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 ***
***********************
HINGGANITE_Y
5, 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 =0.033 NR =610
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 = 4.743 alpha = 90.0
b = 7.617 beta = 90.47
c = 9.905 gamma = 90.0
Unit cell volume (cub. angs.) = 357.83
Molar volume ( cub.cm/mol.) = 107.77
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0002 0.1085 0.3324 1.15 Y = 0.8 , Ca = 0.2
2 0.0 0.0 0.0 1.9 Fe = 0.3 , Fe = 0.0
3 0.5197 0.2756 0.0795 1.09 Si = 1.00
4 0.76 0.4112 0.0325 1.38 O = 1.00
5 0.3284 0.2879 0.4505 1.35 O = 1.00
6 0.3032 0.3452 0.1959 1.25 O = 1.00
7 0.687 0.1085 0.1467 1.42 O = 1.00
8 0.786 0.4127 0.3316 1.35 O = 0.25, OH = 0.75
9 0.448 0.4145 0.3357 1.0 Be = 0.8 , B = 0.2
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0002 0.1085 0.3324
2 2 0.0 0.0 0.0
3 3 0.5197 0.2756 0.0795
4 4 0.76 0.4112 0.0325
5 5 0.3284 0.2879 0.4505
6 6 0.3032 0.3452 0.1959
7 7 0.687 0.1085 0.1467
8 8 0.786 0.4127 0.3316
9 9 0.448 0.4145 0.3357
10 1 0.9998 0.6085 0.1676
11 2 0.0 0.5 0.5
12 3 0.4803 0.7756 0.4205
13 4 0.24 0.9112 0.4675
14 5 0.6716 0.7879 0.0495
15 6 0.6968 0.8452 0.3041
16 7 0.313 0.6085 0.3533
17 8 0.214 0.9127 0.1684
18 9 0.552 0.9145 0.1643
19 1 0.0002 0.3915 0.8324
20 3 0.5197 0.2244 0.5795
21 4 0.76 0.0888 0.5325
22 5 0.3284 0.2121 0.9505
23 6 0.3032 0.1548 0.6959
24 7 0.687 0.3915 0.6467
25 8 0.786 0.0873 0.8316
26 9 0.448 0.0855 0.8357
27 1 0.9998 0.8915 0.6676
28 3 0.4803 0.7244 0.9205
29 4 0.24 0.5888 0.9675
30 5 0.6716 0.7121 0.5495
31 6 0.6968 0.6548 0.8041
32 7 0.313 0.8915 0.8533
33 8 0.214 0.5873 0.6684
34 9 0.552 0.5855 0.6643
X-ray density (g/cm cub.) = 3.82
MU (1/cm) = 297.941 Mass attenuation coefficient (cm**2/g) = 78.046
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y ,Ca 2.928 8
2.3725 5
2.6788 6
2.3548 7
2.53 8
2.306 4
2.4829 6
2.4328 8
2.2991 4
2 Fe ,Fe 2.64 6
2.2436 7
2.2998 5
2.0559 8
2.2998 5
2.0559 8
2.2436 7
3 Si 2.148 4
1.6097 4
1.6383 6
1.6383 7
1.6343 5
4 O 3.312 11
3.0727 6
2.7611 6
2.5927 7
2.9642 8
2.9049 5
3.2037 5
2.6689 5
3.1727 8
2.7298 4
2.8812 4
2.9393 6
5 O 3.312 10
2.5611 6
2.6539 8
2.9764 8
2.9049 4
2.6257 7
2.6689 4
3.2037 4
2.6373 6
2.6904 7
3.1895 8
6 O 3.312 9
2.7611 4
3.0727 4
2.5611 5
2.6108 7
2.6952 8
2.8535 8
2.5404 7
2.6373 5
2.9393 4
7 O 3.312 9
2.5927 4
2.6108 6
2.9882 8
2.6257 5
2.5404 6
2.9171 8
2.704 8
2.6904 5
3.1641 8
8 O ,OH 3.36 12
2.9642 4
2.9764 5
2.6539 5
2.8535 6
2.6952 6
2.9882 7
3.3323 6
2.9171 7
2.704 7
3.1727 4
3.1641 7
3.1895 5
9 Be ,B 2.088 4
1.5985 5
1.6285 6
1.604 8
1.6204 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 7.329 14.659 0.083 119.94 4 33.9 431.1
2 0 0 2 8.948 17.896 0.101 79.74 2 25.2 79.1
3 1 0 0 9.347 18.694 0.105 72.9 2 51.2 298.0
4 0 1 2 10.692 21.383 0.12 55.2 4 23.0 91.1
5 1 1 0 11.03 22.06 0.124 51.74 4 3.0 1.5
6 0 2 0 11.669 23.337 0.131 46.01 2 4.9 1.8
7 1 1 -1 11.889 23.778 0.134 44.24 4 44.4 273.0
8 1 1 1 11.948 23.896 0.134 43.79 4 27.5 103.4
9 0 2 1 12.515 25.029 0.141 39.73 4 52.6 343.6
10 1 0 -2 12.941 25.883 0.145 37.02 2 84.5 412.6
11 1 0 2 13.05 26.099 0.147 36.37 2 50.2 143.4
12 1 1 -2 14.225 28.449 0.16 30.29 4 93.5 827.9
13 1 1 2 14.324 28.648 0.161 29.85 4 99.4 920.7
14 0 1 3 14.731 29.462 0.165 28.11 4 49.0 211.0
15 0 2 2 14.782 29.564 0.166 27.91 4 31.4 86.1
16 1 2 0 15.034 30.068 0.168 26.92 4 82.6 573.5
17 1 2 -1 15.689 31.378 0.176 24.56 4 99.5 759.2
18 1 2 1 15.734 31.469 0.176 24.41 4 104.6 833.8
19 1 1 -3 17.499 34.998 0.195 19.38 4 102.8 640.2
20 1 2 -2 17.564 35.127 0.196 19.22 4 34.7 72.1
21 1 1 3 17.623 35.246 0.197 19.08 4 87.8 459.4
22 1 2 2 17.646 35.292 0.197 19.03 4 18.0 19.2
23 0 2 3 17.985 35.97 0.2 18.25 4 14.3 11.6
24 0 0 4 18.124 36.248 0.202 17.95 2 61.5 106.1
25 0 3 1 18.251 36.503 0.203 17.67 4 38.2 80.4
26 2 0 0 18.955 37.909 0.211 16.26 2 73.0 135.2
27 0 1 4 19.093 38.186 0.212 16.0 4 67.8 229.8
28 2 1 0 19.889 39.778 0.221 14.62 4 16.9 13.0
29 0 3 2 19.933 39.867 0.221 14.54 4 90.6 372.9
30 1 3 0 20.128 40.256 0.223 14.23 4 57.4 146.3
31 1 2 -3 20.364 40.728 0.226 13.87 4 58.3 147.1
32 2 1 -1 20.388 40.776 0.226 13.83 4 1.5 0.1
33 2 1 1 20.461 40.921 0.227 13.72 4 53.3 121.7
34 1 0 -4 20.471 40.943 0.227 13.71 2 75.6 122.4
35 1 2 3 20.473 40.946 0.227 13.7 4 71.7 220.3
36 1 0 4 20.616 41.232 0.229 13.49 2 39.9 33.6
37 1 3 -1 20.64 41.281 0.229 13.46 4 47.5 95.0
38 1 3 1 20.676 41.353 0.229 13.4 4 0.9 0.0
39 2 0 -2 21.038 42.076 0.233 12.89 2 6.2 0.8
40 2 0 2 21.179 42.358 0.235 12.7 2 57.8 66.2
41 1 1 -4 21.35 42.7 0.236 12.48 4 20.8 16.8
42 1 1 4 21.49 42.98 0.238 12.29 4 53.1 108.1
43 0 2 4 21.78 43.56 0.241 11.93 4 3.4 0.4
44 2 1 -2 21.898 43.796 0.242 11.79 4 32.1 38.0
45 2 1 2 22.035 44.07 0.244 11.62 4 32.7 38.8
46 1 3 -2 22.153 44.307 0.245 11.48 4 39.3 55.4
47 1 3 2 22.221 44.442 0.245 11.4 4 69.9 173.8
48 2 2 0 22.497 44.995 0.248 11.09 4 3.9 0.5
49 0 3 3 22.502 45.004 0.248 11.08 4 43.9 66.6
50 2 2 -1 22.95 45.9 0.253 10.6 4 90.9 273.4
51 2 2 1 23.016 46.033 0.254 10.53 4 87.9 254.1
52 0 1 5 23.69 47.379 0.261 9.87 4 32.1 31.8
53 1 2 -4 23.829 47.658 0.262 9.74 4 4.4 0.6
54 0 4 0 23.86 47.72 0.263 9.71 2 90.5 124.1
55 1 2 4 23.957 47.915 0.264 9.62 4 20.3 12.4
56 2 1 -3 24.268 48.536 0.267 9.34 4 101.7 301.9
57 0 4 1 24.325 48.65 0.267 9.29 4 41.9 51.1
58 2 2 -2 24.333 48.666 0.267 9.28 4 22.6 14.8
59 2 1 3 24.457 48.915 0.269 9.18 4 96.0 264.1
60 2 2 2 24.459 48.919 0.269 9.18 4 13.2 5.0
61 1 3 -3 24.519 49.039 0.269 9.12 4 29.1 24.1
62 1 3 3 24.614 49.227 0.27 9.05 4 27.8 21.9
63 1 1 -5 25.605 51.21 0.281 8.27 4 17.9 8.2
64 0 4 2 25.682 51.364 0.281 8.21 4 81.2 169.2
65 0 3 4 25.755 51.51 0.282 8.16 4 74.1 140.0
66 1 1 5 25.757 51.514 0.282 8.16 4 40.5 41.7
67 1 4 0 25.842 51.684 0.283 8.1 4 91.1 210.1
68 0 2 5 25.996 51.991 0.285 7.99 4 94.0 220.3
69 1 4 -1 26.266 52.532 0.287 7.8 4 22.1 11.9
70 1 4 1 26.296 52.592 0.288 7.78 4 10.2 2.6
71 2 3 0 26.389 52.778 0.289 7.72 4 2.0 0.1
72 2 2 -3 26.537 53.073 0.29 7.62 4 0.5 0.0
73 2 0 -4 26.609 53.219 0.291 7.57 2 36.3 15.6
74 2 2 3 26.714 53.429 0.292 7.51 4 20.4 9.7
75 2 3 -1 26.792 53.584 0.293 7.46 4 28.8 19.4
76 2 0 4 26.846 53.692 0.293 7.42 2 60.6 42.6
77 2 3 1 26.851 53.702 0.293 7.42 4 56.9 75.0
78 2 1 -4 27.334 54.668 0.298 7.12 4 96.7 208.0
79 1 4 -2 27.54 55.079 0.3 7.0 4 21.5 10.1
80 2 1 4 27.566 55.133 0.3 6.99 4 71.8 112.6
81 1 3 -4 27.58 55.16 0.301 6.98 4 85.6 159.9
82 1 4 2 27.598 55.195 0.301 6.97 4 29.4 18.9
83 1 3 4 27.696 55.391 0.302 6.91 4 89.0 171.1
84 1 2 -5 27.795 55.591 0.303 6.86 4 47.3 48.0
85 0 0 6 27.815 55.63 0.303 6.85 2 99.8 106.4
86 0 4 3 27.838 55.675 0.303 6.84 4 17.7 6.7
87 1 2 5 27.939 55.878 0.304 6.78 4 70.4 105.0
88 2 3 -2 28.035 56.07 0.305 6.73 4 104.6 230.1
89 2 3 2 28.149 56.299 0.306 6.66 4 91.9 176.0
90 0 1 6 28.519 57.038 0.31 6.47 4 0.6 0.0
91 3 0 0 29.158 58.317 0.316 6.15 2 84.3 68.3
92 2 2 -4 29.436 58.872 0.319 6.02 4 11.6 2.5
93 1 0 -6 29.526 59.051 0.32 5.98 2 107.0 106.9
94 0 3 5 29.551 59.102 0.32 5.97 4 29.5 16.3
95 1 4 -3 29.589 59.178 0.321 5.95 4 30.5 17.3
96 2 2 4 29.657 59.315 0.321 5.92 4 36.7 24.9
97 1 4 3 29.672 59.344 0.321 5.92 4 12.6 2.9
98 1 0 6 29.691 59.383 0.322 5.91 2 113.7 119.3
99 3 1 0 29.842 59.684 0.323 5.84 4 0.5 0.0
100 2 3 -3 30.049 60.097 0.325 5.75 4 22.1 8.8
101 3 1 -1 30.201 60.402 0.327 5.69 4 21.4 8.1
102 1 1 -6 30.204 60.408 0.327 5.69 4 7.5 1.0
103 2 3 3 30.213 60.425 0.327 5.68 4 22.3 8.8
104 3 1 1 30.283 60.566 0.327 5.65 4 10.1 1.8
105 1 1 6 30.368 60.735 0.328 5.62 4 9.6 1.6
106 0 2 6 30.568 61.136 0.33 5.54 4 64.5 71.9
107 3 0 -2 30.679 61.359 0.331 5.49 2 61.4 32.3
108 0 4 4 30.683 61.366 0.331 5.49 4 42.4 30.8
109 0 5 1 30.769 61.538 0.332 5.46 4 32.8 18.3
110 3 0 2 30.842 61.683 0.333 5.43 2 28.9 7.1
111 2 1 -5 30.974 61.948 0.334 5.38 4 24.3 9.9
112 1 3 -5 31.215 62.43 0.336 5.29 4 31.2 16.0
113 2 1 5 31.242 62.485 0.337 5.28 4 1.3 0.0
114 2 4 0 31.25 62.501 0.337 5.27 4 18.6 5.7
115 3 1 -2 31.343 62.686 0.338 5.24 4 53.2 46.3
116 1 3 5 31.349 62.697 0.338 5.24 4 32.7 17.5
117 3 1 2 31.503 63.006 0.339 5.18 4 54.6 48.3
118 2 4 -1 31.613 63.226 0.34 5.14 4 21.0 7.1
119 2 4 1 31.666 63.333 0.341 5.12 4 40.0 25.6
120 3 2 0 31.839 63.679 0.342 5.06 4 29.1 13.4
121 0 5 2 31.939 63.878 0.343 5.03 4 15.6 3.8
122 1 5 0 32.078 64.156 0.345 4.98 4 15.1 3.5
123 3 2 -1 32.185 64.37 0.346 4.94 4 72.5 81.2
124 1 2 -6 32.188 64.376 0.346 4.94 4 3.7 0.2
125 3 2 1 32.264 64.528 0.347 4.92 4 77.9 93.3
126 1 4 -4 32.326 64.652 0.347 4.9 4 49.2 37.0
127 1 2 6 32.346 64.692 0.347 4.89 4 9.3 1.3
128 1 4 4 32.431 64.862 0.348 4.86 4 38.6 22.6
129 1 5 -1 32.449 64.898 0.348 4.86 4 54.9 45.7
130 1 5 1 32.475 64.95 0.349 4.85 4 65.5 65.1
131 2 4 -2 32.74 65.48 0.351 4.76 4 47.6 33.8
132 2 3 -4 32.75 65.5 0.351 4.76 4 22.4 7.5
133 2 4 2 32.844 65.689 0.352 4.73 4 47.2 32.9
134 2 2 -5 32.932 65.863 0.353 4.71 4 57.2 48.0
135 2 3 4 32.959 65.917 0.353 4.7 4 25.2 9.3
136 2 2 5 33.191 66.383 0.355 4.63 4 48.1 33.5
137 3 1 -3 33.222 66.445 0.356 4.62 4 69.4 69.5
138 3 2 -2 33.289 66.577 0.356 4.6 4 13.5 2.6
139 3 2 2 33.444 66.888 0.358 4.55 4 1.3 0.0
140 3 1 3 33.455 66.91 0.358 4.55 4 77.7 85.9
141 1 5 -2 33.574 67.147 0.359 4.52 4 0.9 0.0
142 0 1 7 33.621 67.242 0.359 4.5 4 1.6 0.0
143 1 5 2 33.625 67.25 0.359 4.5 4 14.7 3.1
144 0 3 6 33.819 67.638 0.361 4.45 4 8.4 1.0
145 0 5 3 33.839 67.678 0.361 4.44 4 23.2 7.4
146 0 4 5 34.132 68.263 0.364 4.36 4 7.1 0.7
147 2 0 -6 34.496 68.992 0.368 4.27 2 32.5 7.0
148 2 4 -3 34.592 69.185 0.369 4.24 4 3.9 0.2
149 2 4 3 34.745 69.489 0.37 4.21 4 31.2 12.8
150 2 0 6 34.801 69.601 0.37 4.19 2 38.5 9.7
151 3 3 0 35.027 70.054 0.373 4.14 4 35.7 16.5
152 3 2 -3 35.114 70.228 0.373 4.12 4 39.4 20.0
153 2 1 -6 35.121 70.242 0.373 4.12 4 6.9 0.6
154 1 1 -7 35.153 70.307 0.374 4.11 4 20.7 5.5
155 3 0 -4 35.163 70.327 0.374 4.11 2 2.0 0.0
156 1 1 7 35.33 70.66 0.375 4.07 4 37.5 17.9
157 3 2 3 35.341 70.682 0.375 4.06 4 15.9 3.2
158 3 3 -1 35.357 70.714 0.376 4.06 4 2.6 0.1
159 1 3 -6 35.36 70.719 0.376 4.06 4 17.7 4.0
160 1 5 -3 35.417 70.835 0.376 4.05 4 75.7 72.4
161 2 1 6 35.423 70.847 0.376 4.05 4 7.4 0.7
162 3 3 1 35.432 70.865 0.376 4.04 4 14.2 2.5
163 3 0 4 35.465 70.931 0.377 4.04 2 32.4 6.6
164 1 5 3 35.493 70.985 0.377 4.03 4 63.9 51.3
165 0 2 7 35.503 71.006 0.377 4.03 4 32.4 13.2
166 1 3 6 35.511 71.021 0.377 4.03 4 19.1 4.6
167 1 4 -5 35.679 71.357 0.379 3.99 4 47.7 28.3
168 3 1 -4 35.783 71.567 0.38 3.97 4 9.4 1.1
169 1 4 5 35.804 71.608 0.38 3.96 4 29.3 10.6
170 2 3 -5 36.071 72.143 0.382 3.9 4 5.3 0.3
171 3 1 4 36.083 72.166 0.382 3.9 4 7.6 0.7
172 2 3 5 36.32 72.641 0.384 3.85 4 4.1 0.2
173 3 3 -2 36.414 72.828 0.385 3.83 4 21.6 5.6
174 0 5 4 36.417 72.834 0.385 3.83 4 16.5 3.2
175 3 3 2 36.563 73.126 0.387 3.8 4 5.7 0.4
176 2 5 0 36.94 73.879 0.39 3.73 4 2.0 0.0
177 2 2 -6 36.969 73.938 0.39 3.73 4 30.9 11.1
178 1 2 -7 37.0 74.001 0.391 3.72 4 69.1 55.4
179 2 4 -4 37.123 74.246 0.392 3.7 4 37.6 16.3
180 1 2 7 37.173 74.346 0.392 3.69 4 53.5 33.0
181 2 2 6 37.265 74.53 0.393 3.67 4 45.7 24.0
182 2 5 -1 37.275 74.55 0.393 3.67 4 4.5 0.2
183 2 4 4 37.32 74.64 0.394 3.66 4 13.1 2.0
184 2 5 1 37.324 74.649 0.394 3.66 4 26.0 7.7
185 0 6 0 37.355 74.711 0.394 3.65 2 71.5 29.2
186 3 2 -4 37.618 75.236 0.396 3.61 4 0.9 0.0
187 0 6 1 37.714 75.428 0.397 3.59 4 60.9 41.6
188 3 2 4 37.912 75.824 0.399 3.56 4 26.5 7.8
189 1 5 -4 37.938 75.875 0.399 3.55 4 31.3 10.8
190 1 5 4 38.035 76.071 0.4 3.54 4 37.3 15.4
191 0 4 6 38.137 76.273 0.401 3.52 4 97.6 104.8
192 3 3 -3 38.175 76.349 0.401 3.52 4 35.4 13.8
193 2 5 -2 38.324 76.648 0.403 3.49 4 40.2 17.6
194 3 3 3 38.394 76.788 0.403 3.48 4 31.3 10.6
195 2 5 2 38.422 76.843 0.403 3.48 4 33.7 12.3
196 0 0 8 38.474 76.947 0.404 3.47 2 67.2 24.5
197 0 3 7 38.551 77.102 0.405 3.46 4 1.2 0.0
198 0 6 2 38.783 77.567 0.407 3.42 4 9.9 1.1
199 1 6 0 38.911 77.823 0.408 3.4 4 16.9 3.0
200 3 1 -5 38.98 77.961 0.408 3.39 4 32.9 11.5
201 0 1 8 39.074 78.148 0.409 3.38 4 58.3 35.9
202 1 6 -1 39.253 78.507 0.411 3.35 4 48.7 24.8
203 1 6 1 39.278 78.555 0.411 3.35 4 20.0 4.2
204 3 4 0 39.291 78.582 0.411 3.35 4 75.0 58.9
205 3 1 5 39.344 78.688 0.412 3.34 4 32.2 10.8
206 3 4 -1 39.608 79.215 0.414 3.31 4 39.6 16.2
207 1 4 -6 39.61 79.221 0.414 3.3 4 40.7 17.1
208 0 5 5 39.632 79.265 0.414 3.3 4 49.8 25.6
209 3 4 1 39.68 79.36 0.414 3.3 4 26.3 7.1
210 1 4 6 39.755 79.511 0.415 3.29 4 18.3 3.4
211 2 1 -7 39.768 79.536 0.415 3.28 4 10.1 1.0
212 1 0 -8 39.92 79.839 0.417 3.26 2 25.7 3.4
213 2 3 -6 39.978 79.955 0.417 3.26 4 13.6 1.9
214 1 3 -7 40.008 80.017 0.417 3.25 4 41.8 17.7
215 2 5 -3 40.069 80.138 0.418 3.25 4 80.4 65.6
216 2 1 7 40.106 80.211 0.418 3.24 4 32.7 10.8
217 1 0 8 40.113 80.225 0.418 3.24 2 8.6 0.4
218 1 3 7 40.177 80.354 0.419 3.23 4 21.2 4.5
219 2 5 3 40.213 80.427 0.419 3.23 4 76.4 58.8
220 2 3 6 40.267 80.533 0.42 3.22 4 14.0 2.0
221 2 4 -5 40.296 80.591 0.42 3.22 4 1.7 0.0
222 1 6 -2 40.298 80.597 0.42 3.22 4 41.2 17.1
223 1 6 2 40.347 80.693 0.42 3.21 4 22.8 5.2
224 1 1 -8 40.514 81.028 0.422 3.19 4 2.2 0.1
225 4 0 0 40.514 81.028 0.422 3.19 2 104.4 54.3
226 2 4 5 40.536 81.072 0.422 3.19 4 20.2 4.1
227 0 6 3 40.547 81.093 0.422 3.19 4 29.6 8.7
228 3 3 -4 40.612 81.224 0.423 3.18 4 65.5 42.6
229 3 4 -2 40.626 81.253 0.423 3.18 4 31.9 10.1
230 1 1 8 40.706 81.412 0.423 3.17 4 23.4 5.4
231 3 2 -5 40.767 81.534 0.424 3.16 4 67.9 45.6
232 3 4 2 40.771 81.541 0.424 3.16 4 37.1 13.6
233 0 2 8 40.859 81.719 0.425 3.15 4 19.6 3.8
234 3 3 4 40.9 81.8 0.425 3.15 4 54.4 29.1
235 1 5 -5 41.104 82.207 0.427 3.13 4 9.6 0.9
236 4 1 0 41.106 82.213 0.427 3.13 4 23.3 5.3
237 3 2 5 41.127 82.254 0.427 3.12 4 61.8 37.3
238 1 5 5 41.224 82.447 0.428 3.11 4 39.9 15.5
239 4 1 -1 41.408 82.816 0.429 3.1 4 40.6 15.9
240 4 1 1 41.504 83.008 0.43 3.09 4 14.2 1.9
241 2 2 -7 41.546 83.093 0.431 3.08 4 70.5 47.9
242 4 0 -2 41.817 83.634 0.433 3.06 2 14.9 1.1
243 2 2 7 41.881 83.762 0.433 3.05 4 76.0 55.0
244 4 0 2 42.008 84.016 0.434 3.04 2 16.5 1.3
245 1 6 -3 42.035 84.07 0.435 3.04 4 31.7 9.5
246 1 6 3 42.107 84.213 0.435 3.03 4 17.7 3.0
247 3 0 -6 42.211 84.421 0.436 3.02 2 87.0 35.7
248 1 2 -8 42.286 84.572 0.437 3.01 4 19.4 3.6
249 3 4 -3 42.337 84.673 0.437 3.01 4 4.1 0.2
250 4 1 -2 42.406 84.812 0.438 3.0 4 23.2 5.1
251 1 2 8 42.477 84.953 0.438 3.0 4 20.4 3.9
252 2 5 -4 42.492 84.984 0.438 2.99 4 10.4 1.0
253 3 4 3 42.551 85.102 0.439 2.99 4 21.0 4.1
254 4 1 2 42.597 85.193 0.439 2.99 4 6.6 0.4
255 3 0 6 42.64 85.279 0.44 2.98 2 84.3 33.1
256 2 5 4 42.683 85.365 0.44 2.98 4 8.0 0.6
257 0 4 7 42.705 85.409 0.44 2.98 4 11.5 1.2
258 3 1 -6 42.799 85.597 0.441 2.97 4 26.1 6.3
259 4 2 0 42.874 85.749 0.442 2.96 4 7.1 0.5
260 0 6 4 42.989 85.977 0.443 2.95 4 33.5 10.4
261 4 2 -1 43.174 86.348 0.444 2.94 4 49.1 22.2
262 3 1 6 43.227 86.454 0.445 2.94 4 4.2 0.2
263 4 2 1 43.269 86.538 0.445 2.93 4 32.5 9.7
264 0 5 6 43.475 86.95 0.447 2.92 4 3.4 0.1
265 2 6 0 43.49 86.981 0.447 2.92 4 33.4 10.1
266 3 3 -5 43.712 87.423 0.449 2.9 4 33.6 10.2
267 0 3 8 43.803 87.606 0.449 2.9 4 23.6 5.0
268 2 6 -1 43.813 87.627 0.449 2.9 4 35.9 11.6
269 2 6 1 43.861 87.722 0.45 2.89 4 63.2 36.1
270 3 3 5 44.068 88.136 0.451 2.88 4 34.5 10.7
271 4 1 -3 44.095 88.189 0.452 2.88 4 36.9 12.3
272 2 4 -6 44.105 88.209 0.452 2.88 4 44.6 17.9
273 1 4 -7 44.135 88.27 0.452 2.88 4 26.0 6.1
274 4 2 -2 44.167 88.334 0.452 2.87 4 15.4 2.1
275 1 4 7 44.301 88.603 0.453 2.87 4 20.2 3.7
276 4 2 2 44.357 88.715 0.454 2.86 4 1.1 0.0
277 4 1 3 44.38 88.759 0.454 2.86 4 44.0 17.3
278 2 0 -8 44.385 88.77 0.454 2.86 2 20.1 1.8
279 2 4 6 44.39 88.779 0.454 2.86 4 68.1 41.4
280 1 6 -4 44.454 88.908 0.455 2.86 4 16.7 2.5
281 2 3 -7 44.484 88.969 0.455 2.86 4 4.1 0.1
282 1 6 4 44.549 89.098 0.455 2.85 4 7.6 0.5
283 3 2 -6 44.559 89.117 0.455 2.85 4 0.4 0.0
284 3 5 0 44.602 89.204 0.456 2.85 4 4.5 0.2
285 3 4 -4 44.731 89.461 0.457 2.84 4 26.1 6.0
286 2 0 8 44.765 89.53 0.457 2.84 2 42.8 8.1
287 2 3 7 44.817 89.634 0.458 2.84 4 21.8 4.2
288 2 6 -2 44.83 89.659 0.458 2.84 4 10.7 1.0
289 3 5 -1 44.913 89.826 0.458 2.83 4 60.7 32.6
290 1 5 -6 44.916 89.831 0.458 2.83 4 5.6 0.3
291 2 6 2 44.925 89.849 0.458 2.83 4 38.8 13.3
292 2 1 -8 44.971 89.942 0.459 2.83 4 56.7 28.5
293 3 5 1 44.984 89.968 0.459 2.83 4 39.4 13.7
294 3 2 6 44.986 89.972 0.459 2.83 4 8.9 0.7
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 7.329 14.659 6.038 431.1 46.8 47.3 5.6
2 0 0 2 8.948 17.896 4.95233 79.1 8.6 8.7 5.6
3 1 0 0 9.347 18.694 4.74284 298.0 32.4 32.6 5.6
4 0 1 2 10.692 21.383 4.15193 91.1 9.9 9.9 5.6
5 1 1 -1 11.889 23.778 3.73887 273.0 29.6 29.8 5.6
6 1 1 1 11.948 23.896 3.72075 103.4 11.2 11.3 5.6
7 0 2 1 12.515 25.029 3.55477 343.6 37.3 37.4 5.6
8 1 0 -2 12.941 25.883 3.43948 412.6 44.8 44.9 5.6
9 1 0 2 13.05 26.099 3.41141 143.4 15.6 15.6 5.6
10 1 1 -2 14.225 28.449 3.13471 827.9 89.9 89.9 5.6
11 1 1 2 14.324 28.648 3.11342 920.7 100.0 100.0 5.6
12 0 1 3 14.731 29.462 3.02924 211.0 22.9 22.9 5.6
13 0 2 2 14.782 29.564 3.019 86.1 9.3 9.3 5.6
14 1 2 0 15.034 30.068 2.96959 573.5 62.3 62.2 5.6
15 1 2 -1 15.689 31.378 2.84852 759.2 82.5 82.3 5.6
16 1 2 1 15.734 31.469 2.84048 833.8 90.6 90.3 5.6
17 1 1 -3 17.499 34.998 2.56171 640.2 69.5 69.2 5.7
18 1 2 -2 17.564 35.127 2.5526 72.1 7.8 7.8 5.7
19 1 1 3 17.623 35.246 2.54428 478.6 52.0 51.7 5.7
20 0 2 3 17.985 35.97 2.49467 11.6 1.3 1.3 5.7
21 0 0 4 18.124 36.248 2.47617 106.1 11.5 11.4 5.7
22 0 3 1 18.251 36.503 2.45948 80.4 8.7 8.7 5.7
23 2 0 0 18.955 37.909 2.37142 135.2 14.7 14.6 5.7
24 0 1 4 19.093 38.186 2.35486 229.8 25.0 24.7 5.7
25 2 1 0 19.889 39.778 2.26422 13.0 1.4 1.4 5.7
26 0 3 2 19.933 39.867 2.25937 372.9 40.5 40.1 5.7
27 1 3 0 20.128 40.256 2.23843 146.3 15.9 15.7 5.7
28 1 2 -3 20.364 40.728 2.21354 147.2 16.0 15.8 5.7
29 1 2 3 20.473 40.946 2.20226 464.4 50.4 49.9 5.7
30 1 3 -1 20.64 41.281 2.18519 128.6 14.0 13.8 5.7
31 2 0 2 21.179 42.358 2.13205 66.2 7.2 7.1 5.7
32 1 1 -4 21.35 42.7 2.11577 16.8 1.8 1.8 5.7
33 1 1 4 21.49 42.98 2.10267 108.1 11.7 11.6 5.7
34 2 1 -2 21.898 43.796 2.06533 38.0 4.1 4.1 5.7
35 2 1 2 22.035 44.07 2.05314 38.8 4.2 4.2 5.7
36 1 3 -2 22.153 44.307 2.04272 55.4 6.0 5.9 5.7
37 1 3 2 22.221 44.442 2.03679 173.8 18.9 18.6 5.7
38 0 3 3 22.502 45.004 2.01267 66.6 7.2 7.1 5.7
39 2 2 -1 22.95 45.9 1.97542 273.4 29.7 29.2 5.7
40 2 2 1 23.016 46.033 1.97006 254.1 27.6 27.1 5.7
41 0 1 5 23.69 47.379 1.91716 31.8 3.5 3.4 5.7
42 0 4 0 23.86 47.72 1.90425 124.1 13.5 13.2 5.7
43 1 2 4 23.957 47.915 1.89698 12.4 1.3 1.3 5.7
44 2 1 -3 24.268 48.536 1.87415 301.9 32.8 32.2 5.7
45 0 4 1 24.325 48.65 1.87 65.9 7.2 7.0 5.7
46 2 1 3 24.457 48.915 1.86051 269.0 29.2 28.6 5.7
47 1 3 -3 24.519 49.039 1.85609 24.1 2.6 2.6 5.7
48 1 3 3 24.614 49.227 1.84942 21.9 2.4 2.3 5.7
49 0 4 2 25.682 51.364 1.77738 169.2 18.4 18.0 5.8
50 0 3 4 25.755 51.51 1.77271 181.7 19.7 19.3 5.8
51 1 4 0 25.842 51.684 1.76714 210.1 22.8 22.3 5.8
52 0 2 5 25.996 51.991 1.75742 220.3 23.9 23.4 5.8
53 1 4 -1 26.266 52.532 1.74058 11.9 1.3 1.3 5.8
54 2 0 -4 26.609 53.219 1.71974 15.6 1.7 1.7 5.8
55 2 2 3 26.714 53.429 1.71347 9.7 1.1 1.0 5.8
56 2 3 -1 26.792 53.584 1.70887 19.4 2.1 2.0 5.8
57 2 3 1 26.851 53.702 1.70539 117.6 12.8 12.5 5.8
58 2 1 -4 27.334 54.668 1.67752 208.0 22.6 22.0 5.8
59 1 3 -4 27.58 55.16 1.66372 301.5 32.7 31.8 5.8
60 1 3 4 27.696 55.391 1.65733 171.1 18.6 18.1 5.8
61 0 0 6 27.815 55.63 1.65078 161.1 17.5 17.0 5.8
62 1 2 5 27.939 55.878 1.64403 105.0 11.4 11.1 5.8
63 2 3 -2 28.035 56.07 1.63886 230.1 25.0 24.3 5.8
64 2 3 2 28.149 56.299 1.63274 176.0 19.1 18.6 5.8
65 3 0 0 29.158 58.317 1.58095 68.3 7.4 7.2 5.8
66 1 0 -6 29.526 59.051 1.56303 123.2 13.4 12.9 5.8
67 1 4 -3 29.589 59.178 1.55999 17.3 1.9 1.8 5.8
68 2 2 4 29.657 59.315 1.55671 27.8 3.0 2.9 5.8
69 1 0 6 29.691 59.383 1.55509 119.3 13.0 12.5 5.8
70 2 3 3 30.213 60.425 1.53073 17.9 1.9 1.9 5.8
71 0 2 6 30.568 61.136 1.51462 71.9 7.8 7.5 5.8
72 3 0 -2 30.679 61.359 1.50966 63.1 6.9 6.6 5.8
73 0 5 1 30.769 61.538 1.50569 18.3 2.0 1.9 5.8
74 2 1 -5 30.974 61.948 1.49671 9.9 1.1 1.0 5.8
75 1 3 -5 31.215 62.43 1.48631 16.1 1.7 1.7 5.8
76 3 1 -2 31.343 62.686 1.48085 63.8 6.9 6.7 5.8
77 3 1 2 31.503 63.006 1.4741 48.3 5.2 5.0 5.9
78 2 4 1 31.666 63.333 1.46728 25.6 2.8 2.7 5.9
79 3 2 0 31.839 63.679 1.46014 13.4 1.5 1.4 5.9
80 3 2 -1 32.185 64.37 1.44611 81.4 8.8 8.5 5.9
81 3 2 1 32.264 64.528 1.44295 93.3 10.1 9.7 5.9
82 1 4 -4 32.326 64.652 1.44049 38.3 4.2 4.0 5.9
83 1 5 -1 32.449 64.898 1.43563 133.4 14.5 13.9 5.9
84 2 4 -2 32.74 65.48 1.42426 41.2 4.5 4.3 5.9
85 2 4 2 32.844 65.689 1.42024 32.9 3.6 3.4 5.9
86 2 2 -5 32.932 65.863 1.4169 57.3 6.2 6.0 5.9
87 2 2 5 33.191 66.383 1.40707 33.5 3.6 3.5 5.9
88 3 1 -3 33.222 66.445 1.4059 69.5 7.5 7.2 5.9
89 3 1 3 33.455 66.91 1.39725 85.9 9.3 8.9 5.9
90 2 4 3 34.745 69.489 1.35156 12.8 1.4 1.3 5.9
91 2 0 6 34.801 69.601 1.34966 9.7 1.1 1.0 5.9
92 3 3 0 35.027 70.054 1.34205 16.5 1.8 1.7 5.9
93 3 2 -3 35.114 70.228 1.33913 20.6 2.2 2.1 5.9
94 1 1 7 35.33 70.66 1.33202 21.2 2.3 2.2 5.9
95 1 5 -3 35.417 70.835 1.32915 75.6 8.2 7.8 5.9
96 1 5 3 35.493 70.985 1.3267 75.8 8.2 7.8 5.9
97 1 4 -5 35.679 71.357 1.32069 28.3 3.1 2.9 5.9
98 1 4 5 35.804 71.608 1.31669 11.7 1.3 1.2 5.9
99 2 2 -6 36.969 73.938 1.28086 11.1 1.2 1.1 6.0
100 1 2 -7 37.0 74.001 1.27992 55.4 6.0 5.7 6.0
101 2 4 -4 37.123 74.246 1.2763 16.3 1.8 1.7 6.0
102 1 2 7 37.173 74.346 1.27482 33.0 3.6 3.4 6.0
103 2 2 6 37.265 74.53 1.27214 24.2 2.6 2.5 6.0
104 2 5 1 37.324 74.649 1.2704 9.7 1.1 1.0 6.0
105 0 6 0 37.355 74.711 1.2695 29.2 3.2 3.0 6.0
106 0 6 1 37.714 75.428 1.2592 41.6 4.5 4.2 6.0
107 1 5 -4 37.938 75.875 1.25289 18.7 2.0 1.9 6.0
108 1 5 4 38.035 76.071 1.25015 15.4 1.7 1.6 6.0
109 0 4 6 38.137 76.273 1.24734 104.8 11.4 10.7 6.0
110 3 3 -3 38.175 76.349 1.24629 13.8 1.5 1.4 6.0
111 2 5 -2 38.324 76.648 1.24217 17.6 1.9 1.8 6.0
112 2 5 2 38.422 76.843 1.2395 23.0 2.5 2.3 6.0
113 0 0 8 38.474 76.947 1.23808 24.5 2.7 2.5 6.0
114 3 1 -5 38.98 77.961 1.2245 11.5 1.2 1.2 6.0
115 0 1 8 39.074 78.148 1.22205 35.9 3.9 3.6 6.0
116 1 6 -1 39.253 78.507 1.21735 29.0 3.2 2.9 6.0
117 3 4 0 39.291 78.582 1.21638 58.9 6.4 6.0 6.0
118 3 1 5 39.344 78.688 1.215 10.8 1.2 1.1 6.0
119 0 5 5 39.632 79.265 1.2076 58.9 6.4 6.0 6.0
120 1 3 -7 40.008 80.017 1.19813 17.7 1.9 1.8 6.0
121 2 5 -3 40.069 80.138 1.19663 65.6 7.1 6.6 6.0
122 2 1 7 40.106 80.211 1.19572 11.2 1.2 1.1 6.0
123 2 5 3 40.213 80.427 1.19306 58.8 6.4 5.9 6.0
124 1 6 -2 40.298 80.597 1.19097 17.1 1.9 1.7 6.1
125 4 0 0 40.514 81.028 1.18571 58.4 6.3 5.9 6.1
126 3 3 -4 40.612 81.224 1.18335 52.7 5.7 5.3 6.1
127 3 2 -5 40.767 81.534 1.17963 59.1 6.4 6.0 6.1
128 3 3 4 40.9 81.8 1.17647 29.1 3.2 2.9 6.1
129 3 2 5 41.127 82.254 1.17112 42.6 4.6 4.3 6.1
130 1 5 5 41.224 82.447 1.16886 15.5 1.7 1.6 6.1
131 4 1 -1 41.408 82.816 1.16459 15.9 1.7 1.6 6.1
132 2 2 -7 41.546 83.093 1.16142 47.9 5.2 4.8 6.1
133 2 2 7 41.881 83.762 1.15383 55.0 6.0 5.5 6.1
134 1 6 -3 42.035 84.07 1.15038 10.8 1.2 1.1 6.1
135 3 0 -6 42.211 84.421 1.14649 35.7 3.9 3.6 6.1
136 3 0 6 42.64 85.279 1.13714 33.1 3.6 3.3 6.1
137 0 6 4 42.989 85.977 1.12968 10.4 1.1 1.0 6.1
138 4 2 -1 43.174 86.348 1.12578 22.2 2.4 2.2 6.1
139 4 2 1 43.269 86.538 1.1238 9.7 1.1 1.0 6.1
140 2 6 0 43.49 86.981 1.11922 10.1 1.1 1.0 6.1
141 3 3 -5 43.712 87.423 1.11468 10.2 1.1 1.0 6.2
142 2 6 -1 43.813 87.627 1.11262 16.7 1.8 1.7 6.2
143 2 6 1 43.861 87.722 1.11166 36.1 3.9 3.6 6.2
144 2 4 -6 44.105 88.209 1.10677 47.0 5.1 4.7 6.2
145 2 4 6 44.39 88.779 1.10113 60.5 6.6 6.0 6.2
146 3 5 -1 44.913 89.826 1.091 46.2 5.0 4.6 6.2
147 2 1 -8 44.971 89.942 1.08989 42.9 4.7 4.2 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)
|