Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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MANGANIANDROSITE-(CE)
1, s-allanite
(Mn'',Ca)(Ce,REE)Al(Mn''',Fe)Mn''[Si(2)O(7)][SiO(4)]O(OH)
Monoclinic P 2(1)/m Z = 2
P2(1)/m
20 .6 .8
Ref.Str.:
Cenki-Tok B., Ragu A., Armbruster T., Chopin C., Medenbach O. (2006)
Eur. J. Mineral., 18, 569-582
R: from Praborna manganese mine, Saint-Marcel, Aosta valley, Alps, Italy.
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.901 alpha = 90.0
b = 5.738 beta = 113.43
c = 10.068 gamma = 90.0
Unit cell volume (cub. angs.) = 471.83
Molar volume ( cub.cm/mol.) = 142.1
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7594 0.75 0.1531 0.0 Mn = 0.6 , Ca = 0.4
2 0.592 0.75 0.4282 0.0 Ce = 0.46, La = 0.23, Nd = 0.22
3 0.0 0.0 0.0 0.0 Mn = 0.63, Fe = 0.23, Ti = 0.14
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.3167 0.25 0.2066 0.0 Mn = 1.00
6 0.349 0.75 0.0325 0.0 Si = 1.00
7 0.6932 0.25 0.2828 0.0 Si = 1.00
8 0.1929 0.75 0.3248 0.0 Si = 1.00
9 0.2456 0.989 0.0212 0.0 O = 1.00
10 0.3162 0.972 0.3596 0.0 O = 1.00
11 0.806 0.012 0.3322 0.0 O = 1.00
12 0.057 0.25 0.132 0.0 O = 1.00
13 0.05 0.75 0.1588 0.0 O = 1.00
14 0.079 0.75 0.421 0.0 O = 1.00
15 0.516 0.75 0.176 0.0 O = 1.00
16 0.559 0.25 0.347 0.0 O = 1.00
17 0.4 0.75 0.894 0.0 O = 1.00
18 0.091 0.25 0.428 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7594 0.75 0.1531
2 2 0.592 0.75 0.4282
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.3167 0.25 0.2066
6 6 0.349 0.75 0.0325
7 7 0.6932 0.25 0.2828
8 8 0.1929 0.75 0.3248
9 9 0.2456 0.989 0.0212
10 10 0.3162 0.972 0.3596
11 11 0.806 0.012 0.3322
12 12 0.057 0.25 0.132
13 13 0.05 0.75 0.1588
14 14 0.079 0.75 0.421
15 15 0.516 0.75 0.176
16 16 0.559 0.25 0.347
17 17 0.4 0.75 0.894
18 18 0.091 0.25 0.428
19 1 0.2406 0.25 0.8469
20 2 0.408 0.25 0.5718
21 3 0.0 0.5 0.0
22 4 0.0 0.5 0.5
23 5 0.6833 0.75 0.7934
24 6 0.651 0.25 0.9675
25 7 0.3068 0.75 0.7172
26 8 0.8071 0.25 0.6752
27 9 0.7544 0.489 0.9788
28 10 0.6838 0.472 0.6404
29 11 0.194 0.512 0.6678
30 12 0.943 0.75 0.868
31 13 0.95 0.25 0.8412
32 14 0.921 0.25 0.579
33 15 0.484 0.25 0.824
34 16 0.441 0.75 0.653
35 17 0.6 0.25 0.106
36 18 0.909 0.75 0.572
37 9 0.2456 0.511 0.0212
38 10 0.3162 0.528 0.3596
39 11 0.806 0.488 0.3322
40 9 0.7544 0.011 0.9788
41 10 0.6838 0.028 0.6404
42 11 0.194 0.988 0.6678
X-ray density (g/cm cub.) = 4.27
MU (1/cm) = 696.097 Mass attenuation coefficient (cm**2/g) = 163.122
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Ca 2.928 6
2.2559 11
2.5644 13
2.268 15
2.294 9
2.2559 11
2.294 9
2 Ce ,La ,Nd 2.928 8
2.6035 10
2.8786 11
2.3535 15
2.5276 10
2.6095 18
2.6035 10
2.8786 11
2.5276 10
3 Mn ,Fe ,Ti 2.772 6
2.1113 9
1.8829 12
2.0606 13
1.8829 12
2.0606 13
2.1113 9
4 Al 2.364 6
1.8765 11
1.9051 14
1.9251 18
1.9051 14
1.9251 18
1.8765 11
5 Mn 2.772 6
2.2778 9
2.2188 10
2.1277 12
2.0556 16
2.2778 9
2.2188 10
6 Si 2.148 4
1.6302 9
1.6092 15
1.629 17
1.6302 9
7 Si 2.148 4
1.6503 11
1.568 16
1.6379 17
1.6503 11
8 Si 2.148 4
1.6261 10
1.6495 13
1.6573 14
1.6261 10
9 O 3.312 10
3.2109 10
2.7918 12
2.9578 13
2.6683 15
2.6094 17
2.8655 12
2.9426 13
3.2835 17
2.9952 9
2.7428 9
10 O 3.312 10
3.2109 9
2.9858 12
2.7414 13
2.7386 14
3.2888 15
2.7293 16
2.8521 18
2.9956 16
3.1903 10
2.5477 10
11 O 3.312 9
2.6901 14
2.8581 15
2.6422 16
2.6991 18
2.6579 14
2.6633 17
2.6776 18
2.7313 11
3.0067 11
12 O 3.312 10
2.7918 9
2.9858 10
2.8847 13
2.8847 13
2.8733 18
2.8655 9
2.6948 13
2.7918 9
2.9858 10
2.8655 9
13 O 3.312 10
2.9578 9
2.7414 10
2.8847 12
2.8847 12
2.5482 14
2.9426 9
2.6948 12
2.9578 9
2.7414 10
2.9426 9
14 O 3.312 11
2.7386 10
2.6901 11
2.5482 13
2.8708 18
2.8708 18
2.6579 11
3.1391 16
2.5357 18
2.7386 10
2.6901 11
2.6579 11
15 O 3.312 11
2.6683 9
3.2888 10
2.8581 11
3.289 16
3.289 16
2.6069 17
3.1154 17
3.1154 17
2.6683 9
3.2888 10
2.8581 11
16 O 3.312 10
2.7293 10
2.6422 11
3.289 15
3.289 15
2.9956 10
3.1391 14
2.5932 17
2.7293 10
2.6422 11
2.9956 10
17 O 3.312 10
2.6094 9
2.6069 15
3.2835 9
2.6633 11
3.1154 15
3.1154 15
2.5932 16
2.6094 9
3.2835 9
2.6633 11
18 OH 3.36 10
2.8521 10
2.6991 11
2.8733 12
2.8708 14
2.8708 14
2.6776 11
2.5357 14
2.8521 10
2.6991 11
2.6776 11
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 0 1 4.783 9.566 0.054 284.7 2 23.1 136.8
2 1 0 0 5.412 10.823 0.061 221.88 2 30.2 181.9
3 1 0 -1 5.621 11.242 0.064 205.48 2 51.9 496.8
4 1 0 1 8.549 17.098 0.096 87.56 2 71.6 403.2
5 1 0 -2 8.949 17.898 0.101 79.72 2 57.4 236.0
6 0 1 1 9.092 18.185 0.103 77.16 4 30.5 129.0
7 1 1 0 9.443 18.885 0.106 71.38 4 45.5 265.7
8 1 1 -1 9.566 19.131 0.108 69.5 4 13.0 21.0
9 0 0 2 9.599 19.199 0.108 69.0 2 64.0 253.7
10 2 0 -1 9.979 19.957 0.112 63.69 2 0.3 0.0
11 2 0 0 10.872 21.745 0.122 53.31 2 14.6 10.2
12 2 0 -2 11.297 22.595 0.127 49.22 2 48.8 105.1
13 1 1 1 11.555 23.109 0.13 46.96 4 20.0 33.8
14 1 1 -2 11.857 23.714 0.133 44.49 4 43.6 151.7
15 0 1 2 12.361 24.723 0.139 40.77 4 49.0 176.2
16 2 1 -1 12.662 25.324 0.142 38.76 4 107.1 799.5
17 1 0 2 12.816 25.633 0.144 37.78 2 16.4 9.1
18 1 0 -3 13.272 26.545 0.149 35.09 2 8.3 2.2
19 2 1 0 13.386 26.773 0.15 34.46 4 61.8 236.4
20 2 0 1 13.568 27.136 0.152 33.49 2 72.0 156.2
21 2 1 -2 13.738 27.476 0.154 32.62 4 34.6 70.4
22 2 0 -3 14.255 28.51 0.16 30.16 2 55.9 84.6
23 0 0 3 14.486 28.972 0.162 29.14 2 26.9 18.9
24 1 1 2 15.028 30.055 0.168 26.94 4 40.6 79.7
25 3 0 -1 15.144 30.288 0.17 26.5 2 33.2 26.2
26 3 0 -2 15.381 30.761 0.172 25.63 2 145.0 484.2
27 1 1 -3 15.423 30.847 0.173 25.48 4 209.4 2006.8
28 0 2 0 15.574 31.148 0.174 24.95 2 177.2 703.5
29 2 1 1 15.682 31.363 0.175 24.58 4 75.6 252.6
30 2 1 -3 16.287 32.575 0.182 22.65 4 29.9 36.3
31 0 2 1 16.328 32.656 0.182 22.53 4 52.3 110.8
32 3 0 0 16.435 32.871 0.184 22.21 2 119.0 282.5
33 0 1 3 16.492 32.984 0.184 22.05 4 122.2 591.5
34 1 2 0 16.533 33.066 0.185 21.93 4 140.7 780.0
35 1 2 -1 16.606 33.213 0.186 21.72 4 3.9 0.6
36 3 1 -1 17.08 34.161 0.191 20.43 4 170.3 1065.1
37 3 0 -3 17.089 34.178 0.191 20.41 2 65.1 77.8
38 3 1 -2 17.294 34.587 0.193 19.89 4 25.9 23.9
39 2 0 2 17.296 34.593 0.193 19.88 2 177.1 559.9
40 1 0 3 17.48 34.96 0.195 19.43 2 44.8 35.0
41 1 2 1 17.872 35.744 0.199 18.51 4 24.0 19.2
42 1 0 -4 17.964 35.928 0.2 18.3 2 81.1 108.1
43 1 2 -2 18.077 36.154 0.201 18.05 4 68.8 153.6
44 2 0 -4 18.127 36.253 0.202 17.94 2 48.0 37.1
45 3 1 0 18.25 36.5 0.203 17.67 4 34.6 38.1
46 0 2 2 18.425 36.849 0.205 17.31 4 66.3 136.7
47 2 2 -1 18.635 37.271 0.207 16.88 4 21.1 13.4
48 3 1 -3 18.848 37.697 0.21 16.46 4 91.7 248.5
49 3 0 1 18.978 37.957 0.211 16.21 2 44.9 29.3
50 2 1 2 19.039 38.079 0.212 16.1 4 21.5 13.3
51 2 2 0 19.155 38.309 0.213 15.89 4 13.4 5.2
52 1 1 3 19.208 38.416 0.214 15.79 4 35.9 36.6
53 2 2 -2 19.412 38.824 0.216 15.42 4 104.2 300.9
54 0 0 4 19.483 38.965 0.216 15.3 2 9.7 1.3
55 1 1 -4 19.656 39.311 0.218 15.0 4 39.7 42.5
56 2 1 -4 19.806 39.613 0.22 14.75 4 53.1 74.7
57 3 0 -4 19.936 39.872 0.221 14.54 2 108.7 154.3
58 4 0 -2 20.277 40.554 0.225 14.0 2 29.1 10.6
59 1 2 2 20.382 40.763 0.226 13.84 4 83.7 174.1
60 3 1 1 20.599 41.198 0.228 13.52 4 40.8 40.5
61 4 0 -1 20.64 41.281 0.229 13.46 2 199.3 480.0
62 1 2 -3 20.687 41.373 0.229 13.39 4 77.9 146.0
63 2 2 1 20.888 41.775 0.231 13.1 4 134.1 423.2
64 0 1 4 21.071 42.142 0.233 12.85 4 72.5 121.3
65 4 0 -3 21.122 42.244 0.234 12.78 2 103.5 123.0
66 2 2 -3 21.365 42.73 0.236 12.46 4 124.4 346.6
67 3 1 -4 21.496 42.993 0.238 12.29 4 27.2 16.3
68 0 2 3 21.528 43.055 0.238 12.25 4 124.7 342.0
69 2 0 3 21.612 43.225 0.239 12.14 2 123.4 166.0
70 4 1 -2 21.818 43.635 0.241 11.88 4 18.0 6.9
71 3 2 -1 22.0 44.0 0.243 11.66 4 1.4 0.0
72 4 1 -1 22.16 44.32 0.245 11.47 4 58.5 70.7
73 4 0 0 22.163 44.326 0.245 11.47 2 34.5 12.3
74 3 2 -2 22.173 44.345 0.245 11.46 4 34.2 24.1
75 1 0 4 22.394 44.788 0.247 11.21 2 13.5 1.8
76 3 0 2 22.413 44.826 0.247 11.18 2 24.7 6.1
77 2 0 -5 22.533 45.067 0.249 11.05 2 76.6 58.2
78 4 1 -3 22.616 45.231 0.25 10.96 4 40.4 32.1
79 1 0 -5 22.902 45.803 0.253 10.65 2 21.9 4.6
80 3 2 0 22.957 45.915 0.253 10.59 4 5.6 0.6
81 4 0 -4 23.067 46.134 0.254 10.48 2 56.5 30.0
82 2 1 3 23.081 46.161 0.254 10.47 4 59.2 65.9
83 3 2 -3 23.456 46.911 0.258 10.09 4 65.1 76.9
84 3 0 -5 23.584 47.167 0.26 9.97 2 13.6 1.7
85 4 1 0 23.604 47.209 0.26 9.95 4 31.1 17.3
86 2 2 2 23.616 47.231 0.26 9.94 4 127.1 288.5
87 1 2 3 23.758 47.516 0.262 9.8 4 42.3 31.5
88 1 1 4 23.824 47.648 0.262 9.74 4 87.7 134.6
89 3 1 2 23.842 47.685 0.262 9.72 4 73.0 93.0
90 2 1 -5 23.957 47.914 0.264 9.62 4 4.8 0.4
91 1 2 -4 24.136 48.272 0.265 9.46 4 33.1 18.7
92 2 2 -4 24.264 48.529 0.267 9.34 4 112.2 211.5
93 0 3 1 24.284 48.569 0.267 9.33 4 19.2 6.2
94 1 1 -5 24.309 48.617 0.267 9.31 4 17.7 5.3
95 1 3 0 24.433 48.865 0.268 9.2 4 60.9 61.4
96 4 1 -4 24.467 48.933 0.269 9.17 4 5.2 0.4
97 1 3 -1 24.486 48.971 0.269 9.15 4 13.2 2.9
98 0 0 5 24.639 49.278 0.271 9.02 2 94.7 72.8
99 4 0 1 24.675 49.349 0.271 8.99 2 8.1 0.5
100 3 2 1 24.943 49.886 0.274 8.78 4 21.1 7.0
101 3 1 -5 24.962 49.923 0.274 8.76 4 44.8 31.6
102 0 2 4 25.351 50.701 0.278 8.46 4 82.8 104.1
103 1 3 1 25.422 50.845 0.279 8.4 4 24.9 9.4
104 1 3 -2 25.577 51.154 0.28 8.29 4 31.9 15.1
105 5 0 -2 25.67 51.34 0.281 8.22 2 109.1 87.9
106 3 2 -4 25.721 51.441 0.282 8.18 4 31.8 14.9
107 0 3 2 25.842 51.683 0.283 8.1 4 35.4 18.2
108 4 0 -5 25.92 51.84 0.284 8.04 2 6.2 0.3
109 5 0 -3 25.926 51.852 0.284 8.04 2 23.7 4.1
110 0 1 5 25.975 51.95 0.284 8.0 4 14.3 2.9
111 4 2 -2 26.001 52.003 0.285 7.98 4 88.1 111.2
112 2 3 -1 26.003 52.007 0.285 7.98 4 93.1 124.3
113 4 1 1 26.009 52.019 0.285 7.98 4 23.5 7.9
114 4 2 -1 26.302 52.604 0.288 7.78 4 54.8 41.9
115 2 0 4 26.338 52.675 0.288 7.75 2 83.1 48.1
116 2 3 0 26.405 52.81 0.289 7.71 4 58.5 47.4
117 5 0 -1 26.426 52.851 0.289 7.69 2 80.1 44.4
118 3 0 3 26.486 52.971 0.289 7.65 2 48.5 16.2
119 2 3 -2 26.606 53.211 0.291 7.58 4 34.8 16.5
120 4 2 -3 26.704 53.407 0.292 7.51 4 14.6 2.9
121 5 1 -2 26.969 53.938 0.294 7.35 4 34.1 15.4
122 2 2 3 27.116 54.232 0.296 7.26 4 70.5 64.8
123 5 0 -4 27.173 54.346 0.296 7.22 2 29.6 5.7
124 4 1 -5 27.211 54.422 0.297 7.2 4 105.8 144.7
125 5 1 -3 27.216 54.433 0.297 7.19 4 19.1 4.7
126 2 0 -6 27.333 54.666 0.298 7.13 2 133.1 113.5
127 1 3 2 27.373 54.746 0.298 7.1 4 27.6 9.8
128 1 0 5 27.552 55.105 0.3 7.0 2 45.2 12.9
129 4 2 0 27.583 55.166 0.301 6.98 4 98.9 122.7
130 2 1 4 27.615 55.229 0.301 6.96 4 62.2 48.3
131 1 3 -3 27.618 55.235 0.301 6.96 4 149.0 277.5
132 5 1 -1 27.7 55.4 0.302 6.91 4 94.9 111.8
133 3 1 3 27.758 55.516 0.302 6.88 4 31.5 12.2
134 1 2 4 27.78 55.559 0.303 6.87 4 88.9 97.6
135 2 3 1 27.78 55.559 0.303 6.87 4 63.0 48.9
136 3 2 2 27.796 55.592 0.303 6.86 4 135.0 224.5
137 3 0 -6 27.819 55.638 0.303 6.85 2 15.9 1.6
138 2 2 -5 27.899 55.798 0.304 6.8 4 18.7 4.3
139 4 0 2 27.982 55.964 0.305 6.76 2 17.3 1.8
140 1 0 -6 28.087 56.173 0.306 6.7 2 192.3 222.4
141 5 0 0 28.135 56.271 0.306 6.67 2 85.2 43.5
142 2 3 -3 28.167 56.334 0.306 6.66 4 27.7 9.2
143 1 2 -5 28.215 56.43 0.307 6.63 4 60.2 43.2
144 0 3 3 28.3 56.6 0.308 6.58 4 95.7 108.4
145 4 2 -4 28.357 56.715 0.308 6.55 4 210.7 522.7
146 5 1 -4 28.424 56.849 0.309 6.52 4 84.7 83.9
147 2 1 -6 28.58 57.16 0.311 6.44 4 57.4 38.2
148 3 3 -1 28.688 57.376 0.312 6.38 4 151.9 264.5
149 1 1 5 28.793 57.586 0.313 6.33 4 128.7 188.5
150 3 2 -5 28.805 57.609 0.313 6.33 4 38.3 16.7
151 3 3 -2 28.83 57.661 0.313 6.31 4 36.0 14.7
152 3 1 -6 29.052 58.104 0.315 6.21 4 74.7 62.3
153 4 1 2 29.211 58.421 0.317 6.13 4 124.7 171.3
154 1 1 -6 29.312 58.625 0.318 6.08 4 5.6 0.3
155 5 0 -5 29.325 58.649 0.318 6.08 2 15.6 1.3
156 5 1 0 29.36 58.72 0.318 6.06 4 45.6 22.7
157 3 3 0 29.484 58.968 0.319 6.0 4 22.9 5.6
158 4 0 -6 29.504 59.007 0.32 5.99 2 174.7 164.3
159 0 2 5 29.727 59.454 0.322 5.89 4 41.4 18.1
160 4 2 1 29.759 59.517 0.322 5.88 4 12.0 1.5
161 3 3 -3 29.903 59.806 0.324 5.82 4 61.8 39.9
162 0 0 6 30.018 60.037 0.325 5.77 2 62.7 20.4
163 2 3 2 30.039 60.077 0.325 5.76 4 20.6 4.4
164 1 3 3 30.159 60.318 0.326 5.71 4 11.6 1.4
165 1 3 -4 30.481 60.962 0.329 5.57 4 26.9 7.2
166 5 1 -5 30.519 61.038 0.33 5.56 4 52.0 27.0
167 2 3 -4 30.591 61.182 0.33 5.53 4 31.0 9.6
168 5 2 -2 30.64 61.28 0.331 5.51 4 0.9 0.0
169 4 1 -6 30.694 61.387 0.331 5.49 4 50.9 25.6
170 5 0 1 30.695 61.391 0.331 5.49 2 4.3 0.1
171 4 2 -5 30.863 61.726 0.333 5.42 4 4.5 0.2
172 5 2 -3 30.868 61.736 0.333 5.42 4 22.6 5.0
173 3 0 4 31.068 62.136 0.335 5.34 2 41.7 8.3
174 3 3 1 31.174 62.348 0.336 5.3 4 25.8 6.3
175 0 1 6 31.197 62.393 0.336 5.29 4 29.3 8.2
176 2 2 4 31.236 62.473 0.337 5.28 4 37.7 13.5
177 5 2 -1 31.316 62.631 0.337 5.25 4 105.3 104.5
178 6 0 -3 31.322 62.643 0.337 5.25 2 40.3 7.7
179 3 2 3 31.369 62.739 0.338 5.23 4 8.4 0.7
180 2 0 5 31.429 62.859 0.338 5.21 2 20.0 1.9
181 6 0 -2 31.499 62.998 0.339 5.18 2 24.3 2.7
182 0 3 4 31.527 63.054 0.339 5.17 4 60.5 34.1
183 3 3 -4 31.849 63.698 0.343 5.06 4 12.1 1.3
184 5 1 1 31.859 63.718 0.343 5.05 4 57.8 30.3
185 4 0 3 31.943 63.885 0.343 5.03 2 76.7 26.6
186 5 2 -4 31.989 63.978 0.344 5.01 4 86.1 66.7
187 6 0 -4 32.036 64.073 0.344 4.99 2 138.2 85.6
188 4 3 -2 32.094 64.188 0.345 4.97 4 9.8 0.9
189 2 2 -6 32.134 64.267 0.345 4.96 4 139.7 173.9
190 3 1 4 32.224 64.448 0.346 4.93 4 0.2 0.0
191 5 0 -6 32.271 64.542 0.347 4.92 2 1.5 0.0
192 1 2 5 32.333 64.665 0.347 4.9 4 42.3 15.7
193 4 3 -1 32.358 64.716 0.347 4.89 4 42.9 16.1
194 6 1 -3 32.473 64.945 0.349 4.85 4 29.5 7.6
195 0 4 0 32.477 64.955 0.349 4.85 2 296.4 382.7
196 2 0 -7 32.501 65.001 0.349 4.84 2 13.7 0.8
197 3 0 -7 32.545 65.091 0.349 4.83 2 12.1 0.6
198 6 0 -1 32.56 65.121 0.349 4.82 2 44.8 8.7
199 3 2 -6 32.575 65.149 0.349 4.82 4 57.3 28.4
200 2 1 5 32.578 65.156 0.35 4.82 4 122.1 129.0
201 6 1 -2 32.646 65.293 0.35 4.79 4 33.5 9.6
202 4 3 -3 32.712 65.423 0.351 4.77 4 34.0 9.9
203 4 2 2 32.723 65.446 0.351 4.77 4 147.5 186.4
204 1 2 -6 32.819 65.637 0.352 4.74 4 46.8 18.7
205 5 2 0 32.863 65.726 0.352 4.73 4 12.1 1.2
206 0 4 1 32.916 65.831 0.353 4.71 4 17.9 2.7
207 1 0 6 33.004 66.007 0.354 4.68 2 5.8 0.1
208 1 4 0 33.037 66.075 0.354 4.67 4 23.8 4.7
209 2 3 3 33.076 66.153 0.354 4.66 4 39.9 13.4
210 1 4 -1 33.081 66.163 0.354 4.66 4 32.0 8.6
211 4 1 3 33.082 66.163 0.354 4.66 4 40.0 13.4
212 6 1 -4 33.174 66.348 0.355 4.63 4 93.3 72.5
213 5 1 -6 33.404 66.808 0.357 4.57 4 20.4 3.4
214 4 3 0 33.492 66.984 0.358 4.54 4 24.4 4.9
215 1 0 -7 33.572 67.143 0.359 4.52 2 20.7 1.7
216 6 0 -5 33.612 67.225 0.359 4.51 2 28.2 3.2
217 2 1 -7 33.63 67.26 0.359 4.5 4 39.0 12.3
218 1 3 4 33.667 67.335 0.36 4.49 4 85.1 58.4
219 3 1 -7 33.674 67.348 0.36 4.49 4 55.1 24.5
220 3 3 2 33.682 67.364 0.36 4.49 4 44.4 15.9
221 6 1 -1 33.689 67.377 0.36 4.48 4 79.9 51.4
222 4 0 -7 33.703 67.407 0.36 4.48 2 14.6 0.9
223 2 3 -5 33.774 67.548 0.361 4.46 4 6.8 0.4
224 1 4 1 33.86 67.72 0.362 4.44 4 52.2 21.7
225 5 2 -5 33.954 67.907 0.363 4.41 4 15.3 1.9
226 1 4 -2 33.99 67.98 0.363 4.4 4 35.3 9.8
227 5 0 2 34.0 68.0 0.363 4.4 2 99.0 38.8
228 1 3 -5 34.057 68.115 0.364 4.38 4 13.0 1.3
229 4 2 -6 34.119 68.238 0.364 4.37 4 36.9 10.7
230 1 1 6 34.124 68.248 0.364 4.37 4 43.5 14.8
231 4 3 -4 34.185 68.371 0.365 4.35 4 1.3 0.0
232 0 4 2 34.213 68.425 0.365 4.34 4 43.5 14.7
233 2 4 -1 34.349 68.698 0.366 4.31 4 0.7 0.0
234 6 0 0 34.463 68.925 0.367 4.28 2 8.4 0.3
235 3 3 -5 34.589 69.177 0.368 4.25 4 48.0 17.6
236 0 2 6 34.595 69.19 0.369 4.24 4 86.3 56.8
237 1 1 -7 34.683 69.367 0.369 4.22 4 21.4 3.5
238 2 4 0 34.69 69.38 0.369 4.22 4 3.3 0.1
239 6 1 -5 34.723 69.447 0.37 4.21 4 51.6 20.2
240 4 1 -7 34.813 69.626 0.371 4.19 4 93.8 66.3
241 2 4 -2 34.861 69.722 0.371 4.18 4 23.0 4.0
242 5 1 2 35.105 70.211 0.373 4.12 4 75.3 42.0
243 5 2 1 35.224 70.448 0.374 4.09 4 28.1 5.8
244 0 3 5 35.426 70.852 0.376 4.05 4 16.7 2.0
245 4 3 1 35.454 70.909 0.377 4.04 4 17.9 2.3
246 1 4 2 35.52 71.04 0.377 4.02 4 0.6 0.0
247 6 1 0 35.561 71.123 0.378 4.01 4 1.2 0.0
248 3 2 4 35.572 71.143 0.378 4.01 4 35.3 9.0
249 0 0 7 35.708 71.417 0.379 3.98 2 92.4 30.5
250 1 4 -3 35.731 71.463 0.379 3.98 4 10.1 0.7
251 6 2 -3 35.809 71.617 0.38 3.96 4 11.7 1.0
252 2 4 1 35.872 71.744 0.38 3.95 4 54.8 21.3
253 2 2 5 35.91 71.819 0.381 3.94 4 6.7 0.3
254 5 0 -7 35.922 71.843 0.381 3.94 2 47.8 8.1
255 6 2 -2 35.975 71.949 0.381 3.92 4 102.8 74.6
256 6 0 -6 35.995 71.989 0.381 3.92 2 86.8 26.5
257 3 0 5 36.13 72.259 0.383 3.89 2 110.7 42.9
258 2 4 -3 36.209 72.418 0.383 3.88 4 48.0 16.0
259 5 3 -2 36.262 72.523 0.384 3.86 4 36.7 9.3
260 0 4 3 36.325 72.651 0.385 3.85 4 8.5 0.5
261 4 2 3 36.391 72.782 0.385 3.84 4 109.7 83.1
262 4 3 -5 36.467 72.934 0.386 3.82 4 90.2 55.8
263 5 3 -3 36.472 72.943 0.386 3.82 4 22.1 3.4
264 6 2 -4 36.479 72.959 0.386 3.82 4 119.6 98.2
265 4 0 4 36.486 72.973 0.386 3.82 2 122.8 51.7
266 3 4 -1 36.666 73.331 0.388 3.78 4 19.2 2.5
267 5 2 -6 36.7 73.4 0.388 3.78 4 104.5 74.2
268 0 1 7 36.791 73.582 0.389 3.76 4 47.2 15.1
269 3 4 -2 36.791 73.582 0.389 3.76 4 103.4 72.2
270 2 3 4 36.811 73.623 0.389 3.76 4 58.6 23.2
271 5 3 -1 36.885 73.769 0.39 3.74 4 98.6 65.4
272 2 2 -7 36.917 73.834 0.39 3.74 4 8.9 0.5
273 2 0 6 36.923 73.846 0.39 3.73 2 57.3 11.0
274 3 3 3 36.934 73.869 0.39 3.73 4 31.6 6.7
275 3 2 -7 36.959 73.918 0.39 3.73 4 12.0 1.0
276 6 2 -1 36.973 73.946 0.39 3.72 4 93.9 59.0
277 5 1 -7 37.002 74.004 0.391 3.72 4 77.2 39.8
278 6 1 -6 37.074 74.148 0.391 3.71 4 1.3 0.0
279 6 0 1 37.149 74.297 0.392 3.69 2 54.7 9.9
280 3 1 5 37.207 74.415 0.393 3.68 4 3.0 0.1
281 7 0 -3 37.293 74.587 0.393 3.67 2 52.4 9.1
282 3 4 0 37.369 74.738 0.394 3.65 4 80.7 42.7
283 1 2 6 37.392 74.784 0.394 3.65 4 48.8 15.6
284 5 3 -4 37.509 75.018 0.395 3.63 4 59.4 23.0
285 4 1 4 37.56 75.121 0.396 3.62 4 9.5 0.6
286 7 0 -4 37.584 75.168 0.396 3.61 2 34.9 4.0
287 2 3 -6 37.644 75.288 0.396 3.6 4 55.8 20.1
288 3 4 -3 37.743 75.485 0.397 3.59 4 51.0 16.8
289 3 0 -8 37.757 75.515 0.397 3.58 2 74.6 17.9
290 7 0 -2 37.827 75.654 0.398 3.57 2 48.7 7.6
291 1 3 5 37.829 75.658 0.398 3.57 4 120.1 92.5
292 2 4 2 37.864 75.727 0.398 3.57 4 138.0 122.1
293 1 2 -7 37.931 75.862 0.399 3.56 4 7.6 0.4
294 6 2 -5 37.97 75.939 0.399 3.55 4 63.0 25.3
295 1 4 3 37.971 75.943 0.399 3.55 4 39.4 9.9
296 5 0 3 37.981 75.963 0.399 3.55 2 35.9 4.1
297 2 1 6 37.992 75.984 0.4 3.55 4 30.9 6.1
298 3 3 -6 38.055 76.111 0.4 3.53 4 76.3 36.9
299 4 2 -7 38.056 76.112 0.4 3.53 4 41.5 10.9
300 2 0 -8 38.085 76.17 0.4 3.53 2 66.8 14.2
301 4 3 2 38.194 76.388 0.401 3.51 4 105.5 70.3
302 6 1 1 38.216 76.431 0.402 3.51 4 21.5 2.9
303 1 4 -4 38.26 76.521 0.402 3.5 4 60.9 23.3
304 1 3 -6 38.284 76.567 0.402 3.5 4 6.0 0.2
305 5 3 0 38.325 76.651 0.403 3.49 4 39.7 9.9
306 5 2 2 38.339 76.677 0.403 3.49 4 34.9 7.7
307 2 4 -4 38.359 76.718 0.403 3.49 4 28.5 5.1
308 7 1 -3 38.359 76.718 0.403 3.49 4 18.1 2.0
309 4 0 -8 38.48 76.959 0.404 3.47 2 75.6 17.8
310 7 1 -4 38.647 77.294 0.405 3.44 4 17.2 1.8
311 7 0 -5 38.693 77.386 0.406 3.43 2 13.8 0.6
312 6 2 0 38.78 77.56 0.407 3.42 4 91.6 51.6
313 3 1 -8 38.819 77.638 0.407 3.42 4 33.1 6.7
314 1 0 7 38.84 77.681 0.407 3.41 2 33.8 3.5
315 3 4 1 38.886 77.772 0.407 3.41 4 34.2 7.2
316 7 1 -2 38.888 77.776 0.408 3.41 4 61.4 23.1
317 5 1 3 39.041 78.082 0.409 3.38 4 30.0 5.5
318 6 0 -7 39.13 78.26 0.41 3.37 2 92.1 25.7
319 2 1 -8 39.144 78.288 0.41 3.37 4 75.9 34.9
320 7 0 -1 39.174 78.349 0.41 3.36 2 23.2 1.6
321 0 4 4 39.206 78.413 0.41 3.36 4 5.0 0.2
322 5 3 -5 39.351 78.703 0.412 3.34 4 38.1 8.7
323 1 0 -8 39.454 78.909 0.412 3.33 2 35.0 3.7
324 3 4 -4 39.5 79.0 0.413 3.32 4 93.7 52.3
325 4 3 -6 39.508 79.015 0.413 3.32 4 45.6 12.4
326 4 1 -8 39.535 79.071 0.413 3.31 4 11.7 0.8
327 4 4 -2 39.724 79.448 0.415 3.29 4 16.7 1.6
328 7 1 -5 39.747 79.494 0.415 3.29 4 33.6 6.7
329 1 1 7 39.893 79.786 0.416 3.27 4 26.2 4.0
330 0 3 6 39.959 79.917 0.417 3.26 4 35.0 7.2
331 4 4 -1 39.966 79.932 0.417 3.26 4 121.4 86.3
332 0 2 7 39.975 79.949 0.417 3.26 4 85.5 42.8
333 5 2 -7 40.18 80.36 0.419 3.23 4 10.7 0.7
334 6 1 -7 40.181 80.362 0.419 3.23 4 50.0 14.5
335 7 1 -1 40.225 80.45 0.419 3.23 4 27.2 4.3
336 5 0 -8 40.235 80.469 0.419 3.23 2 8.9 0.2
337 6 2 -6 40.251 80.501 0.419 3.22 4 8.8 0.4
338 4 4 -3 40.291 80.583 0.42 3.22 4 68.4 27.1
339 3 2 5 40.381 80.761 0.421 3.21 4 50.5 14.7
340 1 1 -8 40.503 81.006 0.422 3.19 4 69.2 27.5
341 5 3 1 40.557 81.114 0.422 3.19 4 55.4 17.6
342 6 0 2 40.573 81.147 0.422 3.19 2 41.3 4.9
343 7 0 -6 40.601 81.201 0.422 3.18 2 24.1 1.7
344 2 4 3 40.628 81.257 0.423 3.18 4 79.9 36.5
345 4 2 4 40.725 81.451 0.424 3.17 4 48.2 13.2
346 3 3 4 40.889 81.779 0.425 3.15 4 6.1 0.2
347 4 4 0 41.014 82.027 0.426 3.14 4 18.6 2.0
348 6 3 -3 41.116 82.233 0.427 3.13 4 31.8 5.7
349 2 2 6 41.148 82.296 0.427 3.12 4 8.8 0.4
350 1 4 4 41.177 82.354 0.427 3.12 4 4.1 0.1
351 3 4 2 41.191 82.381 0.427 3.12 4 21.1 2.5
352 2 3 5 41.213 82.426 0.428 3.12 4 108.7 66.1
353 6 3 -2 41.275 82.551 0.428 3.11 4 35.5 7.0
354 2 4 -5 41.276 82.553 0.428 3.11 4 54.9 16.8
355 5 1 -8 41.279 82.557 0.428 3.11 4 22.8 2.9
356 7 0 0 41.314 82.627 0.429 3.11 2 34.2 3.3
357 6 2 1 41.367 82.734 0.429 3.1 4 44.0 10.8
358 7 2 -3 41.507 83.015 0.43 3.09 4 40.6 9.1
359 1 4 -5 41.541 83.082 0.43 3.08 4 23.2 3.0
360 6 1 2 41.616 83.231 0.431 3.07 4 11.4 0.7
361 4 0 5 41.621 83.243 0.431 3.07 2 23.4 1.5
362 7 1 -6 41.643 83.285 0.431 3.07 4 12.6 0.9
363 4 4 -4 41.66 83.321 0.431 3.07 4 49.5 13.5
364 4 3 3 41.675 83.35 0.432 3.07 4 40.6 9.1
365 3 0 6 41.72 83.44 0.432 3.06 2 19.7 1.1
366 6 3 -4 41.76 83.52 0.432 3.06 4 87.5 42.1
367 7 2 -4 41.79 83.58 0.433 3.06 4 86.6 41.2
368 0 0 8 41.839 83.678 0.433 3.05 2 36.3 3.6
369 3 2 -8 41.959 83.917 0.434 3.04 4 4.9 0.1
370 5 3 -6 41.973 83.945 0.434 3.04 4 14.8 1.2
371 7 2 -2 42.027 84.053 0.435 3.04 4 18.8 1.9
372 3 4 -5 42.039 84.077 0.435 3.03 4 13.8 1.0
373 5 2 3 42.177 84.354 0.436 3.02 4 9.2 0.5
374 2 3 -7 42.182 84.363 0.436 3.02 4 32.4 5.7
375 3 3 -7 42.222 84.445 0.436 3.02 4 49.6 13.3
376 6 3 -1 42.236 84.472 0.436 3.02 4 72.1 28.2
377 2 2 -8 42.278 84.556 0.437 3.01 4 22.6 2.8
378 7 1 0 42.353 84.705 0.437 3.01 4 69.3 26.0
379 0 5 1 42.561 85.121 0.439 2.99 4 23.2 2.9
380 5 0 4 42.628 85.256 0.44 2.98 2 21.4 1.2
381 1 3 6 42.641 85.282 0.44 2.98 4 32.7 5.7
382 4 1 5 42.659 85.318 0.44 2.98 4 46.0 11.3
383 4 2 -8 42.663 85.327 0.44 2.98 4 27.8 4.1
384 1 5 0 42.672 85.344 0.44 2.98 4 16.6 1.5
385 1 5 -1 42.712 85.425 0.44 2.98 4 14.8 1.2
386 3 1 6 42.757 85.514 0.441 2.97 4 75.5 30.5
387 0 4 5 42.829 85.657 0.441 2.97 4 65.7 23.0
388 4 4 1 42.856 85.712 0.441 2.97 4 2.2 0.0
389 7 2 -5 42.872 85.744 0.442 2.96 4 7.7 0.3
390 0 1 8 42.876 85.752 0.442 2.96 4 75.7 30.5
391 2 0 7 42.922 85.845 0.442 2.96 2 53.9 7.7
392 6 0 -8 42.995 85.99 0.443 2.95 2 88.5 20.8
393 1 2 7 43.016 86.032 0.443 2.95 4 61.9 20.3
394 1 3 -7 43.164 86.327 0.444 2.94 4 13.5 1.0
395 6 3 -5 43.201 86.403 0.444 2.94 4 41.6 9.2
396 4 3 -7 43.285 86.571 0.445 2.93 4 92.2 44.8
397 7 0 -7 43.288 86.575 0.445 2.93 2 28.2 2.1
398 6 2 -7 43.3 86.6 0.445 2.93 4 59.1 18.4
399 7 2 -1 43.344 86.687 0.446 2.93 4 3.6 0.1
400 1 5 1 43.431 86.861 0.446 2.92 4 6.7 0.2
401 3 0 -9 43.531 87.061 0.447 2.92 2 50.3 6.6
402 1 5 -2 43.551 87.102 0.447 2.91 4 36.7 7.1
403 5 3 2 43.561 87.121 0.447 2.91 4 81.3 34.6
404 1 2 -8 43.619 87.237 0.448 2.91 4 50.8 13.5
405 5 4 -2 43.624 87.247 0.448 2.91 4 80.0 33.5
406 5 1 4 43.663 87.326 0.448 2.91 4 41.4 9.0
407 0 5 2 43.758 87.516 0.449 2.9 4 36.9 7.1
408 4 4 -5 43.82 87.639 0.449 2.9 4 1.4 0.0
409 5 4 -3 43.824 87.649 0.449 2.9 4 11.8 0.7
410 4 0 -9 43.874 87.748 0.45 2.89 2 52.6 7.2
411 8 0 -4 43.878 87.756 0.45 2.89 2 82.4 17.6
412 2 5 -1 43.885 87.77 0.45 2.89 4 64.3 21.5
413 8 0 -3 43.955 87.911 0.451 2.89 2 87.6 19.9
414 2 1 7 43.956 87.913 0.451 2.89 4 13.0 0.9
415 6 3 0 43.991 87.982 0.451 2.88 4 1.4 0.0
416 6 1 -8 44.029 88.058 0.451 2.88 4 25.7 3.4
417 2 4 4 44.15 88.3 0.452 2.88 4 61.1 19.3
418 2 5 0 44.204 88.407 0.453 2.87 4 41.1 8.7
419 2 0 -9 44.207 88.414 0.453 2.87 2 41.4 4.4
420 5 4 -1 44.22 88.44 0.453 2.87 4 67.6 23.6
421 7 0 1 44.23 88.46 0.453 2.87 2 93.6 22.6
422 3 4 3 44.268 88.536 0.453 2.87 4 38.7 7.7
423 7 1 -7 44.321 88.642 0.454 2.86 4 122.5 77.2
424 2 5 -2 44.364 88.728 0.454 2.86 4 26.8 3.7
425 5 2 -8 44.387 88.773 0.454 2.86 4 80.0 32.9
426 3 1 -9 44.564 89.127 0.455 2.85 4 76.1 29.7
427 8 0 -5 44.597 89.194 0.456 2.85 2 60.6 9.4
428 6 2 2 44.721 89.442 0.457 2.84 4 51.3 13.4
429 6 0 3 44.732 89.464 0.457 2.84 2 69.8 12.4
430 7 2 -6 44.748 89.496 0.457 2.84 4 82.6 34.9
431 5 4 -4 44.822 89.643 0.458 2.84 4 18.6 1.8
432 8 0 -2 44.83 89.66 0.458 2.84 2 141.2 50.8
433 4 1 -9 44.907 89.814 0.458 2.83 4 64.2 21.0
434 8 1 -4 44.911 89.821 0.458 2.83 4 20.5 2.1
435 2 4 -6 44.952 89.904 0.459 2.83 4 96.3 47.1
436 1 5 2 44.985 89.969 0.459 2.83 4 28.8 4.2
437 8 1 -3 44.988 89.976 0.459 2.83 4 0.5 0.0
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 0 1 4.783 9.566 9.23821 136.8 6.8 6.9 5.6
2 1 0 0 5.412 10.823 8.16739 181.9 9.1 9.2 5.6
3 1 0 -1 5.621 11.242 7.86389 496.8 24.8 25.1 5.6
4 1 0 1 8.549 17.098 5.18155 403.2 20.1 20.3 5.6
5 1 0 -2 8.949 17.898 4.95168 236.0 11.8 11.9 5.6
6 0 1 1 9.092 18.185 4.8743 129.0 6.4 6.5 5.6
7 1 1 0 9.443 18.885 4.69512 265.7 13.2 13.4 5.6
8 1 1 -1 9.566 19.131 4.63525 21.0 1.0 1.1 5.6
9 0 0 2 9.599 19.199 4.6191 253.7 12.6 12.8 5.6
10 2 0 -2 11.297 22.595 3.93195 105.1 5.2 5.3 5.6
11 1 1 1 11.555 23.109 3.84563 33.8 1.7 1.7 5.6
12 1 1 -2 11.857 23.714 3.7488 151.7 7.6 7.6 5.6
13 0 1 2 12.361 24.723 3.59812 176.2 8.8 8.8 5.6
14 2 1 -1 12.662 25.324 3.51411 799.5 39.8 40.0 5.6
15 2 1 0 13.386 26.773 3.32711 236.4 11.8 11.8 5.6
16 2 0 1 13.568 27.136 3.28342 156.2 7.8 7.8 5.6
17 2 1 -2 13.738 27.476 3.2435 70.4 3.5 3.5 5.6
18 2 0 -3 14.255 28.51 3.12817 84.6 4.2 4.2 5.6
19 1 1 2 15.028 30.055 2.97078 79.7 4.0 4.0 5.6
20 3 0 -1 15.144 30.288 2.94853 26.2 1.3 1.3 5.6
21 3 0 -2 15.381 30.761 2.9042 484.2 24.1 24.1 5.6
22 1 1 -3 15.423 30.847 2.89636 2006.8 100.0 100.0 5.6
23 0 2 0 15.574 31.148 2.869 703.5 35.1 35.0 5.6
24 2 1 1 15.682 31.363 2.84983 252.6 12.6 12.6 5.6
25 2 1 -3 16.287 32.575 2.74654 36.3 1.8 1.8 5.6
26 0 2 1 16.328 32.656 2.73991 110.8 5.5 5.5 5.6
27 3 0 0 16.435 32.871 2.72246 282.5 14.1 14.1 5.6
28 0 1 3 16.492 32.984 2.71335 591.5 29.5 29.4 5.6
29 1 2 0 16.533 33.066 2.70685 780.0 38.9 38.8 5.6
30 3 1 -1 17.08 34.161 2.62255 1142.9 56.9 56.8 5.7
31 2 0 2 17.296 34.593 2.59077 583.9 29.1 29.0 5.7
32 1 0 3 17.48 34.96 2.56445 35.0 1.7 1.7 5.7
33 1 0 -4 17.964 35.928 2.49754 108.1 5.4 5.4 5.7
34 1 2 -2 18.077 36.154 2.48242 153.6 7.7 7.6 5.7
35 2 0 -4 18.127 36.253 2.47584 37.1 1.9 1.8 5.7
36 3 1 0 18.25 36.5 2.45965 38.1 1.9 1.9 5.7
37 0 2 2 18.425 36.849 2.43715 136.7 6.8 6.8 5.7
38 3 1 -3 18.848 37.697 2.38428 248.5 12.4 12.3 5.7
39 3 0 1 18.978 37.957 2.36856 29.3 1.5 1.5 5.7
40 1 1 3 19.208 38.416 2.34126 36.6 1.8 1.8 5.7
41 2 2 -2 19.412 38.824 2.31763 300.9 15.0 14.9 5.7
42 1 1 -4 19.656 39.311 2.29002 42.5 2.1 2.1 5.7
43 2 1 -4 19.806 39.613 2.27326 74.7 3.7 3.7 5.7
44 3 0 -4 19.936 39.872 2.2591 154.3 7.7 7.6 5.7
45 1 2 2 20.382 40.763 2.21173 174.1 8.7 8.6 5.7
46 3 1 1 20.599 41.198 2.18937 40.5 2.0 2.0 5.7
47 4 0 -1 20.64 41.281 2.18518 480.0 23.9 23.7 5.7
48 1 2 -3 20.687 41.373 2.18051 146.0 7.3 7.2 5.7
49 2 2 1 20.888 41.775 2.16044 423.2 21.1 20.9 5.7
50 0 1 4 21.071 42.142 2.14251 121.3 6.0 6.0 5.7
51 4 0 -3 21.122 42.244 2.13756 123.0 6.1 6.1 5.7
52 2 2 -3 21.365 42.73 2.11439 346.6 17.3 17.1 5.7
53 0 2 3 21.528 43.055 2.09913 342.0 17.0 16.8 5.7
54 2 0 3 21.612 43.225 2.09131 166.0 8.3 8.2 5.7
55 4 1 -1 22.16 44.32 2.04211 107.1 5.3 5.3 5.7
56 2 0 -5 22.533 45.067 2.01001 58.2 2.9 2.9 5.7
57 4 1 -3 22.616 45.231 2.00308 32.1 1.6 1.6 5.7
58 2 1 3 23.081 46.161 1.96487 95.9 4.8 4.7 5.7
59 3 2 -3 23.456 46.911 1.93519 76.9 3.8 3.8 5.7
60 2 2 2 23.616 47.231 1.92281 307.4 15.3 15.1 5.7
61 1 2 3 23.758 47.516 1.91198 31.5 1.6 1.5 5.7
62 1 1 4 23.824 47.648 1.90696 227.6 11.3 11.2 5.7
63 2 2 -4 24.264 48.529 1.8744 217.7 10.8 10.7 5.7
64 1 3 0 24.433 48.865 1.86228 61.4 3.1 3.0 5.7
65 0 0 5 24.639 49.278 1.84764 72.8 3.6 3.6 5.7
66 3 1 -5 24.962 49.923 1.82527 38.6 1.9 1.9 5.7
67 0 2 4 25.351 50.701 1.79906 104.1 5.2 5.1 5.8
68 5 0 -2 25.67 51.34 1.77816 87.9 4.4 4.3 5.8
69 2 3 -1 26.003 52.007 1.75694 246.3 12.3 12.0 5.8
70 4 2 -1 26.302 52.604 1.73837 41.9 2.1 2.0 5.8
71 2 0 4 26.338 52.675 1.7362 48.1 2.4 2.3 5.8
72 2 3 0 26.405 52.81 1.7321 91.8 4.6 4.5 5.8
73 2 2 3 27.116 54.232 1.68998 64.8 3.2 3.1 5.8
74 4 1 -5 27.211 54.422 1.68453 149.5 7.4 7.3 5.8
75 2 0 -6 27.333 54.666 1.67758 113.5 5.7 5.5 5.8
76 4 2 0 27.583 55.166 1.66356 122.7 6.1 6.0 5.8
77 1 3 -3 27.618 55.235 1.66163 325.8 16.2 15.8 5.8
78 5 1 -1 27.7 55.4 1.65708 111.8 5.6 5.4 5.8
79 3 2 2 27.796 55.592 1.65181 384.8 19.2 18.7 5.8
80 1 0 -6 28.087 56.173 1.63608 222.4 11.1 10.8 5.8
81 5 0 0 28.135 56.271 1.63348 43.5 2.2 2.1 5.8
82 1 2 -5 28.215 56.43 1.62926 43.2 2.2 2.1 5.8
83 0 3 3 28.3 56.6 1.62477 108.4 5.4 5.3 5.8
84 4 2 -4 28.357 56.715 1.62175 522.7 26.0 25.3 5.8
85 5 1 -4 28.424 56.849 1.61824 83.9 4.2 4.1 5.8
86 2 1 -6 28.58 57.16 1.61018 38.2 1.9 1.8 5.8
87 3 3 -1 28.688 57.376 1.60463 264.5 13.2 12.8 5.8
88 1 1 5 28.793 57.586 1.59927 205.2 10.2 9.9 5.8
89 3 1 -6 29.052 58.104 1.58624 62.3 3.1 3.0 5.8
90 4 1 2 29.211 58.421 1.57838 171.3 8.5 8.3 5.8
91 5 1 0 29.36 58.72 1.57106 22.7 1.1 1.1 5.8
92 4 0 -6 29.504 59.007 1.56408 170.0 8.5 8.2 5.8
93 3 3 -3 29.903 59.806 1.54508 39.9 2.0 1.9 5.8
94 0 0 6 30.018 60.037 1.5397 24.8 1.2 1.2 5.8
95 5 1 -5 30.519 61.038 1.51683 27.0 1.3 1.3 5.8
96 4 1 -6 30.694 61.387 1.50903 25.7 1.3 1.2 5.8
97 5 2 -1 31.316 62.631 1.48202 112.2 5.6 5.4 5.8
98 0 3 4 31.527 63.054 1.4731 36.8 1.8 1.8 5.9
99 5 1 1 31.859 63.718 1.45934 31.6 1.6 1.5 5.9
100 4 0 3 31.943 63.885 1.45592 26.6 1.3 1.3 5.9
101 5 2 -4 31.989 63.978 1.45404 66.7 3.3 3.2 5.9
102 6 0 -4 32.036 64.073 1.4521 85.6 4.3 4.1 5.9
103 2 2 -6 32.134 64.267 1.44818 173.9 8.7 8.3 5.9
104 4 3 -1 32.358 64.716 1.43922 31.9 1.6 1.5 5.9
105 0 4 0 32.477 64.955 1.4345 391.1 19.5 18.7 5.9
106 2 1 5 32.578 65.156 1.43055 166.1 8.3 7.9 5.9
107 4 2 2 32.723 65.446 1.42491 196.3 9.8 9.4 5.9
108 4 1 3 33.082 66.163 1.4112 35.3 1.8 1.7 5.9
109 6 1 -4 33.174 66.348 1.40772 72.5 3.6 3.5 5.9
110 1 3 4 33.667 67.335 1.38947 150.3 7.5 7.2 5.9
111 1 4 1 33.86 67.72 1.3825 21.7 1.1 1.0 5.9
112 5 0 2 34.0 68.0 1.37748 48.6 2.4 2.3 5.9
113 1 1 6 34.124 68.248 1.37307 25.5 1.3 1.2 5.9
114 0 2 6 34.595 69.19 1.35668 74.4 3.7 3.5 5.9
115 6 1 -5 34.723 69.447 1.35228 20.2 1.0 1.0 5.9
116 4 1 -7 34.813 69.626 1.34924 66.3 3.3 3.1 5.9
117 5 1 2 35.105 70.211 1.33942 42.0 2.1 2.0 5.9
118 0 0 7 35.708 71.417 1.31974 31.3 1.6 1.5 5.9
119 2 4 1 35.872 71.744 1.31452 21.3 1.1 1.0 5.9
120 6 2 -2 35.975 71.949 1.31127 101.1 5.0 4.8 5.9
121 3 0 5 36.13 72.259 1.30642 42.9 2.1 2.0 5.9
122 4 2 3 36.391 72.782 1.29831 83.1 4.1 3.9 6.0
123 6 2 -4 36.479 72.959 1.2956 209.1 10.4 9.9 6.0
124 5 2 -6 36.7 73.4 1.2889 74.2 3.7 3.5 6.0
125 2 3 4 36.811 73.623 1.28555 110.4 5.5 5.2 6.0
126 5 3 -1 36.885 73.769 1.28336 65.4 3.3 3.1 6.0
127 6 2 -1 36.973 73.946 1.28073 98.8 4.9 4.7 6.0
128 3 4 0 37.369 74.738 1.2691 58.3 2.9 2.7 6.0
129 5 3 -4 37.509 75.018 1.26506 23.0 1.1 1.1 6.0
130 2 3 -6 37.644 75.288 1.2612 20.1 1.0 0.9 6.0
131 3 0 -8 37.757 75.515 1.25797 34.7 1.7 1.6 6.0
132 1 3 5 37.829 75.658 1.25594 100.1 5.0 4.7 6.0
133 2 4 2 37.864 75.727 1.25497 122.1 6.1 5.7 6.0
134 6 2 -5 37.97 75.939 1.25199 45.4 2.3 2.1 6.0
135 3 3 -6 38.055 76.111 1.2496 62.0 3.1 2.9 6.0
136 4 3 2 38.194 76.388 1.24574 73.2 3.6 3.4 6.0
137 1 4 -4 38.26 76.521 1.24392 23.6 1.2 1.1 6.0
138 6 2 0 38.78 77.56 1.22983 51.6 2.6 2.4 6.0
139 7 1 -2 38.888 77.776 1.22695 30.2 1.5 1.4 6.0
140 2 1 -8 39.144 78.288 1.22021 60.6 3.0 2.8 6.0
141 3 4 -4 39.5 79.0 1.21099 64.7 3.2 3.0 6.0
142 0 2 7 39.975 79.949 1.19897 136.3 6.8 6.3 6.0
143 4 4 -3 40.291 80.583 1.19114 27.1 1.3 1.3 6.1
144 1 1 -8 40.503 81.006 1.18598 27.5 1.4 1.3 6.1
145 5 3 1 40.557 81.114 1.18467 22.4 1.1 1.0 6.1
146 2 4 3 40.628 81.257 1.18295 38.2 1.9 1.8 6.1
147 2 3 5 41.213 82.426 1.16911 68.6 3.4 3.2 6.1
148 2 4 -5 41.276 82.553 1.16764 26.8 1.3 1.2 6.1
149 4 4 -4 41.66 83.321 1.15881 22.6 1.1 1.0 6.1
150 6 3 -4 41.76 83.52 1.15655 83.3 4.2 3.8 6.1
151 6 3 -1 42.236 84.472 1.14593 41.5 2.1 1.9 6.1
152 7 1 0 42.353 84.705 1.14337 26.0 1.3 1.2 6.1
153 4 1 5 42.659 85.318 1.13672 23.9 1.2 1.1 6.1
154 3 1 6 42.757 85.514 1.13461 30.5 1.5 1.4 6.1
155 0 4 5 42.829 85.657 1.13308 23.0 1.1 1.1 6.1
156 0 1 8 42.876 85.752 1.13208 30.5 1.5 1.4 6.1
157 6 0 -8 42.995 85.99 1.12955 41.1 2.0 1.9 6.1
158 4 3 -7 43.285 86.571 1.12346 65.2 3.3 3.0 6.1
159 5 3 2 43.561 87.121 1.11777 48.3 2.4 2.2 6.1
160 5 4 -2 43.624 87.247 1.11648 47.0 2.3 2.1 6.2
161 2 5 -1 43.885 87.77 1.11117 46.3 2.3 2.1 6.2
162 8 0 -3 43.955 87.911 1.10976 20.8 1.0 0.9 6.2
163 7 0 1 44.23 88.46 1.10428 59.3 3.0 2.7 6.2
164 7 1 -7 44.321 88.642 1.10248 77.2 3.8 3.5 6.2
165 5 2 -8 44.387 88.773 1.10119 36.6 1.8 1.7 6.2
166 3 1 -9 44.564 89.127 1.09773 29.7 1.5 1.3 6.2
167 7 2 -6 44.748 89.496 1.09416 60.7 3.0 2.8 6.2
168 8 0 -2 44.83 89.66 1.09259 52.6 2.6 2.4 6.2
169 4 1 -9 44.907 89.814 1.09111 23.1 1.2 1.0 6.2
170 2 4 -6 44.952 89.904 1.09025 47.1 2.3 2.1 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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