 3 -3 31.42 62.841 0.338 5.21 4 96.5 110.1
135 0 0 3 31.512 63.024 0.339 5.18 2 138.0 111.8
136 4 0 -1 31.54 63.081 0.34 5.17 2 163.4 156.4
137 3 4 1 31.612 63.224 0.34 5.14 4 12.8 1.9
138 0 1 3 31.659 63.317 0.341 5.12 4 57.4 38.3
139 2 2 -3 31.662 63.324 0.341 5.12 4 11.0 1.4
140 4 1 -1 31.687 63.374 0.341 5.11 4 2.0 0.0
141 2 8 1 31.817 63.634 0.342 5.07 4 27.6 8.8
142 1 7 2 31.884 63.767 0.343 5.05 4 40.2 18.5
143 3 7 0 31.898 63.795 0.343 5.04 4 3.3 0.1
144 0 2 3 32.096 64.193 0.345 4.97 4 6.3 0.4
145 4 2 -1 32.125 64.249 0.345 4.96 4 13.0 1.9
146 2 4 2 32.356 64.711 0.347 4.89 4 38.3 16.2
147 2 3 -3 32.39 64.78 0.348 4.88 4 1.7 0.0
148 1 4 -3 32.441 64.882 0.348 4.86 4 91.9 93.2
149 2 8 -2 32.448 64.896 0.348 4.86 4 24.8 6.8
150 3 6 -2 32.569 65.139 0.349 4.82 4 46.8 23.9
151 1 10 1 32.64 65.28 0.35 4.8 4 30.2 9.9
152 0 3 3 32.819 65.638 0.352 4.74 4 17.4 3.3
153 4 3 -1 32.847 65.694 0.352 4.73 4 33.6 12.1
154 1 11 0 32.898 65.796 0.353 4.72 4 41.3 18.2
155 3 5 1 32.917 65.834 0.353 4.71 4 4.1 0.2
156 4 0 0 33.047 66.093 0.354 4.67 2 27.9 4.1
157 1 9 -2 33.086 66.171 0.354 4.66 4 51.0 27.5
158 4 1 0 33.19 66.379 0.355 4.63 4 75.4 59.7
159 2 10 0 33.385 66.77 0.357 4.57 4 29.8 9.2
160 2 4 -3 33.395 66.789 0.357 4.57 4 23.5 5.7
161 3 8 -1 33.414 66.829 0.357 4.56 4 48.2 24.0
162 2 10 -1 33.591 67.182 0.359 4.51 4 70.1 50.3
163 0 9 2 33.613 67.227 0.359 4.51 4 63.4 41.1
164 4 2 0 33.617 67.233 0.359 4.5 4 44.4 20.2
165 0 11 1 33.633 67.266 0.36 4.5 4 136.4 189.8
166 2 5 2 33.645 67.29 0.36 4.5 4 151.6 234.2
167 1 5 -3 33.729 67.458 0.36 4.47 4 13.7 1.9
168 0 4 3 33.817 67.634 0.361 4.45 4 45.6 21.0
169 4 4 -1 33.845 67.689 0.362 4.44 4 102.8 106.4
170 4 0 -2 33.87 67.741 0.362 4.43 2 24.7 3.1
171 1 11 -1 33.947 67.894 0.362 4.41 4 0.3 0.0
172 4 1 -2 34.012 68.023 0.363 4.4 4 130.3 169.2
173 1 8 2 34.035 68.069 0.363 4.39 4 116.9 136.0
174 3 8 0 34.048 68.097 0.363 4.39 4 139.5 193.5
175 2 9 1 34.252 68.505 0.365 4.33 4 8.1 0.6
176 4 3 0 34.323 68.646 0.366 4.31 4 44.0 19.0
177 3 7 -2 34.418 68.837 0.367 4.29 4 117.9 135.1
178 4 2 -2 34.434 68.868 0.367 4.28 4 23.4 5.3
179 3 6 1 34.477 68.954 0.367 4.27 4 16.5 2.7
180 3 1 -3 34.513 69.027 0.368 4.26 4 65.7 41.7
181 2 5 -3 34.665 69.33 0.369 4.23 4 146.7 206.2
182 2 9 -2 34.861 69.721 0.371 4.18 4 30.9 9.0
183 3 2 -3 34.933 69.866 0.372 4.16 4 103.5 101.2
184 0 12 0 34.998 69.997 0.372 4.15 2 49.7 11.6
185 0 5 3 35.08 70.16 0.373 4.13 4 52.1 25.4
186 4 5 -1 35.107 70.214 0.373 4.12 4 34.5 11.1
187 4 3 -2 35.132 70.265 0.374 4.11 4 6.8 0.4
188 2 6 2 35.189 70.378 0.374 4.1 4 46.3 19.9
189 1 6 -3 35.271 70.543 0.375 4.08 4 61.5 35.0
190 4 4 0 35.3 70.601 0.375 4.07 4 97.8 88.4
191 1 1 3 35.343 70.687 0.375 4.06 4 87.6 70.7
192 1 11 1 35.601 71.202 0.378 4.01 4 6.4 0.4
193 3 3 -3 35.627 71.254 0.378 4.0 4 48.7 21.5
194 1 10 -2 35.753 71.507 0.379 3.97 4 17.5 2.8
195 1 2 3 35.758 71.517 0.379 3.97 4 5.3 0.3
196 3 9 -1 35.795 71.591 0.38 3.96 4 105.6 100.2
197 4 4 -2 36.1 72.2 0.382 3.9 4 0.4 0.0
198 1 12 0 36.124 72.248 0.383 3.89 4 34.9 10.7
199 2 6 -3 36.189 72.378 0.383 3.88 4 22.2 4.3
200 0 10 2 36.263 72.526 0.384 3.86 4 101.8 90.9
201 3 7 1 36.279 72.559 0.384 3.86 4 131.9 152.2
202 2 11 0 36.317 72.634 0.384 3.85 4 127.3 141.6
203 1 9 2 36.397 72.794 0.385 3.84 4 11.8 1.2
204 3 9 0 36.41 72.82 0.385 3.83 4 4.1 0.1
205 1 3 3 36.446 72.891 0.386 3.83 4 160.2 222.9
206 3 8 -2 36.496 72.993 0.386 3.82 4 113.5 111.6
207 2 11 -1 36.515 73.031 0.386 3.81 4 122.8 130.4
208 4 5 0 36.54 73.08 0.386 3.81 4 103.9 93.2
209 3 4 -3 36.589 73.178 0.387 3.8 4 64.9 36.3
210 0 6 3 36.597 73.194 0.387 3.8 4 114.1 112.2
211 4 6 -1 36.623 73.247 0.387 3.79 4 136.7 160.7
212 0 12 1 36.829 73.658 0.389 3.75 4 8.9 0.7
213 2 10 1 36.881 73.763 0.39 3.74 4 122.6 127.6
214 2 7 2 36.977 73.954 0.39 3.72 4 72.6 44.5
215 1 7 -3 37.057 74.115 0.391 3.71 4 37.9 12.1
216 1 12 -1 37.131 74.262 0.392 3.7 4 118.8 118.3
217 4 5 -2 37.329 74.658 0.394 3.66 4 116.1 111.9
218 1 4 3 37.4 74.799 0.394 3.65 4 6.2 0.3
219 2 10 -2 37.472 74.943 0.395 3.63 4 132.2 144.1
220 3 1 2 37.591 75.181 0.396 3.61 4 38.2 12.0
221 3 5 -3 37.812 75.624 0.398 3.58 4 16.0 2.1
222 2 7 -3 37.958 75.916 0.399 3.55 4 25.9 5.4
223 3 2 2 37.996 75.992 0.4 3.54 4 85.4 58.6
224 4 6 0 38.034 76.068 0.4 3.54 4 27.4 6.0
225 4 0 1 38.164 76.329 0.401 3.52 2 115.6 53.3
226 4 1 1 38.299 76.598 0.402 3.5 4 86.9 59.9
227 3 8 1 38.316 76.633 0.402 3.49 4 47.2 17.7
228 0 7 3 38.359 76.718 0.403 3.49 4 52.5 21.8
229 3 10 -1 38.381 76.762 0.403 3.48 4 12.5 1.2
230 4 7 -1 38.385 76.77 0.403 3.48 4 9.6 0.7
231 1 11 -2 38.609 77.218 0.405 3.45 4 46.8 17.1
232 1 5 3 38.614 77.228 0.405 3.45 4 17.6 2.4
233 3 3 2 38.669 77.337 0.406 3.44 4 100.1 78.1
234 4 2 1 38.702 77.404 0.406 3.43 4 34.6 9.3
235 1 12 1 38.729 77.458 0.406 3.43 4 69.1 37.1
236 3 9 -2 38.797 77.595 0.407 3.42 4 48.0 17.8
237 4 6 -2 38.812 77.625 0.407 3.42 4 26.5 5.5
238 1 10 2 38.968 77.936 0.408 3.39 4 11.3 1.0
239 3 10 0 38.981 77.962 0.408 3.39 4 20.8 3.3
240 2 8 2 39.001 78.002 0.409 3.39 4 6.7 0.3
241 1 8 -3 39.08 78.16 0.409 3.38 4 125.3 120.3
242 0 11 2 39.105 78.21 0.409 3.37 4 68.5 35.9
243 3 6 -3 39.289 78.579 0.411 3.35 4 49.5 18.6
244 4 3 1 39.371 78.742 0.412 3.34 4 8.7 0.6
245 2 12 0 39.425 78.849 0.412 3.33 4 56.1 23.7
246 1 13 0 39.504 79.007 0.413 3.32 4 88.9 59.5
247 3 4 2 39.604 79.209 0.414 3.31 4 59.1 26.2
248 2 12 -1 39.618 79.235 0.414 3.3 4 46.5 16.2
249 2 11 1 39.708 79.416 0.415 3.29 4 47.6 16.9
250 4 0 -3 39.715 79.43 0.415 3.29 2 110.0 45.2
251 4 7 0 39.775 79.55 0.415 3.28 4 99.2 73.2
252 4 1 -3 39.848 79.696 0.416 3.27 4 69.2 35.5
253 2 8 -3 39.966 79.933 0.417 3.26 4 18.7 2.6
254 1 6 3 40.082 80.164 0.418 3.24 4 22.3 3.7
255 0 13 1 40.189 80.378 0.419 3.23 4 7.7 0.4
256 4 2 -3 40.247 80.493 0.419 3.22 4 58.7 25.2
257 2 11 -2 40.285 80.571 0.42 3.22 4 59.2 25.6
258 4 4 1 40.302 80.604 0.42 3.22 4 83.1 50.4
259 0 8 3 40.362 80.723 0.42 3.21 4 11.9 1.0
260 4 8 -1 40.387 80.774 0.421 3.21 4 40.4 11.9
261 1 13 -1 40.483 80.966 0.421 3.2 4 26.8 5.2
262 4 7 -2 40.544 81.088 0.422 3.19 4 57.5 23.9
263 3 9 1 40.584 81.169 0.422 3.18 4 103.5 77.4
264 3 5 2 40.799 81.598 0.424 3.16 4 13.9 1.4
265 2 0 3 40.9 81.799 0.425 3.15 2 75.6 20.4
266 4 3 -3 40.909 81.818 0.425 3.15 4 38.0 10.3
267 5 1 -1 40.957 81.914 0.425 3.14 4 44.6 14.2
268 3 7 -3 41.016 82.032 0.426 3.14 4 68.2 33.1
269 2 1 3 41.032 82.063 0.426 3.13 4 55.4 21.8
270 3 11 -1 41.177 82.354 0.427 3.12 4 81.0 46.4
271 2 9 2 41.259 82.519 0.428 3.11 4 71.8 36.3
272 3 10 -2 41.323 82.645 0.429 3.1 4 44.8 14.1
273 1 9 -3 41.337 82.674 0.429 3.1 4 90.2 57.2
274 5 2 -1 41.353 82.706 0.429 3.1 4 66.5 31.1
275 2 2 3 41.428 82.856 0.43 3.09 4 20.8 3.0
276 4 5 1 41.492 82.985 0.43 3.09 4 88.4 54.7
277 1 12 -2 41.665 83.329 0.432 3.07 4 30.7 6.6
278 1 11 2 41.754 83.508 0.432 3.06 4 7.8 0.4
279 4 8 0 41.76 83.521 0.432 3.06 4 7.7 0.4
280 3 11 0 41.767 83.534 0.432 3.06 4 7.6 0.4
281 1 7 3 41.801 83.602 0.433 3.06 4 100.5 70.1
282 4 4 -3 41.833 83.665 0.433 3.05 4 82.2 46.8
283 0 14 0 42.001 84.002 0.434 3.04 2 74.4 19.0
284 5 3 -1 42.012 84.024 0.434 3.04 4 118.7 97.1
285 1 13 1 42.046 84.092 0.435 3.03 4 100.7 69.8
286 2 3 3 42.087 84.173 0.435 3.03 4 34.8 8.3
287 0 12 2 42.152 84.305 0.436 3.02 4 47.0 15.1
288 2 9 -3 42.213 84.426 0.436 3.02 4 77.7 41.3
289 2 0 -4 42.236 84.471 0.436 3.02 2 119.5 48.8
290 3 6 2 42.25 84.5 0.436 3.02 4 52.4 18.7
291 1 1 -4 42.271 84.543 0.437 3.01 4 30.4 6.3
292 5 1 -2 42.31 84.619 0.437 3.01 4 22.3 3.4
293 2 1 -4 42.367 84.734 0.437 3.01 4 41.6 11.8
294 4 8 -2 42.522 85.044 0.439 2.99 4 25.7 4.5
295 0 9 3 42.604 85.208 0.439 2.99 4 59.5 24.0
296 4 9 -1 42.63 85.259 0.44 2.98 4 16.3 1.8
297 1 2 -4 42.666 85.331 0.44 2.98 4 82.1 45.5
298 5 2 -2 42.704 85.407 0.44 2.98 4 90.6 55.4
299 2 13 0 42.73 85.459 0.44 2.98 4 2.5 0.0
300 2 12 1 42.746 85.493 0.441 2.97 4 47.4 15.1
301 2 2 -4 42.761 85.522 0.441 2.97 4 39.2 10.4
302 2 13 -1 42.92 85.839 0.442 2.96 4 3.3 0.1
303 5 4 -1 42.932 85.864 0.442 2.96 4 45.8 14.1
304 4 6 1 42.939 85.878 0.442 2.96 4 51.0 17.5
305 3 8 -3 42.99 85.981 0.443 2.95 4 128.9 111.4
306 2 4 3 43.006 86.012 0.443 2.95 4 95.2 60.7
307 4 5 -3 43.015 86.031 0.443 2.95 4 47.9 15.4
308 1 14 0 43.07 86.14 0.443 2.95 4 65.4 28.6
309 3 10 1 43.087 86.175 0.443 2.95 4 15.8 1.7
310 5 1 0 43.104 86.208 0.444 2.95 4 68.5 31.3
311 2 12 -2 43.316 86.632 0.445 2.93 4 62.7 26.2
312 1 3 -4 43.322 86.643 0.445 2.93 4 104.6 72.8
313 5 3 -2 43.36 86.719 0.446 2.93 4 47.3 14.8
314 2 3 -4 43.417 86.834 0.446 2.92 4 0.7 0.0
315 5 2 0 43.497 86.995 0.447 2.92 4 60.4 24.1
316 0 14 1 43.745 87.491 0.449 2.9 4 7.0 0.3
317 2 10 2 43.756 87.513 0.449 2.9 4 14.4 1.4
318 1 8 3 43.771 87.542 0.449 2.9 4 17.9 2.1
319 1 10 -3 43.834 87.668 0.45 2.89 4 57.0 21.3
320 3 7 2 43.955 87.911 0.451 2.89 4 54.8 19.6
321 4 9 0 43.992 87.984 0.451 2.88 4 77.8 39.6
322 1 14 -1 44.036 88.071 0.451 2.88 4 107.9 76.0
323 3 11 -2 44.081 88.163 0.452 2.88 4 21.1 2.9
324 5 5 -1 44.111 88.223 0.452 2.88 4 4.0 0.1
325 5 3 0 44.152 88.305 0.452 2.87 4 101.1 66.6
326 0 0 4 44.179 88.358 0.452 2.87 2 43.1 6.1
327 2 5 3 44.186 88.371 0.452 2.87 4 65.9 28.3
328 3 12 -1 44.199 88.398 0.453 2.87 4 35.5 8.2
329 1 4 -4 44.239 88.478 0.453 2.87 4 56.3 20.7
330 5 4 -2 44.277 88.554 0.453 2.87 4 69.0 31.0
331 0 1 4 44.31 88.62 0.453 2.87 4 136.3 120.7
332 2 4 -4 44.334 88.668 0.454 2.86 4 72.6 34.2
333 4 6 -3 44.457 88.914 0.455 2.86 4 79.0 40.4
334 3 1 -4 44.596 89.192 0.456 2.85 4 76.0 37.4
335 4 7 1 44.643 89.285 0.456 2.85 4 47.9 14.8
336 0 2 4 44.703 89.405 0.457 2.84 4 2.1 0.0
337 2 10 -3 44.704 89.408 0.457 2.84 4 5.6 0.2
338 4 9 -2 44.75 89.501 0.457 2.84 4 86.2 47.9
339 1 12 2 44.772 89.543 0.457 2.84 4 105.6 71.9
340 3 12 0 44.784 89.568 0.457 2.84 4 130.1 108.9
341 1 13 -2 44.944 89.889 0.459 2.83 4 142.2 129.9
342 3 2 -4 44.988 89.977 0.459 2.83 4 3.0 0.1
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 0 2 0 5.485 10.971 8.058 412.9 14.1 14.3 5.6
2 1 1 0 8.306 16.613 5.33192 1094.6 37.5 37.7 5.6
3 1 2 0 9.585 19.169 4.62619 652.1 22.3 22.4 5.6
4 0 0 1 10.034 20.067 4.42116 150.6 5.2 5.2 5.6
5 0 1 1 10.408 20.817 4.26363 1527.2 52.3 52.4 5.6
6 0 4 0 11.022 22.044 4.029 450.6 15.4 15.5 5.6
7 1 3 0 11.411 22.823 3.89319 2208.7 75.6 75.7 5.6
8 0 2 1 11.463 22.925 3.87607 32.1 1.1 1.1 5.6
9 1 2 -1 12.186 24.371 3.64924 2919.9 100.0 100.0 5.6
10 0 3 1 13.041 26.081 3.41371 57.8 2.0 2.0 5.6
11 1 4 0 13.581 27.161 3.2804 488.6 16.7 16.7 5.6
12 1 3 -1 13.686 27.371 3.2557 61.7 2.1 2.1 5.6
13 1 1 1 14.741 29.483 3.02714 1061.3 36.3 36.2 5.6
14 0 4 1 14.991 29.981 2.97794 103.2 3.5 3.5 5.6
15 1 2 1 15.521 31.041 2.87863 930.9 31.9 31.7 5.6
16 1 4 -1 15.561 31.123 2.8713 1930.8 66.1 65.8 5.6
17 2 0 0 15.823 31.645 2.82506 283.5 9.7 9.7 5.6
18 1 5 0 15.97 31.94 2.79968 128.6 4.4 4.4 5.6
19 2 1 0 16.07 32.141 2.78263 600.6 20.6 20.4 5.6
20 2 0 -1 16.18 32.36 2.76424 714.2 24.5 24.3 5.6
21 2 1 -1 16.423 32.846 2.72446 143.0 4.9 4.9 5.6
22 0 6 0 16.665 33.33 2.686 676.4 23.2 23.0 5.7
23 1 3 1 16.747 33.493 2.67329 430.4 14.7 14.6 5.7
24 2 2 0 16.794 33.588 2.66596 274.2 9.4 9.3 5.7
25 0 5 1 17.202 34.405 2.60453 693.5 23.8 23.6 5.7
26 2 3 -1 18.263 36.527 2.45793 61.0 2.1 2.1 5.7
27 1 4 1 18.341 36.681 2.44792 172.7 5.9 5.9 5.7
28 1 6 0 18.514 37.027 2.42584 258.4 8.9 8.8 5.7
29 2 4 0 19.451 38.903 2.31309 285.7 9.8 9.7 5.7
30 2 4 -1 19.751 39.503 2.27936 448.5 15.4 15.2 5.7
31 1 1 -2 19.845 39.689 2.26905 565.7 19.4 19.1 5.7
32 1 6 -1 20.06 40.121 2.24564 101.8 3.5 3.4 5.7
33 1 5 1 20.23 40.461 2.22755 46.1 1.6 1.6 5.7
34 0 0 2 20.393 40.785 2.21058 317.7 10.9 10.7 5.7
35 0 1 2 20.592 41.184 2.19007 256.8 8.8 8.7 5.7
36 1 7 0 21.179 42.358 2.13208 442.9 15.2 14.9 5.7
37 2 5 0 21.258 42.516 2.12452 998.6 34.2 33.7 5.7
38 1 3 -2 21.432 42.864 2.10805 709.7 24.3 23.9 5.7
39 2 5 -1 21.537 43.074 2.09829 830.7 28.4 28.0 5.7
40 2 2 1 22.046 44.091 2.0522 395.2 13.5 13.3 5.7
41 2 0 -2 22.11 44.22 2.04651 241.3 8.3 8.1 5.7
42 0 7 1 22.161 44.323 2.04201 353.9 12.1 11.9 5.7
43 1 6 1 22.359 44.717 2.02492 52.2 1.8 1.8 5.7
44 0 8 0 22.48 44.961 2.0145 38.3 1.3 1.3 5.7
45 2 2 -2 22.851 45.702 1.98354 235.9 8.1 7.9 5.7
46 2 6 0 23.31 46.62 1.94659 147.4 5.0 4.9 5.7
47 0 4 2 23.419 46.838 1.93804 423.3 14.5 14.2 5.7
48 3 1 -1 23.527 47.053 1.92968 151.7 5.2 5.1 5.7
49 2 6 -1 23.57 47.139 1.92636 240.4 8.2 8.1 5.7
50 1 8 0 23.95 47.901 1.8975 170.9 5.9 5.7 5.7
51 3 2 -1 24.058 48.117 1.88947 79.2 2.7 2.7 5.7
52 2 4 1 24.22 48.44 1.87763 448.3 15.4 15.0 5.7
53 1 1 2 24.299 48.599 1.87186 80.0 2.7 2.7 5.7
54 1 7 1 24.684 49.368 1.84447 467.2 16.0 15.6 5.7
55 3 2 0 24.835 49.671 1.83394 808.7 27.7 27.0 5.7
56 3 3 -1 24.926 49.852 1.82771 624.6 21.4 20.9 5.7
57 2 4 -2 24.971 49.942 1.82462 713.3 24.4 23.8 5.7
58 1 8 -1 25.225 50.45 1.80744 325.4 11.1 10.9 5.8
59 2 7 0 25.569 51.139 1.78469 108.4 3.7 3.6 5.8
60 1 3 2 25.667 51.334 1.77835 34.0 1.2 1.1 5.8
61 3 4 -1 26.104 52.209 1.7506 41.8 1.4 1.4 5.8
62 1 9 0 26.824 53.648 1.70699 913.4 31.3 30.4 5.8
63 1 8 1 27.181 54.362 1.68624 283.1 9.7 9.4 5.8
64 3 1 -2 27.263 54.526 1.68156 122.2 4.2 4.1 5.8
65 2 6 1 27.554 55.108 1.66516 111.8 3.8 3.7 5.8
66 0 9 1 27.652 55.305 1.6597 200.9 6.9 6.7 5.8
67 3 2 -2 27.742 55.485 1.65475 129.3 4.4 4.3 5.8
68 2 6 -2 28.241 56.483 1.62785 181.0 6.2 6.0 5.8
69 1 7 -2 28.309 56.619 1.62427 255.2 8.7 8.5 5.8
70 0 10 0 28.552 57.104 1.6116 160.3 5.5 5.3 5.8
71 0 7 2 28.886 57.772 1.59455 32.7 1.1 1.1 5.8
72 3 1 1 29.366 58.733 1.57075 88.1 3.0 2.9 5.8
73 3 4 -2 29.608 59.216 1.55907 84.1 2.9 2.8 5.8
74 1 9 1 29.835 59.669 1.5483 73.1 2.5 2.4 5.8
75 3 6 0 29.968 59.936 1.54206 58.2 2.0 1.9 5.8
76 2 1 2 30.141 60.283 1.534 151.0 5.2 5.0 5.8
77 3 3 1 30.576 61.152 1.51426 280.6 9.6 9.2 5.8
78 2 9 0 30.617 61.234 1.51243 48.9 1.7 1.6 5.8
79 1 2 -3 30.68 61.359 1.50965 84.5 2.9 2.8 5.8
80 2 9 -1 30.833 61.666 1.50288 56.0 1.9 1.8 5.8
81 2 1 -3 31.221 62.442 1.48605 282.9 9.7 9.3 5.8
82 1 3 -3 31.42 62.841 1.47758 110.1 3.8 3.6 5.9
83 4 0 -1 31.54 63.081 1.47253 268.2 9.2 8.8 5.9
84 0 1 3 31.659 63.317 1.4676 39.7 1.4 1.3 5.9
85 1 4 -3 32.441 64.882 1.43594 99.9 3.4 3.3 5.9
86 4 1 0 33.19 66.379 1.40713 59.7 2.0 1.9 5.9
87 3 8 -1 33.414 66.829 1.39875 38.9 1.3 1.3 5.9
88 2 10 -1 33.591 67.182 1.39226 111.5 3.8 3.6 5.9
89 2 5 2 33.645 67.29 1.39028 424.0 14.5 13.8 5.9
90 4 4 -1 33.845 67.689 1.38305 130.4 4.5 4.2 5.9
91 4 1 -2 34.012 68.023 1.37707 305.2 10.5 9.9 5.9
92 3 8 0 34.048 68.097 1.37577 193.5 6.6 6.3 5.9
93 3 7 -2 34.418 68.837 1.36277 140.5 4.8 4.6 5.9
94 3 1 -3 34.513 69.027 1.35948 41.7 1.4 1.4 5.9
95 2 5 -3 34.665 69.33 1.35428 206.2 7.1 6.7 5.9
96 3 2 -3 34.933 69.866 1.3452 101.2 3.5 3.3 5.9
97 0 5 3 35.08 70.16 1.34027 36.6 1.3 1.2 5.9
98 4 4 0 35.3 70.601 1.33298 123.4 4.2 4.0 5.9
99 1 1 3 35.343 70.687 1.33157 70.7 2.4 2.3 5.9
100 3 9 -1 35.795 71.591 1.31696 100.2 3.4 3.2 5.9
101 3 7 1 36.279 72.559 1.30176 243.1 8.3 7.8 6.0
102 2 11 0 36.317 72.634 1.30059 141.6 4.8 4.6 6.0
103 1 3 3 36.446 72.891 1.29663 222.9 7.6 7.2 6.0
104 2 11 -1 36.515 73.031 1.29451 335.2 11.5 10.8 6.0
105 4 6 -1 36.623 73.247 1.29122 309.2 10.6 10.0 6.0
106 2 10 1 36.881 73.763 1.28346 127.6 4.4 4.1 6.0
107 2 7 2 36.977 73.954 1.28061 44.5 1.5 1.4 6.0
108 1 12 -1 37.131 74.262 1.27606 118.3 4.1 3.8 6.0
109 4 5 -2 37.329 74.658 1.27026 111.9 3.8 3.6 6.0
110 2 10 -2 37.472 74.943 1.26614 144.1 4.9 4.6 6.0
111 3 2 2 37.996 75.992 1.25125 58.6 2.0 1.9 6.0
112 4 0 1 38.164 76.329 1.24657 53.3 1.8 1.7 6.0
113 4 1 1 38.299 76.598 1.24286 77.5 2.7 2.5 6.0
114 3 3 2 38.669 77.337 1.23281 78.1 2.7 2.5 6.0
115 1 12 1 38.729 77.458 1.23119 46.4 1.6 1.5 6.0
116 1 8 -3 39.08 78.16 1.22188 156.2 5.3 5.0 6.0
117 1 13 0 39.504 79.007 1.21089 59.5 2.0 1.9 6.0
118 3 4 2 39.604 79.209 1.20831 42.4 1.5 1.3 6.0
119 4 0 -3 39.715 79.43 1.20551 62.1 2.1 2.0 6.0
120 4 7 0 39.775 79.55 1.20399 73.2 2.5 2.3 6.0
121 4 1 -3 39.848 79.696 1.20215 35.5 1.2 1.1 6.0
122 4 4 1 40.302 80.604 1.19087 76.1 2.6 2.4 6.1
123 3 9 1 40.584 81.169 1.18401 77.4 2.7 2.5 6.1
124 2 0 3 40.9 81.799 1.17648 30.7 1.1 1.0 6.1
125 3 7 -3 41.016 82.032 1.17373 54.9 1.9 1.7 6.1
126 3 11 -1 41.177 82.354 1.16995 46.4 1.6 1.5 6.1
127 2 9 2 41.259 82.519 1.16803 36.3 1.2 1.1 6.1
128 5 2 -1 41.353 82.706 1.16586 102.4 3.5 3.2 6.1
129 4 5 1 41.492 82.985 1.16265 54.7 1.9 1.7 6.1
130 1 7 3 41.801 83.602 1.15562 70.1 2.4 2.2 6.1
131 4 4 -3 41.833 83.665 1.15492 46.8 1.6 1.5 6.1
132 5 3 -1 42.012 84.024 1.1509 116.2 4.0 3.7 6.1
133 1 13 1 42.046 84.092 1.15014 69.8 2.4 2.2 6.1
134 2 0 -4 42.236 84.471 1.14594 115.2 3.9 3.6 6.1
135 1 2 -4 42.666 85.331 1.13658 45.5 1.6 1.4 6.1
136 5 2 -2 42.704 85.407 1.13576 55.4 1.9 1.7 6.1
137 4 6 1 42.939 85.878 1.13073 31.5 1.1 1.0 6.1
138 3 8 -3 42.99 85.981 1.12965 187.4 6.4 5.9 6.1
139 1 14 0 43.07 86.14 1.12797 30.3 1.0 0.9 6.1
140 5 1 0 43.104 86.208 1.12726 31.3 1.1 1.0 6.1
141 1 3 -4 43.322 86.643 1.1227 98.9 3.4 3.1 6.1
142 4 9 0 43.992 87.984 1.10902 39.6 1.4 1.2 6.2
143 1 14 -1 44.036 88.071 1.10815 76.0 2.6 2.4 6.2
144 5 3 0 44.152 88.305 1.10582 72.7 2.5 2.3 6.2
145 2 5 3 44.186 88.371 1.10516 36.5 1.3 1.1 6.2
146 5 4 -2 44.277 88.554 1.10336 31.0 1.1 1.0 6.2
147 0 1 4 44.31 88.62 1.1027 154.9 5.3 4.8 6.2
148 4 6 -3 44.457 88.914 1.09982 40.4 1.4 1.3 6.2
149 3 1 -4 44.596 89.192 1.09711 37.4 1.3 1.2 6.2
150 1 12 2 44.772 89.543 1.09371 228.7 7.8 7.1 6.2
151 1 13 -2 44.944 89.889 1.0904 129.9 4.4 4.0 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)
|