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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ALLANITE_CE
1, s-allanite
Ca[TR(0.74)Ca(0.26)][Al(0.66)Fe(0.34)]Al[Al(0.17)Fe(0.85)]Si(3)O(13)H
Monoclinic P 2(1)/m Z = 2
P2(1)/m
27 .4 .1990
Ref.Str.:
W.A.Dollase (1971)
* Amer. Mineral., 56, 447-464
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.927 alpha = 90.0
b = 5.761 beta = 114.77
c = 10.15 gamma = 90.0
Unit cell volume (cub. angs.) = 473.97
Molar volume ( cub.cm/mol.) = 142.75
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7585 0.75 0.1517 1.0 Ca = 1.00
2 0.5936 0.75 0.4286 0.7 Ce = 0.48, La = 0.26, Ca = 0.26
3 0.3389 0.75 0.0369 0.7 Si = 1.00
4 0.6866 0.25 0.2799 0.7 Si = 1.00
5 0.1888 0.75 0.324 0.6 Si = 1.00
6 0.0 0.0 0.0 0.6 Al = 0.66, Fe = 0.34
7 0.0 0.0 0.5 0.6 Al = 1.00
8 0.303 0.25 0.2148 0.9 Al = 0.17, Fe = 0.83
9 0.2339 0.9892 0.0263 1.3 O = 1.00
10 0.3109 0.9679 0.363 1.1 O = 1.00
11 0.7962 0.0144 0.3376 1.0 O = 1.00
12 0.0561 0.25 0.1306 1.2 O = 1.00
13 0.0494 0.75 0.1529 1.2 O = 1.00
14 0.0674 0.75 0.4119 0.9 O = 1.00
15 0.507 0.75 0.1779 1.0 O = 1.00
16 0.5396 0.25 0.3314 1.5 O = 1.00
17 0.6134 0.25 0.1037 1.7 O = 1.00
18 0.0858 0.25 0.428 1.2 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7585 0.75 0.1517
2 2 0.5936 0.75 0.4286
3 3 0.3389 0.75 0.0369
4 4 0.6866 0.25 0.2799
5 5 0.1888 0.75 0.324
6 6 0.0 0.0 0.0
7 7 0.0 0.0 0.5
8 8 0.303 0.25 0.2148
9 9 0.2339 0.9892 0.0263
10 10 0.3109 0.9679 0.363
11 11 0.7962 0.0144 0.3376
12 12 0.0561 0.25 0.1306
13 13 0.0494 0.75 0.1529
14 14 0.0674 0.75 0.4119
15 15 0.507 0.75 0.1779
16 16 0.5396 0.25 0.3314
17 17 0.6134 0.25 0.1037
18 18 0.0858 0.25 0.428
19 1 0.2415 0.25 0.8483
20 2 0.4064 0.25 0.5714
21 3 0.6611 0.25 0.9631
22 4 0.3134 0.75 0.7201
23 5 0.8112 0.25 0.676
24 6 0.0 0.5 0.0
25 7 0.0 0.5 0.5
26 8 0.697 0.75 0.7852
27 9 0.7661 0.4892 0.9737
28 10 0.6891 0.4679 0.637
29 11 0.2038 0.5144 0.6624
30 12 0.9439 0.75 0.8694
31 13 0.9506 0.25 0.8471
32 14 0.9326 0.25 0.5881
33 15 0.493 0.25 0.8221
34 16 0.4604 0.75 0.6686
35 17 0.3866 0.75 0.8963
36 18 0.9142 0.75 0.572
37 9 0.2339 0.5108 0.0263
38 10 0.3109 0.5321 0.363
39 11 0.7962 0.4856 0.3376
40 9 0.7661 0.0108 0.9737
41 10 0.6891 0.0321 0.637
42 11 0.2038 0.9856 0.6624
X-ray density (g/cm cub.) = 3.93
MU (1/cm) = 577.246 Mass attenuation coefficient (cm**2/g) = 146.941
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 6
2.337 11
2.5918 13
2.3689 15
2.3725 9
2.337 11
2.3725 9
2 Ce ,La ,Ca 2.88 8
2.642 10
2.8007 11
2.329 15
2.5162 10
2.6113 18
2.642 10
2.8007 11
2.5162 10
3 Si 2.1 4
1.6446 9
1.5813 15
1.6514 17
1.6446 9
4 Si 2.1 4
1.6317 11
1.6032 16
1.6267 17
1.6317 11
5 Si 2.1 4
1.5997 10
1.6594 13
1.6675 14
1.5997 10
6 Al ,Fe 2.592 6
1.992 9
1.8778 12
2.0258 13
1.8778 12
2.0258 13
1.992 9
7 Al 2.316 6
1.8764 11
1.9201 14
1.9142 18
1.9201 14
1.9142 18
1.8764 11
8 Al ,Fe 2.592 6
2.3043 9
2.1954 10
2.0025 12
1.9409 16
2.3043 9
2.1954 10
9 O 3.264 9
3.1935 10
2.7029 12
2.8348 13
2.6584 15
2.7717 12
2.8473 13
2.6468 17
3.0049 9
2.7561 9
10 O 3.264 9
3.1935 9
2.9805 12
2.7206 13
2.7297 14
2.7315 16
2.868 18
3.0837 16
3.2504 10
2.5106 10
11 O 3.264 9
2.687 14
2.8471 15
2.6406 16
2.6259 17
2.7166 18
2.6824 14
2.6439 18
2.7146 11
3.0464 11
12 O 3.264 10
2.7029 9
2.9805 10
2.892 13
2.892 13
2.9175 18
2.7717 9
2.6261 13
2.7029 9
2.9805 10
2.7717 9
13 O 3.264 10
2.8348 9
2.7206 10
2.892 12
2.892 12
2.5657 14
2.8473 9
2.6261 12
2.8348 9
2.7206 10
2.8473 9
14 O 3.264 10
2.7297 10
2.687 11
2.5657 13
2.8859 18
2.8859 18
2.6824 11
2.5245 18
2.7297 10
2.687 11
2.6824 11
15 O 3.264 9
2.6584 9
2.8471 11
3.2295 16
3.2295 16
3.2196 17
3.2196 17
2.5982 17
2.6584 9
2.8471 11
16 O 3.264 9
2.7315 10
2.6406 11
3.2295 15
3.2295 15
2.6554 17
3.0837 10
2.7315 10
2.6406 11
3.0837 10
17 O 3.264 8
2.6259 11
3.2196 15
3.2196 15
2.6554 16
2.6468 9
2.5982 15
2.6259 11
2.6468 9
18 O 3.264 10
2.868 10
2.7166 11
2.9175 12
2.8859 14
2.8859 14
2.6439 11
2.5245 14
2.868 10
2.7166 11
2.6439 11
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 0 0 1 5.57 11.139 0.054 209.35 2 35.5 234.5
2 1 0 0 6.335 12.671 0.062 161.28 2 31.0 138.0
3 1 0 -1 6.451 12.901 0.063 155.49 2 49.4 338.1
4 1 0 1 10.07 20.139 0.098 62.51 2 49.6 136.7
5 1 0 -2 10.29 20.579 0.1 59.77 2 54.5 158.1
6 0 1 1 10.55 21.101 0.102 56.75 4 23.9 57.6
7 1 1 0 10.981 21.962 0.106 52.22 4 37.5 131.0
8 1 1 -1 11.049 22.098 0.107 51.56 4 18.8 32.4
9 0 0 2 11.193 22.385 0.109 50.19 2 47.6 101.2
10 2 0 -1 11.563 23.126 0.112 46.89 2 2.3 0.2
11 2 0 0 12.75 25.5 0.123 38.2 2 29.0 28.7
12 2 0 -2 12.985 25.97 0.126 36.75 2 40.8 54.5
13 1 1 1 13.523 27.045 0.131 33.73 4 26.2 41.1
14 1 1 -2 13.69 27.38 0.132 32.86 4 33.9 67.2
15 0 1 2 14.392 28.785 0.139 29.55 4 46.3 112.7
16 2 1 -1 14.687 29.375 0.142 28.29 4 110.2 611.8
17 1 0 2 15.093 30.186 0.146 26.69 2 9.5 2.2
18 1 0 -3 15.345 30.69 0.148 25.76 2 18.8 8.1
19 2 1 0 15.655 31.31 0.151 24.67 4 53.3 124.9
20 2 1 -2 15.85 31.7 0.153 24.02 4 29.3 36.8
21 2 0 1 16.011 32.022 0.154 23.51 2 83.5 145.8
22 2 0 -3 16.392 32.783 0.158 22.34 2 33.7 22.6
23 0 0 3 16.927 33.855 0.163 20.83 2 24.5 11.1
24 1 1 2 17.648 35.296 0.169 19.02 4 32.6 35.9
25 3 0 -1 17.666 35.331 0.17 18.98 2 6.5 0.7
26 3 0 -2 17.798 35.595 0.171 18.67 2 116.7 226.6
27 1 1 -3 17.867 35.735 0.172 18.52 4 189.9 1189.2
28 0 2 0 18.091 36.181 0.174 18.02 2 171.6 472.5
29 2 1 1 18.452 36.905 0.177 17.25 4 66.1 134.2
30 2 1 -3 18.789 37.579 0.18 16.58 4 11.9 4.2
31 0 2 1 18.986 37.972 0.182 16.2 4 38.4 42.6
32 1 2 0 19.241 38.483 0.184 15.73 4 117.9 389.3
33 0 1 3 19.267 38.534 0.184 15.68 4 122.2 417.0
34 1 2 -1 19.282 38.564 0.185 15.66 4 18.7 9.8
35 3 0 0 19.332 38.665 0.185 15.57 2 102.4 145.4
36 3 0 -3 19.697 39.394 0.188 14.93 2 62.1 51.3
37 3 1 -1 19.93 39.86 0.191 14.55 4 150.3 585.0
38 3 1 -2 20.049 40.099 0.192 14.36 4 36.2 33.6
39 2 0 2 20.468 40.937 0.195 13.71 2 147.6 265.9
40 1 0 3 20.607 41.214 0.197 13.51 2 33.4 13.4
41 1 0 -4 20.877 41.753 0.199 13.12 2 62.9 46.2
42 1 2 1 20.877 41.754 0.199 13.12 4 22.9 12.2
43 2 0 -4 20.931 41.862 0.2 13.04 2 51.8 31.1
44 1 2 -2 20.992 41.983 0.2 12.96 4 55.7 71.6
45 3 1 0 21.448 42.895 0.204 12.35 4 29.1 18.7
46 0 2 2 21.481 42.963 0.205 12.31 4 59.1 76.5
47 2 2 -1 21.691 43.382 0.207 12.04 4 25.0 13.3
48 3 1 -3 21.783 43.565 0.207 11.93 4 92.8 183.0
49 2 2 0 22.393 44.787 0.213 11.21 4 2.9 0.2
50 3 0 1 22.459 44.917 0.214 11.13 2 33.0 10.8
51 2 1 2 22.495 44.991 0.214 11.09 4 10.8 2.3
52 2 2 -2 22.538 45.075 0.214 11.04 4 83.6 137.3
53 1 1 3 22.624 45.248 0.215 10.95 4 25.2 12.4
54 0 0 4 22.843 45.687 0.217 10.71 2 11.6 1.3
55 1 1 -4 22.874 45.749 0.217 10.68 4 54.0 55.4
56 2 1 -4 22.925 45.85 0.218 10.63 4 55.0 57.3
57 3 0 -4 22.995 45.991 0.218 10.55 2 92.9 81.0
58 4 0 -2 23.634 47.268 0.224 9.92 2 48.8 21.0
59 1 2 2 23.907 47.814 0.227 9.66 4 66.7 76.6
60 1 2 -3 24.078 48.157 0.228 9.51 4 67.4 76.9
61 4 0 -1 24.224 48.449 0.229 9.38 2 161.3 217.3
62 3 1 1 24.353 48.706 0.231 9.27 4 38.5 24.4
63 4 0 -3 24.496 48.992 0.232 9.14 2 87.3 62.0
64 2 2 1 24.54 49.08 0.232 9.11 4 117.6 224.2
65 0 1 4 24.715 49.431 0.234 8.96 4 63.9 65.1
66 2 2 -3 24.809 49.618 0.235 8.88 4 118.4 221.6
67 3 1 -4 24.858 49.717 0.235 8.84 4 11.1 1.9
68 0 2 3 25.193 50.387 0.238 8.58 4 96.4 141.9
69 4 1 -2 25.462 50.924 0.24 8.37 4 8.7 1.1
70 2 0 3 25.646 51.293 0.242 8.24 2 117.3 100.9
71 3 2 -1 25.733 51.467 0.243 8.17 4 3.6 0.2
72 3 2 -2 25.831 51.662 0.244 8.1 4 43.3 27.0
73 4 1 -1 26.021 52.042 0.245 7.97 4 33.0 15.5
74 2 0 -5 26.165 52.331 0.246 7.87 2 54.4 20.8
75 4 0 0 26.193 52.386 0.247 7.85 2 41.3 11.9
76 4 1 -3 26.279 52.558 0.247 7.79 4 30.7 13.0
77 1 0 4 26.478 52.956 0.249 7.66 2 5.3 0.2
78 3 0 2 26.645 53.29 0.251 7.55 2 17.1 2.0
79 4 0 -4 26.705 53.409 0.251 7.51 2 52.9 18.7
80 1 0 -5 26.764 53.529 0.252 7.47 2 13.2 1.2
81 3 2 0 26.994 53.987 0.254 7.33 4 18.3 4.4
82 3 2 -3 27.276 54.553 0.256 7.16 4 36.5 16.9
83 3 0 -5 27.307 54.614 0.256 7.14 2 41.9 11.1
84 2 1 3 27.375 54.751 0.257 7.1 4 48.9 30.2
85 2 1 -5 27.872 55.744 0.261 6.82 4 3.5 0.1
86 2 2 2 27.883 55.765 0.261 6.81 4 114.2 158.2
87 4 1 0 27.899 55.797 0.262 6.8 4 29.5 10.5
88 1 2 3 27.993 55.985 0.262 6.75 4 47.7 27.4
89 1 1 4 28.171 56.343 0.264 6.65 4 77.0 70.3
90 1 2 -4 28.208 56.415 0.264 6.63 4 30.1 10.7
91 2 2 -4 28.251 56.502 0.265 6.61 4 114.5 154.4
92 3 1 2 28.332 56.664 0.265 6.57 4 76.7 68.7
93 4 1 -4 28.389 56.778 0.266 6.54 4 23.1 6.2
94 0 3 1 28.411 56.821 0.266 6.53 4 13.2 2.0
95 1 1 -5 28.446 56.893 0.266 6.51 4 18.0 3.8
96 1 3 0 28.599 57.198 0.268 6.43 4 54.3 33.7
97 1 3 -1 28.629 57.259 0.268 6.41 4 19.1 4.2
98 3 1 -5 28.968 57.936 0.271 6.25 4 32.3 11.6
99 0 0 5 29.03 58.06 0.271 6.22 2 70.3 27.3
100 4 0 1 29.344 58.688 0.274 6.07 2 11.7 0.7
101 3 2 1 29.492 58.984 0.275 6.0 4 36.6 14.3
102 0 2 4 29.81 59.62 0.278 5.86 4 55.2 31.8
103 1 3 1 29.836 59.672 0.278 5.84 4 29.3 9.0
104 1 3 -2 29.925 59.849 0.279 5.81 4 23.0 5.5
105 3 2 -4 29.936 59.872 0.279 5.8 4 40.0 16.5
106 4 0 -5 30.055 60.11 0.28 5.75 2 7.1 0.3
107 5 0 -2 30.156 60.312 0.281 5.71 2 112.8 64.6
108 5 0 -3 30.302 60.605 0.282 5.65 2 15.8 1.2
109 0 3 2 30.306 60.611 0.282 5.64 4 32.4 10.6
110 2 3 -1 30.47 60.939 0.283 5.58 4 92.4 84.9
111 4 2 -2 30.47 60.94 0.283 5.58 4 74.7 55.4
112 0 1 5 30.631 61.261 0.285 5.51 4 4.9 0.2
113 4 1 1 30.934 61.869 0.287 5.39 4 28.4 7.7
114 4 2 -1 30.969 61.937 0.288 5.38 4 58.8 33.1
115 2 3 0 31.026 62.052 0.288 5.36 4 50.3 24.1
116 2 3 -2 31.141 62.282 0.289 5.31 4 29.0 7.9
117 4 2 -3 31.199 62.398 0.29 5.29 4 12.4 1.4
118 5 0 -1 31.24 62.48 0.29 5.28 2 60.4 17.1
119 2 0 4 31.385 62.769 0.291 5.22 2 61.6 17.6
120 4 1 -5 31.624 63.248 0.293 5.14 4 89.6 73.5
121 3 0 3 31.637 63.274 0.293 5.13 2 24.8 2.8
122 5 0 -4 31.67 63.34 0.293 5.12 2 2.7 0.0
123 5 1 -2 31.722 63.444 0.294 5.1 4 48.6 21.5
124 5 1 -3 31.865 63.729 0.295 5.05 4 7.0 0.4
125 2 0 -6 31.955 63.911 0.296 5.02 2 109.6 53.7
126 2 2 3 32.187 64.374 0.298 4.94 4 52.2 24.0
127 1 3 2 32.251 64.502 0.298 4.92 4 20.7 3.7
128 1 3 -3 32.392 64.784 0.299 4.88 4 126.4 138.7
129 3 0 -6 32.403 64.805 0.3 4.87 2 44.1 8.4
130 2 2 -5 32.638 65.276 0.301 4.8 4 17.9 2.7
131 4 2 0 32.662 65.324 0.302 4.79 4 76.6 50.0
132 1 0 5 32.742 65.485 0.302 4.76 2 42.5 7.7
133 2 3 1 32.774 65.548 0.303 4.75 4 52.7 23.5
134 5 1 -1 32.777 65.554 0.303 4.75 4 92.6 72.5
135 1 2 4 32.911 65.821 0.304 4.71 4 80.8 54.8
136 2 1 4 32.918 65.835 0.304 4.71 4 63.0 33.2
137 2 3 -3 32.997 65.995 0.304 4.69 4 14.3 1.7
138 1 0 -6 33.05 66.1 0.305 4.67 2 170.4 120.8
139 3 2 2 33.057 66.114 0.305 4.67 4 99.1 81.6
140 4 2 -4 33.109 66.219 0.305 4.65 4 153.7 195.7
141 1 2 -5 33.162 66.323 0.306 4.64 4 44.3 16.2
142 3 1 3 33.164 66.327 0.306 4.64 4 32.0 8.5
143 5 1 -4 33.196 66.391 0.306 4.63 4 70.8 41.3
144 0 3 3 33.319 66.638 0.307 4.59 4 91.0 67.6
145 2 1 -6 33.474 66.948 0.308 4.54 4 54.7 24.2
146 4 0 2 33.479 66.959 0.308 4.54 2 7.5 0.2
147 5 0 0 33.487 66.974 0.308 4.54 2 60.4 14.7
148 3 2 -5 33.64 67.28 0.31 4.5 4 33.8 9.1
149 3 3 -1 33.774 67.548 0.311 4.46 4 126.9 128.0
150 3 3 -2 33.857 67.713 0.311 4.44 4 44.9 15.9
151 3 1 -6 33.911 67.822 0.312 4.42 4 54.6 23.4
152 5 0 -5 34.176 68.352 0.314 4.35 2 10.1 0.4
153 1 1 5 34.243 68.486 0.315 4.33 4 110.2 93.7
154 4 0 -6 34.361 68.721 0.315 4.3 2 153.3 90.1
155 1 1 -6 34.544 69.088 0.317 4.26 4 17.4 2.3
156 3 3 0 34.851 69.702 0.319 4.18 4 16.5 2.0
157 4 1 2 34.965 69.929 0.32 4.15 4 110.5 90.2
158 5 1 0 34.972 69.944 0.32 4.15 4 48.8 17.6
159 3 3 -3 35.095 70.191 0.321 4.12 4 58.1 24.8
160 0 2 5 35.178 70.355 0.322 4.1 4 33.0 8.0
161 4 2 1 35.461 70.922 0.324 4.04 4 3.8 0.1
162 0 0 6 35.614 71.228 0.326 4.0 2 31.1 3.5
163 2 3 2 35.622 71.245 0.326 4.0 4 11.6 1.0
164 5 1 -5 35.648 71.296 0.326 4.0 4 50.8 18.3
165 1 3 3 35.719 71.437 0.326 3.98 4 2.5 0.0
166 4 1 -6 35.829 71.658 0.327 3.96 4 36.0 9.1
167 1 3 -4 35.907 71.813 0.328 3.94 4 33.2 7.7
168 2 3 -4 35.945 71.89 0.328 3.93 4 31.7 7.0
169 4 2 -5 36.106 72.212 0.329 3.9 4 38.8 10.4
170 5 2 -2 36.198 72.396 0.33 3.88 4 11.1 0.9
171 5 2 -3 36.332 72.664 0.331 3.85 4 22.4 3.5
172 5 0 1 36.793 73.587 0.335 3.76 2 21.1 1.5
173 6 0 -3 36.966 73.932 0.336 3.73 2 42.4 6.0
174 3 3 1 37.042 74.084 0.337 3.71 4 20.2 2.7
175 0 1 6 37.061 74.122 0.337 3.71 4 20.8 2.9
176 5 2 -1 37.192 74.383 0.338 3.68 4 76.0 37.9
177 2 2 4 37.325 74.649 0.339 3.66 4 33.2 7.2
178 0 3 4 37.326 74.653 0.339 3.66 4 49.7 16.1
179 3 0 4 37.346 74.692 0.339 3.66 2 24.7 2.0
180 6 0 -2 37.368 74.735 0.339 3.65 2 16.2 0.9
181 3 3 -4 37.439 74.878 0.34 3.64 4 2.5 0.0
182 3 2 3 37.558 75.115 0.341 3.62 4 6.2 0.2
183 5 2 -4 37.588 75.176 0.341 3.61 4 92.9 55.5
184 6 0 -4 37.684 75.369 0.342 3.6 2 118.1 44.7
185 2 0 5 37.698 75.396 0.342 3.59 2 25.1 2.0
186 5 0 -6 37.719 75.439 0.342 3.59 2 7.8 0.2
187 2 2 -6 37.852 75.704 0.343 3.57 4 107.5 73.4
188 4 3 -2 37.919 75.838 0.344 3.56 4 0.5 0.0
189 3 0 -7 38.215 76.43 0.346 3.51 2 1.6 0.0
190 5 1 1 38.223 76.446 0.346 3.51 4 51.4 16.5
191 3 2 -6 38.268 76.535 0.346 3.5 4 62.3 24.2
192 2 0 -7 38.329 76.658 0.347 3.49 2 30.9 3.0
193 4 3 -1 38.37 76.739 0.347 3.48 4 19.7 2.4
194 0 4 0 38.392 76.785 0.347 3.48 2 249.1 192.3
195 6 1 -3 38.394 76.787 0.347 3.48 4 20.6 2.6
196 4 0 3 38.487 76.973 0.348 3.47 2 66.6 13.7
197 4 3 -3 38.579 77.158 0.349 3.45 4 26.9 4.5
198 1 2 5 38.584 77.168 0.349 3.45 4 23.9 3.5
199 3 1 4 38.769 77.538 0.35 3.42 4 2.4 0.0
200 6 1 -2 38.79 77.58 0.35 3.42 4 50.8 15.7
201 1 2 -6 38.872 77.743 0.351 3.41 4 50.4 15.4
202 6 0 -1 38.877 77.754 0.351 3.41 2 22.6 1.6
203 0 4 1 38.946 77.891 0.351 3.4 4 23.1 3.2
204 6 1 -4 39.103 78.206 0.353 3.37 4 63.0 23.8
205 1 4 0 39.107 78.214 0.353 3.37 4 21.2 2.7
206 2 1 5 39.117 78.234 0.353 3.37 4 101.1 61.3
207 1 4 -1 39.133 78.266 0.353 3.37 4 28.9 5.0
208 5 1 -6 39.138 78.276 0.353 3.37 4 25.0 3.7
209 4 2 2 39.274 78.548 0.354 3.35 4 119.8 85.7
210 5 2 0 39.281 78.562 0.354 3.35 4 21.1 2.7
211 2 3 3 39.482 78.963 0.355 3.32 4 31.0 5.7
212 6 0 -5 39.502 79.004 0.356 3.32 2 42.0 5.2
213 4 0 -7 39.529 79.059 0.356 3.32 2 22.1 1.4
214 1 0 6 39.531 79.061 0.356 3.32 2 9.2 0.2
215 3 1 -7 39.628 79.256 0.357 3.3 4 63.6 23.8
216 2 1 -7 39.741 79.481 0.357 3.29 4 46.5 12.6
217 1 0 -7 39.868 79.736 0.358 3.27 2 6.4 0.1
218 2 3 -5 39.897 79.794 0.359 3.27 4 4.9 0.1
219 4 1 3 39.897 79.794 0.359 3.27 4 27.0 4.2
220 4 3 0 39.919 79.838 0.359 3.26 4 22.7 3.0
221 5 2 -5 39.93 79.86 0.359 3.26 4 14.4 1.2
222 4 2 -6 40.104 80.209 0.36 3.24 4 37.0 7.9
223 1 3 4 40.149 80.298 0.36 3.24 4 73.2 30.9
224 1 4 1 40.18 80.36 0.361 3.23 4 35.4 7.2
225 1 4 -2 40.257 80.515 0.361 3.22 4 31.9 5.9
226 6 1 -1 40.284 80.567 0.361 3.22 4 60.9 21.3
227 3 3 2 40.285 80.569 0.361 3.22 4 45.7 12.0
228 4 3 -4 40.333 80.666 0.362 3.21 4 13.2 1.0
229 1 3 -5 40.382 80.763 0.362 3.21 4 13.5 1.0
230 0 4 2 40.592 81.185 0.364 3.18 4 31.4 5.6
231 2 4 -1 40.737 81.475 0.365 3.17 4 1.2 0.0
232 3 3 -5 40.827 81.653 0.365 3.16 4 36.4 7.5
233 6 1 -5 40.903 81.806 0.366 3.15 4 42.8 10.3
234 4 1 -7 40.93 81.86 0.366 3.15 4 80.7 36.5
235 1 1 6 40.931 81.863 0.366 3.15 4 40.3 9.1
236 5 0 2 41.083 82.166 0.367 3.13 2 80.9 18.2
237 2 4 0 41.231 82.462 0.368 3.11 4 8.8 0.4
238 1 1 -7 41.266 82.532 0.369 3.11 4 11.8 0.8
239 0 2 6 41.295 82.591 0.369 3.11 4 80.0 35.4
240 2 4 -2 41.334 82.667 0.369 3.1 4 16.6 1.5
241 6 0 0 41.46 82.92 0.37 3.09 2 3.9 0.0
242 5 0 -7 42.238 84.477 0.376 3.02 2 39.7 4.2
243 0 3 5 42.271 84.542 0.376 3.01 4 8.2 0.4
244 1 4 2 42.332 84.664 0.376 3.01 4 4.4 0.1
245 6 0 -6 42.383 84.767 0.377 3.0 2 54.7 8.0
246 5 2 1 42.426 84.853 0.377 3.0 4 46.6 11.6
247 1 4 -3 42.46 84.92 0.377 3.0 4 14.8 1.2
248 5 1 2 42.473 84.946 0.377 3.0 4 59.0 18.6
249 4 3 1 42.539 85.078 0.378 2.99 4 20.4 2.2
250 6 2 -3 42.593 85.185 0.378 2.99 4 33.1 5.8
251 0 0 7 42.795 85.589 0.38 2.97 2 63.6 10.7
252 2 4 1 42.808 85.615 0.38 2.97 4 55.5 16.3
253 6 1 0 42.848 85.696 0.38 2.97 4 4.2 0.1
254 3 2 4 42.96 85.919 0.381 2.96 4 29.1 4.5
255 6 2 -2 42.981 85.961 0.381 2.96 4 93.4 45.9
256 2 4 -3 43.012 86.024 0.381 2.95 4 32.4 5.5
257 4 3 -5 43.153 86.306 0.382 2.94 4 72.8 27.7
258 5 3 -2 43.241 86.482 0.383 2.94 4 50.0 13.0
259 6 2 -4 43.287 86.574 0.383 2.93 4 92.7 44.9
260 2 2 5 43.301 86.601 0.383 2.93 4 9.0 0.4
261 0 4 3 43.307 86.614 0.383 2.93 4 6.3 0.2
262 5 2 -6 43.321 86.643 0.384 2.93 4 80.3 33.6
263 5 3 -3 43.368 86.737 0.384 2.93 4 13.9 1.0
264 5 1 -7 43.623 87.246 0.386 2.91 4 39.4 8.0
265 3 4 -1 43.727 87.454 0.386 2.9 4 2.1 0.0
266 6 1 -6 43.768 87.536 0.387 2.9 4 20.0 2.1
267 3 2 -7 43.802 87.605 0.387 2.9 4 8.2 0.3
268 3 4 -2 43.803 87.607 0.387 2.9 4 78.0 31.4
269 3 0 5 43.836 87.672 0.387 2.89 2 94.3 22.9
270 2 2 -7 43.913 87.827 0.388 2.89 4 2.2 0.0
271 4 2 3 44.067 88.134 0.389 2.88 4 87.2 39.0
272 0 1 7 44.178 88.356 0.39 2.87 4 43.0 9.5
273 5 3 -1 44.194 88.387 0.39 2.87 4 89.6 41.0
274 2 3 4 44.322 88.644 0.391 2.86 4 57.0 16.6
275 4 0 4 44.377 88.754 0.391 2.86 2 96.2 23.6
276 6 2 -1 44.448 88.897 0.391 2.86 4 67.6 23.2
277 3 3 3 44.547 89.094 0.392 2.85 4 31.5 5.0
278 5 3 -4 44.576 89.152 0.392 2.85 4 49.3 12.4
279 7 0 -3 44.598 89.197 0.392 2.85 2 39.7 4.0
280 3 4 0 44.73 89.46 0.393 2.84 4 65.0 21.4
281 2 0 6 44.742 89.484 0.393 2.84 2 56.5 8.1
282 7 0 -4 44.777 89.554 0.394 2.84 2 13.8 0.5
283 3 0 -8 44.831 89.662 0.394 2.84 2 63.6 10.2
284 2 3 -6 44.832 89.664 0.394 2.84 4 51.4 13.3
285 3 4 -3 44.96 89.919 0.395 2.83 4 42.8 9.2
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 0 0 1 5.57 11.139 9.21617 234.5 19.7 20.1 5.6
2 1 0 0 6.335 12.671 8.10569 138.0 11.6 11.8 5.6
3 1 0 -1 6.451 12.901 7.96151 338.1 28.4 28.9 5.6
4 1 0 1 10.07 20.139 5.11574 136.7 11.5 11.6 5.6
5 1 0 -2 10.29 20.579 5.00756 158.1 13.3 13.5 5.6
6 0 1 1 10.55 21.101 4.88511 57.6 4.8 4.9 5.6
7 1 1 0 10.981 21.962 4.69579 131.0 11.0 11.1 5.6
8 1 1 -1 11.049 22.098 4.66725 32.4 2.7 2.8 5.6
9 0 0 2 11.193 22.385 4.60808 101.2 8.5 8.6 5.6
10 2 0 0 12.75 25.5 4.05284 28.7 2.4 2.4 5.6
11 2 0 -2 12.985 25.97 3.98075 54.5 4.6 4.6 5.6
12 1 1 1 13.523 27.045 3.82525 41.1 3.5 3.5 5.6
13 1 1 -2 13.69 27.38 3.77938 67.2 5.7 5.7 5.6
14 0 1 2 14.392 28.785 3.59853 112.7 9.5 9.5 5.6
15 2 1 -1 14.687 29.375 3.52782 611.8 51.4 51.7 5.6
16 2 1 0 15.655 31.31 3.31477 124.9 10.5 10.5 5.6
17 2 1 -2 15.85 31.7 3.27497 36.8 3.1 3.1 5.6
18 2 0 1 16.011 32.022 3.24292 145.8 12.3 12.3 5.6
19 2 0 -3 16.392 32.783 3.1696 22.6 1.9 1.9 5.6
20 1 1 2 17.648 35.296 2.9504 36.6 3.1 3.1 5.7
21 3 0 -2 17.798 35.595 2.92637 226.6 19.1 19.1 5.7
22 1 1 -3 17.867 35.735 2.91532 1189.2 100.0 100.0 5.7
23 0 2 0 18.091 36.181 2.8805 472.5 39.7 39.7 5.7
24 2 1 1 18.452 36.905 2.82596 134.2 11.3 11.3 5.7
25 0 2 1 18.986 37.972 2.74934 42.6 3.6 3.6 5.7
26 0 1 3 19.267 38.534 2.71073 816.1 68.6 68.4 5.7
27 3 0 0 19.332 38.665 2.7019 145.4 12.2 12.2 5.7
28 3 0 -3 19.697 39.394 2.65384 51.3 4.3 4.3 5.7
29 3 1 -1 19.93 39.86 2.62401 585.0 49.2 49.0 5.7
30 3 1 -2 20.049 40.099 2.60906 33.6 2.8 2.8 5.7
31 2 0 2 20.468 40.937 2.55787 265.9 22.4 22.2 5.7
32 1 0 3 20.607 41.214 2.54139 13.4 1.1 1.1 5.7
33 1 0 -4 20.877 41.753 2.51002 58.5 4.9 4.9 5.7
34 2 0 -4 20.931 41.862 2.50378 31.1 2.6 2.6 5.7
35 1 2 -2 20.992 41.983 2.49687 71.6 6.0 6.0 5.7
36 3 1 0 21.448 42.895 2.44622 18.7 1.6 1.6 5.7
37 0 2 2 21.481 42.963 2.44255 76.5 6.4 6.4 5.7
38 2 2 -1 21.691 43.382 2.42008 13.3 1.1 1.1 5.7
39 3 1 -3 21.783 43.565 2.41038 183.0 15.4 15.3 5.7
40 2 2 -2 22.538 45.075 2.33363 137.3 11.5 11.4 5.7
41 1 1 3 22.624 45.248 2.32519 12.4 1.0 1.0 5.7
42 1 1 -4 22.874 45.749 2.3011 55.4 4.7 4.6 5.7
43 2 1 -4 22.925 45.85 2.29629 57.3 4.8 4.8 5.7
44 3 0 -4 22.995 45.991 2.28964 81.0 6.8 6.7 5.7
45 4 0 -2 23.634 47.268 2.23117 21.0 1.8 1.7 5.7
46 1 2 2 23.907 47.814 2.20718 76.6 6.4 6.4 5.7
47 1 2 -3 24.078 48.157 2.19238 76.9 6.5 6.4 5.7
48 4 0 -1 24.224 48.449 2.17996 217.3 18.3 18.0 5.7
49 3 1 1 24.353 48.706 2.16912 24.4 2.1 2.0 5.7
50 4 0 -3 24.496 48.992 2.15727 62.0 5.2 5.1 5.7
51 2 2 1 24.54 49.08 2.1536 224.2 18.9 18.6 5.7
52 0 1 4 24.715 49.431 2.1393 65.1 5.5 5.4 5.7
53 2 2 -3 24.809 49.618 2.13172 221.6 18.6 18.4 5.7
54 0 2 3 25.193 50.387 2.10128 141.9 11.9 11.7 5.8
55 2 0 3 25.646 51.293 2.06661 100.9 8.5 8.3 5.8
56 3 2 -2 25.831 51.662 2.05285 27.0 2.3 2.2 5.8
57 4 1 -1 26.021 52.042 2.03887 15.5 1.3 1.3 5.8
58 2 0 -5 26.165 52.331 2.02842 32.7 2.7 2.7 5.8
59 4 1 -3 26.279 52.558 2.02027 13.0 1.1 1.1 5.8
60 4 0 -4 26.705 53.409 1.99038 18.7 1.6 1.5 5.8
61 3 2 -3 27.276 54.553 1.95176 16.9 1.4 1.4 5.8
62 2 1 3 27.375 54.751 1.94524 30.2 2.5 2.5 5.8
63 2 2 2 27.883 55.765 1.91262 168.8 14.2 13.9 5.8
64 1 2 3 27.993 55.985 1.9057 27.4 2.3 2.3 5.8
65 1 1 4 28.171 56.343 1.89459 70.3 5.9 5.8 5.8
66 2 2 -4 28.251 56.502 1.88969 154.4 13.0 12.7 5.8
67 3 1 2 28.332 56.664 1.88475 68.7 5.8 5.6 5.8
68 1 3 0 28.599 57.198 1.86861 33.7 2.8 2.8 5.8
69 0 0 5 29.03 58.06 1.84323 27.3 2.3 2.2 5.8
70 3 2 1 29.492 58.984 1.8169 14.3 1.2 1.2 5.8
71 0 2 4 29.81 59.62 1.79926 40.8 3.4 3.3 5.8
72 3 2 -4 29.936 59.872 1.79238 22.0 1.8 1.8 5.8
73 5 0 -2 30.156 60.312 1.78053 64.6 5.4 5.3 5.8
74 2 3 -1 30.47 60.939 1.76393 140.3 11.8 11.4 5.8
75 4 2 -1 30.969 61.937 1.73828 33.1 2.8 2.7 5.8
76 2 3 0 31.026 62.052 1.73538 24.1 2.0 2.0 5.8
77 5 0 -1 31.24 62.48 1.72467 17.1 1.4 1.4 5.8
78 2 0 4 31.385 62.769 1.71754 17.6 1.5 1.4 5.9
79 4 1 -5 31.624 63.248 1.70587 76.3 6.4 6.2 5.9
80 5 1 -2 31.722 63.444 1.70114 21.5 1.8 1.7 5.9
81 2 0 -6 31.955 63.911 1.69003 53.7 4.5 4.4 5.9
82 2 2 3 32.187 64.374 1.67916 24.0 2.0 1.9 5.9
83 1 3 -3 32.392 64.784 1.66968 147.1 12.4 11.9 5.9
84 4 2 0 32.662 65.324 1.65738 52.8 4.4 4.3 5.9
85 5 1 -1 32.777 65.554 1.65222 96.0 8.1 7.8 5.9
86 1 2 4 32.911 65.821 1.64625 88.1 7.4 7.1 5.9
87 1 0 -6 33.05 66.1 1.6401 202.3 17.0 16.4 5.9
88 4 2 -4 33.109 66.219 1.63749 195.7 16.5 15.8 5.9
89 1 2 -5 33.162 66.323 1.6352 24.7 2.1 2.0 5.9
90 5 1 -4 33.196 66.391 1.63372 41.3 3.5 3.3 5.9
91 0 3 3 33.319 66.638 1.62837 67.6 5.7 5.5 5.9
92 2 1 -6 33.474 66.948 1.62169 39.2 3.3 3.2 5.9
93 3 3 -1 33.774 67.548 1.60898 128.0 10.8 10.3 5.9
94 3 3 -2 33.857 67.713 1.60552 15.9 1.3 1.3 5.9
95 3 1 -6 33.911 67.822 1.60325 23.4 2.0 1.9 5.9
96 1 1 5 34.243 68.486 1.58957 93.7 7.9 7.6 5.9
97 4 0 -6 34.361 68.721 1.5848 90.1 7.6 7.3 5.9
98 4 1 2 34.965 69.929 1.56082 107.8 9.1 8.7 5.9
99 3 3 -3 35.095 70.191 1.55575 24.8 2.1 2.0 5.9
100 5 1 -5 35.648 71.296 1.53476 18.3 1.5 1.5 5.9
101 5 2 -1 37.192 74.383 1.47971 37.9 3.2 3.0 6.0
102 0 3 4 37.326 74.653 1.47515 25.3 2.1 2.0 6.0
103 5 2 -4 37.588 75.176 1.46638 55.5 4.7 4.4 6.0
104 6 0 -4 37.684 75.369 1.46319 46.7 3.9 3.7 6.0
105 2 2 -6 37.852 75.704 1.45766 73.4 6.2 5.8 6.0
106 5 1 1 38.223 76.446 1.44565 16.5 1.4 1.3 6.0
107 3 2 -6 38.268 76.535 1.44422 24.2 2.0 1.9 6.0
108 6 1 -3 38.394 76.787 1.44021 197.4 16.6 15.7 6.0
109 4 0 3 38.487 76.973 1.43727 13.7 1.2 1.1 6.0
110 6 1 -2 38.79 77.58 1.42778 15.7 1.3 1.2 6.0
111 1 2 -6 38.872 77.743 1.42526 17.0 1.4 1.3 6.0
112 2 1 5 39.117 78.234 1.41774 96.6 8.1 7.6 6.0
113 4 2 2 39.274 78.548 1.41298 88.3 7.4 7.0 6.0
114 3 1 -7 39.628 79.256 1.40242 23.8 2.0 1.9 6.0
115 2 1 -7 39.741 79.481 1.39909 12.6 1.1 1.0 6.0
116 1 3 4 40.149 80.298 1.38724 30.9 2.6 2.4 6.0
117 3 3 2 40.285 80.569 1.38336 39.1 3.3 3.1 6.1
118 4 1 -7 40.93 81.86 1.3653 55.9 4.7 4.4 6.1
119 5 0 2 41.083 82.166 1.36112 18.2 1.5 1.4 6.1
120 0 2 6 41.295 82.591 1.35537 35.4 3.0 2.8 6.1
121 5 1 2 42.473 84.946 1.32465 19.8 1.7 1.5 6.1
122 2 4 1 42.808 85.615 1.31627 27.0 2.3 2.1 6.1
123 6 2 -2 42.981 85.961 1.31201 50.4 4.2 3.9 6.1
124 4 3 -5 43.153 86.306 1.30779 27.7 2.3 2.2 6.1
125 5 3 -2 43.241 86.482 1.30566 13.0 1.1 1.0 6.1
126 6 2 -4 43.287 86.574 1.30453 45.5 3.8 3.5 6.1
127 5 2 -6 43.321 86.643 1.30371 33.6 2.8 2.6 6.1
128 3 4 -2 43.803 87.607 1.29222 31.4 2.6 2.4 6.2
129 3 0 5 43.836 87.672 1.29146 22.9 1.9 1.8 6.2
130 4 2 3 44.067 88.134 1.28606 39.0 3.3 3.0 6.2
131 5 3 -1 44.194 88.387 1.28314 50.5 4.2 3.9 6.2
132 2 3 4 44.322 88.644 1.2802 16.6 1.4 1.3 6.2
133 4 0 4 44.377 88.754 1.27893 23.6 2.0 1.8 6.2
134 6 2 -1 44.448 88.897 1.27732 23.2 2.0 1.8 6.2
135 5 3 -4 44.576 89.152 1.27442 21.4 1.8 1.6 6.2
136 3 4 0 44.73 89.46 1.27096 29.5 2.5 2.3 6.2
137 2 3 -6 44.832 89.664 1.26868 23.5 2.0 1.8 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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