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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HINGGANITE_Y
3, t-datolite, s-gadolinite
(Y,Ca)(2)(Be,B)(2)Fe(0.3)[SiO(4)](2)(O,OH)(2)
Monoclinic P 2(1)/c Z = 2
R =0.042 NR =689
19 .6 .1903
Ref.Str.:
F. Demartin, A. Minaglia, C.M. Gramaccioli (2001)
* Canad. Mineral., 39, 1105-1114
Reserv:
The sample from Cuasso al Monte, Italy. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.744 alpha = 90.0
b = 7.571 beta = 90.26
c = 9.811 gamma = 90.0
Unit cell volume (cub. angs.) = 352.38
Molar volume ( cub.cm/mol.) = 106.12
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0014 0.1086 0.3316 1.71 Y = 0.75, Ca = 0.25
2 0.0 0.0 0.0 2.0 Fe = 0.3 , Fe = 0.0
3 0.5197 0.2743 0.0802 1.65 Si = 1.00
4 0.761 0.4103 0.0326 1.9 O = 1.00
5 0.325 0.2866 0.451 1.9 O = 1.00
6 0.308 0.3434 0.1974 2.1 O = 1.00
7 0.685 0.106 0.1458 2.0 O = 1.00
8 0.78 0.4094 0.3313 2.2 O = 0.25, OH = 0.75
9 0.452 0.413 0.335 1.8 Be = 0.75, B = 0.25
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0014 0.1086 0.3316
2 2 0.0 0.0 0.0
3 3 0.5197 0.2743 0.0802
4 4 0.761 0.4103 0.0326
5 5 0.325 0.2866 0.451
6 6 0.308 0.3434 0.1974
7 7 0.685 0.106 0.1458
8 8 0.78 0.4094 0.3313
9 9 0.452 0.413 0.335
10 1 0.9986 0.6086 0.1684
11 2 0.0 0.5 0.5
12 3 0.4803 0.7743 0.4198
13 4 0.239 0.9103 0.4674
14 5 0.675 0.7866 0.049
15 6 0.692 0.8434 0.3026
16 7 0.315 0.606 0.3542
17 8 0.22 0.9094 0.1687
18 9 0.548 0.913 0.165
19 1 0.0014 0.3914 0.8316
20 3 0.5197 0.2257 0.5802
21 4 0.761 0.0897 0.5326
22 5 0.325 0.2134 0.951
23 6 0.308 0.1566 0.6974
24 7 0.685 0.394 0.6458
25 8 0.78 0.0906 0.8313
26 9 0.452 0.087 0.835
27 1 0.9986 0.8914 0.6684
28 3 0.4803 0.7257 0.9198
29 4 0.239 0.5897 0.9674
30 5 0.675 0.7134 0.549
31 6 0.692 0.6566 0.8026
32 7 0.315 0.894 0.8542
33 8 0.22 0.5906 0.6687
34 9 0.548 0.587 0.665
X-ray density (g/cm cub.) = 3.83
MU (1/cm) = 297.457 Mass attenuation coefficient (cm**2/g) = 77.619
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y ,Ca 2.928 8
2.3513 5
2.6508 6
2.3562 7
2.5079 8
2.2991 4
2.5026 6
2.433 8
2.287 4
2 Fe ,Fe 2.64 6
2.2232 7
2.2859 5
2.0697 8
2.2859 5
2.0697 8
2.2232 7
3 Si 2.148 4
1.6104 4
1.6171 6
1.6273 7
1.6315 5
4 O 3.312 11
3.093 6
2.7424 6
2.5836 7
2.9315 8
2.8826 5
3.1688 5
2.6695 5
3.1255 8
2.722 4
2.8934 4
2.9444 6
5 O 3.312 10
2.5259 6
2.6317 8
2.9834 8
2.8826 4
2.5983 7
2.6695 4
3.1688 4
2.6117 6
2.6834 7
3.1807 8
6 O 3.312 9
2.7424 4
3.093 4
2.5259 5
2.5872 7
2.6387 8
2.8774 8
2.5139 7
2.6117 5
2.9444 4
7 O 3.312 9
2.5836 4
2.5872 6
2.9638 8
2.5983 5
2.5139 6
2.95 8
2.6715 8
2.6834 5
3.1225 8
8 O ,OH 3.36 12
2.9315 4
2.9834 5
2.6317 5
2.8774 6
2.6387 6
2.9638 7
3.324 6
2.95 7
2.6715 7
3.1255 4
3.1225 7
3.1807 5
9 Be ,B 2.088 4
1.6063 5
1.5995 6
1.5569 8
1.6106 7
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 1 1 7.384 14.767 0.083 118.14 4 31.4 375.0
2 0 0 2 9.034 18.069 0.102 78.18 2 24.7 76.9
3 1 0 0 9.345 18.689 0.105 72.93 2 45.8 246.8
4 0 1 2 10.784 21.568 0.121 54.23 4 21.2 78.7
5 1 1 0 11.047 22.094 0.124 51.58 4 2.7 1.2
6 0 2 0 11.741 23.481 0.132 45.42 2 7.1 3.7
7 1 1 -1 11.935 23.869 0.134 43.89 4 42.2 251.3
8 1 1 1 11.967 23.935 0.135 43.64 4 27.3 105.0
9 0 2 1 12.598 25.195 0.142 39.18 4 49.5 308.8
10 1 0 -2 13.024 26.049 0.146 36.52 2 81.6 391.9
11 1 0 2 13.085 26.169 0.147 36.17 2 45.6 121.2
12 1 1 -2 14.316 28.632 0.161 29.88 4 90.3 785.2
13 1 1 2 14.371 28.742 0.161 29.64 4 96.2 884.4
14 0 1 3 14.867 29.734 0.167 27.57 4 45.8 186.5
15 0 2 2 14.894 29.787 0.167 27.46 4 30.0 79.4
16 1 2 0 15.089 30.179 0.169 26.7 4 80.0 551.1
17 1 2 -1 15.765 31.53 0.176 24.3 4 96.3 726.6
18 1 2 1 15.79 31.581 0.177 24.22 4 100.8 792.6
19 1 1 -3 17.642 35.283 0.197 19.04 4 98.7 597.2
20 1 2 -2 17.676 35.352 0.197 18.96 4 32.8 65.5
21 1 1 3 17.71 35.421 0.197 18.88 4 84.6 435.4
22 1 2 2 17.722 35.444 0.198 18.85 4 18.7 21.2
23 0 2 3 18.135 36.27 0.202 17.92 4 13.8 11.0
24 0 0 4 18.304 36.607 0.204 17.56 2 56.1 88.9
25 0 3 1 18.37 36.741 0.205 17.42 4 36.1 73.3
26 2 0 0 18.95 37.9 0.211 16.27 2 69.0 124.8
27 0 1 4 19.276 38.552 0.214 15.67 4 65.8 218.2
28 2 1 0 19.896 39.791 0.221 14.6 4 15.1 10.8
29 0 3 2 20.075 40.15 0.223 14.32 4 85.3 335.2
30 1 3 0 20.226 40.452 0.224 14.08 4 56.2 143.1
31 2 1 -1 20.421 40.842 0.226 13.78 4 0.2 0.0
32 2 1 1 20.461 40.923 0.227 13.72 4 50.3 112.0
33 1 2 -3 20.522 41.045 0.228 13.63 4 59.0 152.7
34 1 2 3 20.583 41.166 0.228 13.54 4 66.6 193.7
35 1 0 -4 20.664 41.328 0.229 13.42 2 68.3 100.8
36 1 0 4 20.744 41.488 0.23 13.31 2 41.9 37.7
37 1 3 -1 20.754 41.509 0.23 13.29 4 43.4 80.7
38 1 3 1 20.774 41.549 0.23 13.26 4 1.0 0.0
39 2 0 -2 21.105 42.209 0.234 12.8 2 2.3 0.1
40 2 0 2 21.183 42.367 0.235 12.7 2 53.8 59.2
41 1 1 -4 21.547 43.094 0.238 12.22 4 18.4 13.3
42 1 1 4 21.624 43.249 0.239 12.12 4 50.6 99.8
43 2 1 -2 21.973 43.946 0.243 11.69 4 27.7 28.9
44 0 2 4 21.975 43.951 0.243 11.69 4 4.2 0.7
45 2 1 2 22.049 44.099 0.244 11.6 4 28.4 30.0
46 1 3 -2 22.297 44.594 0.246 11.32 4 34.1 42.3
47 1 3 2 22.335 44.67 0.247 11.27 4 64.1 149.2
48 2 2 0 22.534 45.067 0.249 11.05 4 3.4 0.4
49 0 3 3 22.677 45.354 0.25 10.89 4 39.8 55.7
50 2 2 -1 23.01 46.02 0.254 10.54 4 84.6 242.7
51 2 2 1 23.047 46.093 0.254 10.5 4 83.6 236.3
52 0 1 5 23.925 47.849 0.263 9.65 4 30.9 29.7
53 0 4 0 24.014 48.028 0.264 9.57 2 83.2 106.5
54 1 2 -4 24.038 48.077 0.264 9.54 4 6.1 1.2
55 1 2 4 24.11 48.219 0.265 9.48 4 19.8 11.9
56 2 1 -3 24.395 48.79 0.268 9.23 4 95.8 272.9
57 2 2 -2 24.431 48.861 0.268 9.2 4 21.0 13.0
58 0 4 1 24.486 48.972 0.269 9.15 4 40.8 49.0
59 2 1 3 24.501 49.002 0.269 9.14 4 90.6 241.9
60 2 2 2 24.501 49.002 0.269 9.14 4 11.2 3.7
61 1 3 -3 24.703 49.407 0.271 8.97 4 26.6 20.4
62 1 3 3 24.756 49.511 0.272 8.93 4 24.4 17.1
63 1 1 -5 25.86 51.719 0.283 8.08 4 17.6 8.1
64 0 4 2 25.862 51.724 0.283 8.08 4 77.1 154.9
65 1 1 5 25.944 51.888 0.284 8.02 4 38.0 37.3
66 0 3 4 25.972 51.945 0.284 8.0 4 69.5 124.6
67 1 4 0 25.986 51.973 0.284 7.99 4 84.6 184.4
68 0 2 5 26.242 52.484 0.287 7.82 4 86.2 187.1
69 1 4 -1 26.424 52.848 0.289 7.7 4 20.5 10.5
70 1 4 1 26.44 52.881 0.289 7.68 4 8.8 1.9
71 2 3 0 26.466 52.932 0.289 7.67 4 0.9 0.0
72 2 2 -3 26.683 53.366 0.291 7.53 4 1.0 0.0
73 2 2 3 26.782 53.564 0.292 7.46 4 19.6 9.3
74 2 0 -4 26.791 53.581 0.293 7.46 2 30.6 11.3
75 2 3 -1 26.89 53.779 0.294 7.4 4 25.9 16.0
76 2 0 4 26.922 53.845 0.294 7.37 2 57.9 39.9
77 2 3 1 26.922 53.845 0.294 7.37 4 54.3 70.2
78 2 1 -4 27.521 55.042 0.3 7.02 4 91.1 187.5
79 2 1 4 27.65 55.3 0.301 6.94 4 65.1 94.7
80 1 4 -2 27.723 55.446 0.302 6.9 4 19.6 8.6
81 1 4 2 27.755 55.51 0.302 6.88 4 27.4 16.6
82 1 3 -4 27.812 55.624 0.303 6.85 4 79.7 140.1
83 1 3 4 27.876 55.753 0.304 6.81 4 82.2 148.3
84 0 4 3 28.048 56.096 0.305 6.72 4 15.5 5.2
85 1 2 -5 28.062 56.123 0.305 6.71 4 43.1 40.1
86 0 0 6 28.104 56.208 0.306 6.69 2 90.2 87.6
87 1 2 5 28.141 56.283 0.306 6.67 4 63.8 87.5
88 2 3 -2 28.166 56.332 0.306 6.66 4 95.6 195.9
89 2 3 2 28.23 56.46 0.307 6.62 4 86.7 160.5
90 0 1 6 28.812 57.624 0.313 6.32 4 1.7 0.1
91 3 0 0 29.151 58.302 0.316 6.16 2 78.9 61.7
92 2 2 -4 29.639 59.278 0.321 5.93 4 8.4 1.3
93 2 2 4 29.762 59.525 0.322 5.88 4 35.6 24.0
94 1 4 -3 29.809 59.617 0.323 5.86 4 28.2 15.0
95 0 3 5 29.819 59.638 0.323 5.85 4 27.9 14.6
96 1 0 -6 29.84 59.68 0.323 5.84 2 97.7 89.8
97 3 1 0 29.843 59.686 0.323 5.84 4 1.7 0.1
98 1 4 3 29.855 59.71 0.323 5.84 4 11.2 2.4
99 1 0 6 29.932 59.864 0.324 5.8 2 104.2 101.5
100 2 3 -3 30.225 60.449 0.327 5.68 4 19.9 7.3
101 3 1 -1 30.228 60.455 0.327 5.68 4 17.9 5.8
102 3 1 1 30.273 60.547 0.327 5.66 4 7.6 1.1
103 2 3 3 30.316 60.632 0.328 5.64 4 21.3 8.3
104 1 1 -6 30.522 61.044 0.33 5.56 4 6.0 0.6
105 1 1 6 30.613 61.226 0.331 5.52 4 9.8 1.7
106 3 0 -2 30.738 61.477 0.332 5.47 2 58.1 29.8
107 3 0 2 30.829 61.658 0.333 5.43 2 26.4 6.1
108 0 2 6 30.874 61.747 0.333 5.42 4 59.5 61.8
109 0 4 4 30.934 61.868 0.334 5.39 4 37.1 23.9
110 0 5 1 30.979 61.958 0.334 5.38 4 29.9 15.5
111 2 1 -5 31.226 62.452 0.337 5.28 4 22.6 8.7
112 2 1 5 31.376 62.751 0.338 5.23 4 1.9 0.1
113 2 4 0 31.376 62.752 0.338 5.23 4 15.6 4.1
114 3 1 -2 31.409 62.818 0.338 5.21 4 47.2 37.4
115 3 1 2 31.499 62.997 0.339 5.18 4 52.0 45.1
116 1 3 -5 31.503 63.006 0.339 5.18 4 30.7 15.7
117 1 3 5 31.577 63.155 0.34 5.15 4 29.0 14.0
118 2 4 -1 31.757 63.514 0.342 5.09 4 17.6 5.1
119 2 4 1 31.787 63.573 0.342 5.08 4 35.9 21.1
120 3 2 0 31.864 63.728 0.343 5.05 4 27.9 12.7
121 0 5 2 32.167 64.334 0.346 4.95 4 17.2 4.7
122 3 2 -1 32.235 64.469 0.346 4.93 4 67.0 71.3
123 1 5 0 32.275 64.551 0.347 4.91 4 12.7 2.6
124 3 2 1 32.279 64.557 0.347 4.91 4 68.6 74.5
125 1 2 -6 32.519 65.038 0.349 4.83 4 3.7 0.2
126 1 4 -4 32.592 65.184 0.35 4.81 4 44.0 30.0
127 1 2 6 32.606 65.213 0.35 4.81 4 9.6 1.4
128 1 4 4 32.65 65.301 0.35 4.79 4 35.1 19.0
129 1 5 -1 32.658 65.316 0.35 4.79 4 49.0 37.0
130 1 5 1 32.673 65.345 0.35 4.79 4 61.0 57.4
131 2 4 -2 32.915 65.829 0.353 4.71 4 45.9 31.9
132 2 4 2 32.973 65.945 0.353 4.69 4 43.0 28.0
133 2 3 -4 32.98 65.961 0.353 4.69 4 20.1 6.1
134 2 3 4 33.097 66.193 0.354 4.66 4 20.0 6.0
135 2 2 -5 33.199 66.398 0.355 4.63 4 49.5 36.5
136 3 1 -3 33.34 66.68 0.357 4.58 4 62.4 57.4
137 2 2 5 33.344 66.687 0.357 4.58 4 41.6 25.6
138 3 2 -2 33.376 66.752 0.357 4.57 4 12.3 2.2
139 3 2 2 33.463 66.925 0.358 4.55 4 1.7 0.0
140 3 1 3 33.47 66.94 0.358 4.55 4 69.6 70.9
141 1 5 -2 33.807 67.613 0.361 4.45 4 2.0 0.1
142 1 5 2 33.835 67.67 0.361 4.44 4 12.4 2.2
143 0 1 7 33.982 67.963 0.363 4.4 4 3.7 0.2
144 0 5 3 34.096 68.193 0.364 4.37 4 18.2 4.7
145 0 3 6 34.147 68.293 0.364 4.36 4 5.8 0.5
146 0 4 5 34.433 68.866 0.367 4.29 4 7.3 0.7
147 2 4 -3 34.809 69.618 0.371 4.19 4 3.4 0.2
148 2 0 -6 34.816 69.633 0.371 4.19 2 28.1 5.3
149 2 4 3 34.894 69.788 0.371 4.17 4 26.3 9.3
150 2 0 6 34.986 69.972 0.372 4.15 2 35.8 8.6
151 3 3 0 35.088 70.177 0.373 4.12 4 34.9 16.2
152 3 2 -3 35.251 70.503 0.375 4.09 4 33.4 14.7
153 3 0 -4 35.336 70.673 0.375 4.07 2 1.9 0.0
154 3 2 3 35.378 70.756 0.376 4.06 4 13.1 2.2
155 3 3 -1 35.442 70.884 0.376 4.04 4 0.5 0.0
156 2 1 -6 35.446 70.893 0.376 4.04 4 4.2 0.2
157 3 3 1 35.484 70.968 0.377 4.03 4 12.8 2.1
158 3 0 4 35.505 71.01 0.377 4.03 2 28.7 5.4
159 1 1 -7 35.545 71.089 0.377 4.02 4 15.5 3.1
160 2 1 6 35.615 71.229 0.378 4.0 4 7.0 0.6
161 1 1 7 35.643 71.285 0.378 4.0 4 32.8 13.8
162 1 5 -3 35.685 71.37 0.379 3.99 4 67.4 58.3
163 1 3 -6 35.714 71.427 0.379 3.98 4 14.1 2.5
164 1 5 3 35.727 71.454 0.379 3.98 4 57.4 42.2
165 1 3 6 35.797 71.595 0.38 3.96 4 18.7 4.5
166 0 2 7 35.877 71.754 0.38 3.95 4 29.6 11.1
167 3 1 -4 35.963 71.925 0.381 3.93 4 8.6 0.9
168 1 4 -5 36.001 72.002 0.382 3.92 4 41.8 22.0
169 1 4 5 36.071 72.142 0.382 3.9 4 24.8 7.7
170 3 1 4 36.13 72.259 0.383 3.89 4 7.4 0.7
171 2 3 -5 36.365 72.731 0.385 3.84 4 6.7 0.6
172 2 3 5 36.504 73.008 0.386 3.82 4 5.2 0.3
173 3 3 -2 36.535 73.071 0.386 3.81 4 18.0 4.0
174 3 3 2 36.618 73.237 0.387 3.79 4 4.2 0.2
175 0 5 4 36.715 73.43 0.388 3.77 4 13.0 2.1
176 2 5 0 37.122 74.245 0.392 3.7 4 3.0 0.1
177 2 2 -6 37.31 74.62 0.393 3.66 4 28.6 9.6
178 2 4 -4 37.392 74.785 0.394 3.65 4 31.6 11.7
179 1 2 -7 37.406 74.812 0.394 3.65 4 62.1 45.2
180 2 2 6 37.475 74.949 0.395 3.63 4 41.6 20.3
181 2 5 -1 37.475 74.95 0.395 3.63 4 3.7 0.2
182 1 2 7 37.502 75.004 0.395 3.63 4 48.2 27.2
183 2 4 4 37.502 75.005 0.395 3.63 4 11.0 1.4
184 2 5 1 37.503 75.005 0.395 3.63 4 23.3 6.3
185 0 6 0 37.622 75.243 0.396 3.61 2 64.7 24.4
186 3 2 -4 37.816 75.632 0.398 3.57 4 1.6 0.0
187 3 2 4 37.98 75.96 0.399 3.55 4 24.2 6.7
188 0 6 1 37.986 75.973 0.4 3.55 4 53.0 32.1
189 1 5 -4 38.252 76.504 0.402 3.5 4 29.0 9.5
190 1 5 4 38.306 76.613 0.402 3.49 4 33.7 12.8
191 3 3 -3 38.344 76.688 0.403 3.49 4 31.7 11.3
192 3 3 3 38.467 76.934 0.404 3.47 4 27.4 8.4
193 0 4 6 38.5 77.001 0.404 3.46 4 86.1 82.8
194 2 5 -2 38.553 77.107 0.405 3.46 4 36.1 14.5
195 2 5 2 38.608 77.215 0.405 3.45 4 28.9 9.2
196 0 0 8 38.91 77.82 0.408 3.4 2 59.5 19.4
197 0 3 7 38.951 77.902 0.408 3.4 4 0.7 0.0
198 0 6 2 39.074 78.147 0.409 3.38 4 8.1 0.7
199 1 6 0 39.173 78.347 0.41 3.36 4 12.2 1.6
200 3 1 -5 39.232 78.463 0.411 3.36 4 29.8 9.6
201 3 4 0 39.401 78.802 0.412 3.33 4 65.8 46.5
202 3 1 5 39.434 78.869 0.412 3.33 4 27.9 8.3
203 0 1 8 39.516 79.031 0.413 3.32 4 51.8 28.7
204 1 6 -1 39.527 79.054 0.413 3.32 4 43.0 19.7
205 1 6 1 39.54 79.081 0.413 3.31 4 17.7 3.3
206 3 4 -1 39.74 79.481 0.415 3.29 4 34.8 12.8
207 3 4 1 39.781 79.561 0.415 3.28 4 23.4 5.8
208 0 5 5 39.983 79.966 0.417 3.26 4 45.1 21.3
209 1 4 -6 40.002 80.003 0.417 3.25 4 33.7 11.9
210 1 4 6 40.082 80.165 0.418 3.24 4 14.4 2.2
211 2 1 -7 40.178 80.356 0.419 3.23 4 7.0 0.5
212 2 5 -3 40.34 80.679 0.42 3.21 4 70.8 51.9
213 2 3 -6 40.347 80.694 0.42 3.21 4 15.3 2.4
214 2 1 7 40.366 80.732 0.42 3.21 4 26.6 7.3
215 1 0 -8 40.394 80.787 0.421 3.21 2 24.9 3.2
216 2 5 3 40.42 80.841 0.421 3.2 4 66.2 45.3
217 1 3 -7 40.441 80.882 0.421 3.2 4 34.9 12.5
218 1 0 8 40.501 81.002 0.422 3.19 2 7.3 0.3
219 4 0 0 40.503 81.005 0.422 3.19 2 93.2 44.7
220 2 3 6 40.508 81.016 0.422 3.19 4 11.5 1.4
221 1 3 7 40.535 81.07 0.422 3.19 4 19.6 3.9
222 1 6 -2 40.596 81.191 0.422 3.18 4 38.6 15.3
223 1 6 2 40.623 81.245 0.423 3.18 4 19.8 4.0
224 2 4 -5 40.63 81.26 0.423 3.18 4 1.0 0.0
225 2 4 5 40.764 81.528 0.424 3.16 4 17.5 3.1
226 3 4 -2 40.794 81.589 0.424 3.16 4 29.9 9.1
227 3 3 -4 40.842 81.683 0.425 3.16 4 59.0 35.4
228 0 6 3 40.867 81.735 0.425 3.15 4 24.7 6.2
229 3 4 2 40.875 81.75 0.425 3.15 4 32.3 10.6
230 1 1 -8 40.994 81.987 0.426 3.14 4 0.2 0.0
231 3 3 4 41.002 82.005 0.426 3.14 4 48.9 24.1
232 3 2 -5 41.037 82.074 0.426 3.13 4 57.2 33.0
233 1 1 8 41.101 82.201 0.427 3.13 4 18.1 3.3
234 4 1 0 41.102 82.204 0.427 3.13 4 22.1 4.9
235 3 2 5 41.238 82.476 0.428 3.11 4 54.6 29.8
236 0 2 8 41.318 82.636 0.429 3.1 4 17.5 3.1
237 4 1 -1 41.432 82.863 0.43 3.09 4 32.6 10.6
238 1 5 -5 41.477 82.955 0.43 3.09 4 9.9 1.0
239 4 1 1 41.485 82.97 0.43 3.09 4 12.7 1.6
240 1 5 5 41.544 83.088 0.43 3.08 4 36.7 13.4
241 4 0 -2 41.875 83.749 0.433 3.05 2 12.8 0.8
242 2 2 -7 41.974 83.949 0.434 3.04 4 62.1 37.8
243 4 0 2 41.981 83.963 0.434 3.04 2 12.3 0.7
244 2 2 7 42.161 84.322 0.436 3.02 4 66.6 43.3
245 1 6 -3 42.369 84.737 0.437 3.01 4 28.3 7.8
246 1 6 3 42.409 84.817 0.438 3.0 4 15.5 2.3
247 4 1 -2 42.471 84.941 0.438 3.0 4 21.1 4.3
248 3 0 -6 42.54 85.079 0.439 2.99 2 77.8 29.2
249 3 4 -3 42.553 85.105 0.439 2.99 4 2.7 0.1
250 4 1 2 42.577 85.154 0.439 2.99 4 6.3 0.4
251 3 4 3 42.672 85.344 0.44 2.98 4 17.8 3.0
252 3 0 6 42.779 85.558 0.441 2.97 2 73.3 25.7
253 1 2 -8 42.784 85.567 0.441 2.97 4 16.5 2.6
254 2 5 -4 42.817 85.634 0.441 2.97 4 6.2 0.4
255 1 2 8 42.89 85.78 0.442 2.96 4 17.2 2.8
256 4 2 0 42.892 85.783 0.442 2.96 4 6.1 0.4
257 2 5 4 42.924 85.847 0.442 2.96 4 5.4 0.3
258 3 1 -6 43.134 86.269 0.444 2.94 4 24.8 5.8
259 0 4 7 43.146 86.292 0.444 2.94 4 10.1 1.0
260 4 2 -1 43.219 86.438 0.445 2.94 4 43.3 17.7
261 4 2 1 43.272 86.544 0.445 2.93 4 26.6 6.7
262 0 6 4 43.353 86.706 0.446 2.93 4 29.7 8.3
263 3 1 6 43.373 86.747 0.446 2.93 4 4.5 0.2
264 2 6 0 43.745 87.49 0.449 2.9 4 28.3 7.5
265 0 5 6 43.894 87.787 0.45 2.89 4 3.5 0.1
266 3 3 -5 44.015 88.03 0.451 2.88 4 29.8 8.3
267 2 6 -1 44.085 88.17 0.452 2.88 4 31.9 9.4
268 2 6 1 44.112 88.223 0.452 2.88 4 54.2 27.3
269 4 1 -3 44.213 88.427 0.453 2.87 4 31.0 8.9
270 3 3 5 44.214 88.428 0.453 2.87 4 31.5 9.2
271 4 2 -2 44.253 88.506 0.453 2.87 4 13.9 1.8
272 0 3 8 44.294 88.587 0.453 2.87 4 17.1 2.7
273 4 2 2 44.359 88.718 0.454 2.86 4 0.8 0.0
274 4 1 3 44.372 88.745 0.454 2.86 4 37.8 13.2
275 2 4 -6 44.519 89.037 0.455 2.85 4 38.4 13.5
276 1 4 -7 44.612 89.223 0.456 2.85 4 23.6 5.1
277 2 4 6 44.678 89.356 0.456 2.85 4 59.3 32.2
278 1 4 7 44.704 89.409 0.457 2.84 4 17.4 2.8
279 3 5 0 44.774 89.548 0.457 2.84 4 1.8 0.0
280 1 6 -4 44.838 89.676 0.458 2.84 4 13.3 1.6
281 1 6 4 44.891 89.782 0.458 2.83 4 5.2 0.2
282 2 0 -8 44.892 89.784 0.458 2.83 2 19.8 1.8
283 3 2 -6 44.915 89.83 0.458 2.83 4 0.2 0.0
284 2 3 -7 44.945 89.891 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 1 1 7.384 14.767 5.99382 375.0 24.7 25.0 5.6
2 0 0 2 9.034 18.069 4.90545 76.9 5.1 5.1 5.6
3 1 0 0 9.345 18.689 4.74395 246.8 16.2 16.4 5.6
4 0 1 2 10.784 21.568 4.11684 78.7 5.2 5.2 5.6
5 1 1 -1 11.935 23.869 3.72485 251.3 16.5 16.6 5.6
6 1 1 1 11.967 23.935 3.71482 105.0 6.9 7.0 5.6
7 0 2 1 12.598 25.195 3.53172 308.8 20.3 20.4 5.6
8 1 0 -2 13.024 26.049 3.4179 391.9 25.8 25.9 5.6
9 1 0 2 13.085 26.169 3.40244 121.2 8.0 8.0 5.6
10 1 1 -2 14.316 28.632 3.11517 785.2 51.7 51.8 5.6
11 1 1 2 14.371 28.742 3.10345 884.4 58.2 58.4 5.6
12 0 1 3 14.867 29.734 3.00219 266.0 17.5 17.5 5.6
13 1 2 0 15.089 30.179 2.95892 551.1 36.3 36.3 5.6
14 1 2 1 15.79 31.581 2.83067 1519.2 100.0 100.0 5.6
15 1 1 -3 17.642 35.283 2.54166 597.2 39.3 39.2 5.7
16 1 2 -2 17.676 35.352 2.53685 65.5 4.3 4.3 5.7
17 1 1 3 17.71 35.421 2.53211 456.6 30.1 30.0 5.7
18 0 0 4 18.304 36.607 2.45272 88.9 5.9 5.8 5.7
19 0 3 1 18.37 36.741 2.4441 73.3 4.8 4.8 5.7
20 2 0 0 18.95 37.9 2.37198 124.8 8.2 8.2 5.7
21 0 1 4 19.276 38.552 2.33333 218.2 14.4 14.3 5.7
22 0 3 2 20.075 40.15 2.24411 335.2 22.1 21.9 5.7
23 1 3 0 20.226 40.452 2.22802 143.1 9.4 9.3 5.7
24 2 1 1 20.461 40.923 2.20346 112.0 7.4 7.3 5.7
25 1 2 -3 20.522 41.045 2.19721 152.7 10.1 10.0 5.7
26 1 2 3 20.583 41.166 2.19103 193.7 12.8 12.6 5.7
27 1 0 -4 20.664 41.328 2.18279 100.8 6.6 6.6 5.7
28 1 3 -1 20.754 41.509 2.1737 118.4 7.8 7.7 5.7
29 2 0 2 21.183 42.367 2.13165 59.2 3.9 3.9 5.7
30 1 1 4 21.624 43.249 2.0902 99.8 6.6 6.5 5.7
31 2 1 -2 21.973 43.946 2.05864 29.5 1.9 1.9 5.7
32 2 1 2 22.049 44.099 2.05187 30.0 2.0 2.0 5.7
33 1 3 -2 22.297 44.594 2.03021 42.3 2.8 2.7 5.7
34 1 3 2 22.335 44.67 2.02696 149.2 9.8 9.7 5.7
35 0 3 3 22.677 45.354 1.99794 55.7 3.7 3.6 5.7
36 2 2 -1 23.01 46.02 1.97058 242.7 16.0 15.8 5.7
37 2 2 1 23.047 46.093 1.9676 236.3 15.6 15.3 5.7
38 0 1 5 23.925 47.849 1.89942 29.7 2.0 1.9 5.7
39 0 4 0 24.014 48.028 1.89275 107.7 7.1 7.0 5.7
40 2 1 -3 24.395 48.79 1.86496 272.9 18.0 17.7 5.7
41 2 1 3 24.501 49.002 1.85741 294.6 19.4 19.1 5.7
42 1 3 -3 24.703 49.407 1.84313 20.4 1.3 1.3 5.7
43 1 3 3 24.756 49.511 1.83948 17.1 1.1 1.1 5.7
44 0 4 2 25.862 51.724 1.76586 163.0 10.7 10.5 5.8
45 1 4 0 25.986 51.973 1.75799 346.3 22.8 22.3 5.8
46 0 2 5 26.242 52.484 1.74206 187.1 12.3 12.1 5.8
47 2 0 -4 26.791 53.581 1.70895 20.5 1.3 1.3 5.8
48 2 3 -1 26.89 53.779 1.70313 16.0 1.1 1.0 5.8
49 2 3 1 26.922 53.845 1.70121 110.1 7.2 7.1 5.8
50 2 1 -4 27.521 55.042 1.66701 187.5 12.3 12.0 5.8
51 2 1 4 27.65 55.3 1.65983 94.7 6.2 6.1 5.8
52 1 4 2 27.755 55.51 1.65404 16.6 1.1 1.1 5.8
53 1 3 -4 27.812 55.624 1.65093 140.1 9.2 9.0 5.8
54 1 3 4 27.876 55.753 1.64743 148.3 9.8 9.5 5.8
55 1 2 -5 28.062 56.123 1.63742 45.3 3.0 2.9 5.8
56 0 0 6 28.104 56.208 1.63515 87.6 5.8 5.6 5.8
57 2 3 -2 28.166 56.332 1.63185 283.4 18.7 18.2 5.8
58 2 3 2 28.23 56.46 1.62847 160.5 10.6 10.3 5.8
59 3 0 0 29.151 58.302 1.58132 61.7 4.1 3.9 5.8
60 2 2 4 29.762 59.525 1.55172 24.0 1.6 1.5 5.8
61 1 4 -3 29.809 59.617 1.54953 29.6 2.0 1.9 5.8
62 1 0 -6 29.84 59.68 1.54806 92.2 6.1 5.9 5.8
63 1 0 6 29.932 59.864 1.54374 101.5 6.7 6.5 5.8
64 3 0 -2 30.738 61.477 1.50705 29.8 2.0 1.9 5.8
65 0 2 6 30.874 61.747 1.5011 61.8 4.1 3.9 5.8
66 0 4 4 30.934 61.868 1.49845 23.9 1.6 1.5 5.8
67 0 5 1 30.979 61.958 1.49648 15.5 1.0 1.0 5.8
68 3 1 -2 31.409 62.818 1.47805 37.4 2.5 2.4 5.9
69 3 1 2 31.499 62.997 1.47429 60.8 4.0 3.9 5.9
70 2 4 1 31.787 63.573 1.46231 21.1 1.4 1.3 5.9
71 3 2 -1 32.235 64.469 1.44413 71.3 4.7 4.5 5.9
72 3 2 1 32.279 64.557 1.44237 77.1 5.1 4.9 5.9
73 1 4 -4 32.592 65.184 1.43001 31.4 2.1 2.0 5.9
74 1 5 1 32.673 65.345 1.42687 113.5 7.5 7.2 5.9
75 2 4 -2 32.915 65.829 1.41755 31.9 2.1 2.0 5.9
76 2 4 2 32.973 65.945 1.41533 34.0 2.2 2.1 5.9
77 2 2 -5 33.199 66.398 1.40677 36.5 2.4 2.3 5.9
78 3 1 -3 33.34 66.68 1.40151 83.0 5.5 5.2 5.9
79 3 1 3 33.47 66.94 1.39671 70.9 4.7 4.5 5.9
80 3 3 0 35.088 70.177 1.33999 16.2 1.1 1.0 5.9
81 1 5 -3 35.685 71.37 1.32048 60.9 4.0 3.8 5.9
82 1 5 3 35.727 71.454 1.31914 42.2 2.8 2.6 5.9
83 1 4 -5 36.001 72.002 1.31044 22.0 1.5 1.4 5.9
84 1 2 -7 37.406 74.812 1.26803 57.0 3.8 3.5 6.0
85 1 2 7 37.502 75.004 1.26526 55.4 3.6 3.4 6.0
86 0 6 0 37.622 75.243 1.26183 24.4 1.6 1.5 6.0
87 0 6 1 37.986 75.973 1.25152 38.8 2.6 2.4 6.0
88 0 4 6 38.5 77.001 1.23736 82.8 5.4 5.1 6.0
89 0 0 8 38.91 77.82 1.22636 19.4 1.3 1.2 6.0
90 3 4 0 39.401 78.802 1.21353 46.5 3.1 2.9 6.0
91 0 1 8 39.516 79.031 1.21058 51.7 3.4 3.2 6.0
92 0 5 5 39.983 79.966 1.19876 33.3 2.2 2.0 6.0
93 2 5 -3 40.34 80.679 1.18995 61.6 4.1 3.8 6.1
94 2 5 3 40.42 80.841 1.18799 61.0 4.0 3.7 6.1
95 4 0 0 40.503 81.005 1.18599 46.1 3.0 2.8 6.1
96 1 6 -2 40.596 81.191 1.18374 19.3 1.3 1.2 6.1
97 3 3 -4 40.842 81.683 1.17785 41.6 2.7 2.5 6.1
98 3 3 4 41.002 82.005 1.17404 24.1 1.6 1.5 6.1
99 3 2 -5 41.037 82.074 1.17323 33.0 2.2 2.0 6.1
100 3 2 5 41.238 82.476 1.16853 29.8 2.0 1.8 6.1
101 2 2 -7 41.974 83.949 1.15174 38.5 2.5 2.3 6.1
102 2 2 7 42.161 84.322 1.14759 43.3 2.8 2.6 6.1
103 3 0 -6 42.54 85.079 1.1393 29.2 1.9 1.8 6.1
104 3 0 6 42.779 85.558 1.13415 28.3 1.9 1.7 6.1
105 4 2 -1 43.219 86.438 1.12484 17.7 1.2 1.1 6.1
106 2 6 1 44.112 88.223 1.10663 36.7 2.4 2.2 6.2
107 3 3 5 44.214 88.428 1.1046 18.1 1.2 1.1 6.2
108 2 4 6 44.678 89.356 1.09552 35.0 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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