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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PREHNITE
2
Ca(2)Al(OH)(2)[Si(3)AlO(10)]
Orthorhombic P 2cm Z = 2
P2cm
22 .3 .1988
Ref.Str.:
Preisinger A. (1965)
* Miner. Petrogr. Mitt.,10, 491-504
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.627 alpha = 90.0
b = 5.49 beta = 90.0
c = 18.48 gamma = 90.0
Unit cell volume (cub. angs.) = 469.43
Molar volume ( cub.cm/mol.) = 141.38
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.755 0.151 0.0 Ca = 1.00
2 0.822 0.5 0.0 0.0 Si = 1.00
3 0.5 0.25 0.1305 0.0 Si = 1.00
4 0.217 0.0 0.0 0.0 Al = 1.00
5 0.008 0.259 0.25 0.0 Al = 1.00
6 0.027 0.735 0.018 0.0 O = 1.00
7 0.644 0.452 0.076 0.0 O = 1.00
8 0.38 0.03 0.08 0.0 O = 1.00
9 0.25 0.384 0.177 0.0 O = 1.00
10 0.763 0.126 0.177 0.0 O = 1.00
11 0.22 0.95 0.25 0.0 OH = 1.00
12 0.785 0.565 0.25 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.755 0.151
2 2 0.822 0.5 0.0
3 3 0.5 0.25 0.1305
4 4 0.217 0.0 0.0
5 5 0.008 0.259 0.25
6 6 0.027 0.735 0.018
7 7 0.644 0.452 0.076
8 8 0.38 0.03 0.08
9 9 0.25 0.384 0.177
10 10 0.763 0.126 0.177
11 11 0.22 0.95 0.25
12 12 0.785 0.565 0.25
13 1 0.0 0.245 0.651
14 2 0.822 0.5 0.5
15 3 0.5 0.75 0.6305
16 4 0.217 0.0 0.5
17 5 0.008 0.741 0.75
18 6 0.027 0.265 0.518
19 7 0.644 0.548 0.576
20 8 0.38 0.97 0.58
21 9 0.25 0.616 0.677
22 10 0.763 0.874 0.677
23 11 0.22 0.05 0.75
24 12 0.785 0.435 0.75
25 1 0.0 0.755 0.349
26 3 0.5 0.25 0.3695
27 6 0.027 0.735 0.482
28 7 0.644 0.452 0.424
29 8 0.38 0.03 0.42
30 9 0.25 0.384 0.323
31 10 0.763 0.126 0.323
32 1 0.0 0.245 0.849
33 3 0.5 0.75 0.8695
34 6 0.027 0.265 0.982
35 7 0.644 0.548 0.924
36 8 0.38 0.97 0.92
37 9 0.25 0.616 0.823
38 10 0.763 0.874 0.823
X-ray density (g/cm cub.) = 2.92
MU (1/cm) = 162.279 Mass attenuation coefficient (cm**2/g) = 55.641
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.928 7
2.4635 6
2.7206 7
2.6632 8
2.3911 9
2.3626 10
2.3515 11
2.3291 12
2 Si 2.148 4
1.6355 6
1.6493 7
1.6355 6
1.6493 7
3 Si 2.148 4
1.6396 7
1.6242 8
1.6179 9
1.6379 10
4 Al 2.364 4
1.7321 6
1.6678 8
1.7321 6
1.6678 8
5 Al 2.364 6
1.8827 9
1.9074 10
1.9596 11
1.9715 12
1.8827 9
1.9074 10
6 O 3.312 6
2.5891 7
2.5697 8
2.9848 6
2.6647 6
2.6855 7
2.759 8
7 O 3.312 6
2.5891 6
2.6201 8
2.6356 9
2.6439 10
2.6855 6
2.858 7
8 O 3.312 7
2.5697 6
2.6201 7
2.7115 9
2.5752 10
3.2574 11
2.759 6
2.9751 8
9 O 3.312 8
2.6356 7
2.7115 8
2.7641 10
2.6615 10
2.7416 11
2.9892 12
2.727 12
2.6981 9
10 O 3.312 8
2.6439 7
2.5752 8
2.6615 9
2.7641 9
2.6879 11
3.011 11
2.7639 12
2.6981 10
11 OH 3.36 9
3.2574 8
2.7416 9
3.011 10
2.6879 10
2.9187 12
3.2574 8
2.7416 9
3.011 10
2.6879 10
12 OH 3.36 9
3.3392 7
2.727 9
2.9892 9
2.7639 10
2.9187 11
3.3392 7
2.727 9
2.9892 9
2.7639 10
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 2 4.782 9.564 0.054 284.81 2 5.4 7.4
2 0 1 0 8.066 16.131 0.091 98.65 2 3.8 1.3
3 0 1 1 8.416 16.833 0.095 90.42 4 31.0 157.8
4 0 1 2 9.393 18.786 0.106 72.16 4 4.4 2.5
5 1 0 0 9.583 19.166 0.108 69.24 2 56.7 201.9
6 0 0 4 9.598 19.195 0.108 69.02 2 16.5 17.0
7 1 0 2 10.73 21.46 0.121 54.79 4 26.7 70.9
8 0 1 3 10.833 21.665 0.122 53.72 4 5.2 2.7
9 1 1 0 12.575 25.15 0.141 39.33 4 64.6 298.4
10 0 1 4 12.586 25.172 0.141 39.25 4 8.6 5.3
11 1 1 1 12.807 25.614 0.144 37.84 8 72.3 718.7
12 1 1 2 13.481 26.963 0.151 33.95 8 59.9 441.7
13 1 0 4 13.628 27.255 0.153 33.18 4 67.9 277.3
14 0 0 6 14.483 28.966 0.162 29.15 2 74.4 146.4
15 1 1 3 14.541 29.082 0.163 28.91 8 80.2 674.9
16 0 1 5 14.551 29.101 0.163 28.86 4 10.4 5.6
17 1 1 4 15.916 31.831 0.178 23.81 8 56.1 272.4
18 0 2 0 16.297 32.593 0.182 22.62 2 42.4 36.9
19 0 2 1 16.481 32.961 0.184 22.08 4 4.9 1.0
20 0 1 6 16.664 33.328 0.186 21.56 4 2.9 0.3
21 0 2 2 17.022 34.043 0.19 20.58 4 61.8 142.5
22 1 0 6 17.484 34.967 0.195 19.42 4 80.0 225.4
23 1 1 5 17.541 35.082 0.196 19.28 8 91.4 585.3
24 0 2 3 17.891 35.783 0.199 18.46 4 3.6 0.4
25 0 1 7 18.89 37.78 0.21 16.38 4 39.2 45.7
26 1 2 0 19.043 38.086 0.212 16.09 4 68.4 136.5
27 0 2 4 19.051 38.102 0.212 16.08 4 85.4 212.7
28 1 2 1 19.204 38.408 0.214 15.8 8 45.9 120.6
29 1 1 6 19.365 38.729 0.215 15.51 8 43.8 108.2
30 2 0 0 19.448 38.896 0.216 15.36 2 39.2 21.4
31 0 0 8 19.479 38.957 0.216 15.31 2 74.9 77.8
32 1 2 2 19.68 39.359 0.219 14.96 8 10.0 5.4
33 2 0 2 20.074 40.147 0.223 14.32 4 4.8 0.6
34 1 2 3 20.452 40.904 0.227 13.74 8 36.5 66.3
35 0 2 5 20.459 40.918 0.227 13.72 4 1.4 0.0
36 2 1 0 21.18 42.361 0.235 12.7 4 12.6 3.7
37 0 1 8 21.209 42.418 0.235 12.66 4 0.8 0.0
38 2 1 1 21.328 42.655 0.236 12.51 8 20.7 19.5
39 1 1 7 21.349 42.698 0.236 12.48 8 27.8 35.1
40 1 2 4 21.494 42.989 0.238 12.29 8 6.0 1.6
41 2 1 2 21.765 43.53 0.241 11.95 8 6.7 2.0
42 2 0 4 21.861 43.723 0.242 11.83 4 79.8 136.7
43 1 0 8 21.882 43.765 0.242 11.8 4 42.1 37.9
44 0 2 6 22.079 44.158 0.244 11.57 4 61.1 78.3
45 2 1 3 22.478 44.956 0.248 11.11 8 18.3 13.6
46 1 2 5 22.778 45.556 0.251 10.78 8 22.4 19.7
47 2 1 4 23.448 46.896 0.258 10.1 8 43.2 68.5
48 1 1 8 23.468 46.936 0.259 10.08 8 55.0 110.7
49 0 1 9 23.61 47.221 0.26 9.94 4 37.0 24.6
50 0 2 7 23.879 47.759 0.263 9.69 4 1.7 0.0
51 1 2 6 24.274 48.548 0.267 9.34 8 2.7 0.2
52 2 0 6 24.608 49.217 0.27 9.05 4 8.3 1.1
53 0 0 10 24.634 49.268 0.271 9.03 2 44.6 16.3
54 2 1 5 24.652 49.304 0.271 9.01 8 51.5 86.8
55 0 3 0 24.893 49.785 0.273 8.82 2 6.0 0.3
56 0 3 1 25.023 50.045 0.275 8.71 4 20.6 6.7
57 0 3 2 25.41 50.82 0.279 8.41 4 3.7 0.2
58 1 1 9 25.705 51.41 0.282 8.19 8 64.5 123.8
59 2 2 0 25.813 51.625 0.283 8.12 4 160.3 378.7
60 0 2 8 25.837 51.674 0.283 8.1 4 49.6 36.2
61 2 2 1 25.939 51.879 0.284 8.03 8 15.2 6.7
62 1 2 7 25.958 51.915 0.284 8.01 8 26.4 20.3
63 0 3 3 26.046 52.093 0.285 7.95 4 47.4 32.4
64 2 1 6 26.067 52.133 0.285 7.94 8 44.6 57.3
65 0 1 10 26.091 52.182 0.285 7.92 4 1.7 0.0
66 2 2 2 26.317 52.634 0.288 7.77 8 12.4 4.3
67 1 0 10 26.669 53.338 0.291 7.54 4 43.8 26.2
68 1 3 0 26.913 53.827 0.294 7.38 4 80.1 85.9
69 0 3 4 26.919 53.839 0.294 7.38 4 10.0 1.3
70 2 2 3 26.938 53.876 0.294 7.36 8 11.3 3.4
71 1 3 1 27.037 54.073 0.295 7.3 8 41.2 45.1
72 1 3 2 27.404 54.807 0.299 7.08 8 21.1 11.5
73 2 1 7 27.672 55.344 0.301 6.93 8 89.5 201.5
74 2 2 4 27.792 55.583 0.303 6.86 8 13.0 4.2
75 1 2 8 27.809 55.618 0.303 6.85 8 21.0 11.0
76 0 2 9 27.935 55.871 0.304 6.78 4 2.1 0.1
77 1 3 3 28.008 56.016 0.305 6.74 8 44.8 49.1
78 0 3 5 28.014 56.028 0.305 6.74 4 44.2 23.9
79 1 1 10 28.051 56.101 0.305 6.72 8 18.9 8.7
80 2 0 8 28.113 56.227 0.306 6.68 4 60.6 44.6
81 0 1 11 28.652 57.304 0.311 6.4 4 14.7 2.5
82 1 3 4 28.841 57.681 0.313 6.31 8 28.1 18.1
83 2 2 5 28.864 57.728 0.313 6.3 8 12.0 3.3
84 0 3 6 29.315 58.63 0.318 6.08 4 11.6 1.5
85 2 1 8 29.45 58.9 0.319 6.02 8 48.3 51.0
86 1 2 9 29.813 59.627 0.323 5.85 8 3.9 0.3
87 1 3 5 29.889 59.777 0.323 5.82 8 92.6 181.1
88 3 0 0 29.962 59.924 0.324 5.79 2 28.6 4.3
89 0 0 12 30.012 60.024 0.325 5.77 2 103.3 55.9
90 2 2 6 30.142 60.283 0.326 5.71 8 54.3 61.1
91 0 2 10 30.164 60.328 0.326 5.7 4 92.0 87.7
92 3 0 2 30.42 60.84 0.329 5.6 4 15.9 2.6
93 1 1 11 30.502 61.004 0.329 5.56 8 2.1 0.1
94 0 3 7 30.808 61.615 0.332 5.44 4 88.4 77.3
95 1 3 6 31.14 62.281 0.336 5.31 8 26.0 13.1
96 3 1 0 31.249 62.498 0.337 5.27 4 10.1 1.0
97 0 1 12 31.298 62.596 0.337 5.26 4 0.4 0.0
98 3 1 1 31.361 62.722 0.338 5.23 8 43.1 35.3
99 2 1 9 31.388 62.777 0.338 5.22 8 14.3 3.9
100 2 2 7 31.611 63.222 0.34 5.14 8 6.6 0.8
101 3 1 2 31.696 63.392 0.341 5.11 8 9.9 1.8
102 3 0 4 31.771 63.541 0.342 5.09 4 17.8 2.9
103 1 0 12 31.814 63.627 0.342 5.07 4 60.7 33.9
104 1 2 10 31.96 63.921 0.344 5.02 8 47.1 40.4
105 2 0 10 32.24 64.481 0.346 4.93 4 79.0 55.8
106 3 1 3 32.25 64.5 0.346 4.92 8 49.2 43.2
107 2 3 0 32.458 64.916 0.348 4.85 4 4.1 0.1
108 0 3 8 32.479 64.959 0.349 4.85 4 5.8 0.3
109 0 2 11 32.517 65.035 0.349 4.84 4 8.9 0.7
110 2 3 1 32.568 65.136 0.349 4.82 8 9.7 1.7
111 1 3 7 32.584 65.168 0.35 4.81 8 30.2 15.9
112 2 3 2 32.896 65.792 0.353 4.72 8 4.8 0.4
113 3 1 4 33.017 66.035 0.354 4.68 8 38.8 25.6
114 1 1 12 33.06 66.119 0.354 4.67 8 45.7 35.5
115 2 2 8 33.26 66.521 0.356 4.61 8 95.2 151.7
116 2 3 3 33.44 66.879 0.358 4.55 8 6.1 0.6
117 2 1 10 33.478 66.956 0.358 4.54 8 8.9 1.3
118 3 0 6 33.955 67.91 0.363 4.41 4 19.1 2.9
119 3 1 5 33.991 67.981 0.363 4.4 8 84.6 114.3
120 0 1 13 34.037 68.075 0.363 4.39 4 5.1 0.2
121 0 4 0 34.14 68.281 0.364 4.36 2 120.7 57.7
122 2 3 4 34.193 68.386 0.365 4.35 8 29.3 13.5
123 1 3 8 34.209 68.417 0.365 4.34 8 10.1 1.6
124 1 2 11 34.246 68.491 0.365 4.33 8 11.2 2.0
125 0 4 1 34.248 68.495 0.365 4.33 4 3.0 0.1
126 0 3 9 34.321 68.642 0.366 4.31 4 38.2 11.4
127 0 4 2 34.568 69.136 0.368 4.25 4 34.8 9.4
128 3 2 0 34.95 69.9 0.372 4.16 4 50.5 19.2
129 0 2 12 34.996 69.992 0.372 4.15 4 57.2 24.6
130 3 2 1 35.056 70.112 0.373 4.13 8 34.7 18.0
131 2 2 9 35.081 70.163 0.373 4.13 8 10.6 1.7
132 0 4 3 35.099 70.197 0.373 4.12 4 6.2 0.3
133 2 3 5 35.151 70.301 0.374 4.11 8 5.7 0.5
134 3 1 6 35.162 70.325 0.374 4.11 8 8.6 1.1
135 3 2 2 35.373 70.746 0.376 4.06 8 10.4 1.6
136 0 0 14 35.7 71.401 0.379 3.98 2 43.6 6.9
137 2 1 11 35.715 71.429 0.379 3.98 8 24.8 8.9
138 1 1 13 35.73 71.46 0.379 3.98 8 39.8 22.9
139 1 4 0 35.831 71.662 0.38 3.96 4 36.7 9.7
140 0 4 4 35.836 71.672 0.38 3.95 4 5.8 0.2
141 3 2 3 35.898 71.797 0.381 3.94 8 4.6 0.3
142 1 4 1 35.936 71.871 0.381 3.93 8 10.4 1.6
143 1 3 9 36.007 72.015 0.382 3.92 8 63.5 57.4
144 1 4 2 36.249 72.499 0.384 3.87 8 8.9 1.1
145 2 3 6 36.306 72.611 0.384 3.86 8 36.1 18.2
146 0 3 10 36.326 72.652 0.385 3.85 4 3.1 0.1
147 3 1 7 36.526 73.051 0.386 3.81 8 27.4 10.4
148 3 2 4 36.629 73.258 0.387 3.79 8 59.3 48.4
149 1 2 12 36.669 73.338 0.388 3.78 8 62.4 53.5
150 1 4 3 36.77 73.539 0.389 3.76 8 27.3 10.2
151 0 4 5 36.775 73.55 0.389 3.76 4 5.1 0.2
152 0 1 14 36.882 73.765 0.39 3.74 4 0.9 0.0
153 3 0 8 36.907 73.813 0.39 3.74 4 39.6 10.6
154 2 0 12 36.932 73.864 0.39 3.73 4 49.5 16.6
155 2 2 10 37.069 74.138 0.391 3.71 8 47.1 29.9
156 1 0 14 37.36 74.721 0.394 3.65 4 6.3 0.3
157 1 4 4 37.494 74.987 0.395 3.63 8 35.6 16.7
158 3 2 5 37.56 75.12 0.396 3.62 8 5.0 0.3
159 0 2 13 37.605 75.21 0.396 3.61 4 3.9 0.1
160 2 3 7 37.652 75.305 0.397 3.6 8 23.4 7.2
161 0 4 6 37.91 75.82 0.399 3.56 4 26.5 4.5
162 1 3 10 37.975 75.951 0.399 3.55 8 26.4 9.0
163 3 1 8 38.075 76.149 0.4 3.53 8 50.2 32.4
164 2 1 12 38.099 76.199 0.401 3.53 8 1.0 0.0
165 1 4 5 38.417 76.835 0.403 3.48 8 2.9 0.1
166 0 3 11 38.492 76.985 0.404 3.47 4 28.7 5.2
167 1 1 14 38.524 77.047 0.404 3.46 8 47.6 28.4
168 3 2 6 38.687 77.375 0.406 3.44 8 56.7 40.1
169 2 3 8 39.186 78.372 0.41 3.36 8 31.3 12.0
170 2 2 11 39.221 78.442 0.41 3.36 8 14.0 2.4
171 1 2 13 39.236 78.472 0.411 3.36 8 29.5 10.6
172 0 4 7 39.238 78.475 0.411 3.36 4 8.5 0.4
173 1 4 6 39.537 79.074 0.413 3.31 8 38.4 17.8
174 3 1 9 39.806 79.611 0.416 3.28 8 52.5 32.8
175 0 1 15 39.85 79.7 0.416 3.27 4 76.3 34.6
176 3 2 7 40.007 80.014 0.417 3.25 8 15.8 3.0
177 1 3 11 40.112 80.225 0.418 3.24 8 13.0 2.0
178 0 2 14 40.354 80.708 0.42 3.21 4 5.7 0.2
179 3 0 10 40.58 81.16 0.422 3.18 4 51.0 15.0
180 2 1 13 40.638 81.275 0.423 3.18 8 27.2 8.6
181 2 4 0 40.735 81.469 0.424 3.17 4 90.0 46.5
182 0 4 8 40.754 81.508 0.424 3.17 4 97.9 55.1
183 3 3 0 40.779 81.558 0.424 3.16 4 22.5 2.9
184 0 3 12 40.823 81.646 0.424 3.16 4 4.1 0.1
185 2 4 1 40.835 81.67 0.424 3.16 8 16.4 3.1
186 1 4 7 40.85 81.7 0.425 3.15 8 5.7 0.4
187 3 3 1 40.88 81.759 0.425 3.15 8 50.1 28.7
188 2 3 9 40.904 81.808 0.425 3.15 8 19.9 4.5
189 2 4 2 41.137 82.273 0.427 3.12 8 51.8 30.4
190 3 3 2 41.181 82.362 0.427 3.12 8 9.2 1.0
191 1 1 15 41.456 82.913 0.43 3.09 8 57.7 37.4
192 3 2 8 41.517 83.034 0.43 3.08 8 41.6 19.4
193 2 2 12 41.541 83.083 0.43 3.08 8 36.0 14.5
194 2 4 3 41.638 83.277 0.431 3.07 8 14.2 2.2
195 3 3 3 41.683 83.366 0.432 3.07 8 52.0 30.1
196 3 1 10 41.718 83.437 0.432 3.06 8 6.4 0.5
197 4 0 0 41.751 83.503 0.432 3.06 2 103.1 29.6
198 0 0 16 41.829 83.658 0.433 3.05 2 52.1 7.5
199 1 2 14 41.957 83.913 0.434 3.04 8 6.2 0.4
200 4 0 2 42.152 84.304 0.436 3.02 4 45.5 11.4
201 2 0 14 42.21 84.42 0.436 3.02 4 38.0 7.9
202 2 4 4 42.339 84.678 0.437 3.01 8 64.2 45.0
203 1 4 8 42.354 84.707 0.437 3.01 8 17.3 3.3
204 3 3 4 42.383 84.767 0.438 3.0 8 20.5 4.6
205 1 3 12 42.422 84.844 0.438 3.0 8 52.1 29.6
206 0 4 9 42.458 84.917 0.438 3.0 4 7.0 0.3
207 2 3 10 42.807 85.614 0.441 2.97 8 11.6 1.4
208 4 1 0 42.884 85.769 0.442 2.96 4 27.6 4.1
209 0 1 16 42.962 85.923 0.442 2.96 4 6.9 0.3
210 4 1 1 42.984 85.968 0.443 2.96 8 10.5 1.2
211 3 2 9 43.217 86.433 0.444 2.94 8 10.8 1.2
212 2 4 5 43.238 86.476 0.445 2.94 8 16.2 2.8
213 0 2 15 43.26 86.52 0.445 2.93 4 0.6 0.0
214 3 3 5 43.282 86.564 0.445 2.93 8 53.9 30.9
215 4 1 2 43.283 86.567 0.445 2.93 8 19.4 4.0
216 0 3 13 43.325 86.651 0.445 2.93 4 22.4 2.7
217 2 1 14 43.341 86.683 0.446 2.93 8 3.5 0.1
218 4 0 4 43.35 86.7 0.446 2.93 4 26.5 3.7
219 1 0 16 43.423 86.845 0.446 2.92 4 34.4 6.3
220 4 1 3 43.782 87.564 0.449 2.9 8 15.1 2.4
221 3 1 11 43.816 87.631 0.449 2.9 8 9.0 0.8
222 2 2 13 44.038 88.076 0.451 2.88 8 4.5 0.2
223 1 4 9 44.05 88.099 0.451 2.88 8 21.8 5.0
224 2 4 6 44.334 88.668 0.454 2.86 8 31.6 10.4
225 0 4 10 44.353 88.706 0.454 2.86 4 28.9 4.3
226 3 3 6 44.378 88.756 0.454 2.86 8 31.0 10.0
227 4 1 4 44.479 88.958 0.455 2.86 8 34.5 12.4
228 0 5 0 44.55 89.1 0.455 2.85 2 6.3 0.1
229 1 1 16 44.551 89.102 0.455 2.85 8 27.5 7.9
230 0 5 1 44.649 89.299 0.456 2.85 4 10.6 0.6
231 1 2 15 44.849 89.698 0.458 2.84 8 30.6 9.7
232 2 3 11 44.9 89.799 0.458 2.83 8 22.3 5.1
233 1 3 13 44.914 89.828 0.458 2.83 8 39.3 15.9
234 0 5 2 44.948 89.896 0.459 2.83 4 4.7 0.1
235 3 0 12 44.978 89.955 0.459 2.83 4 39.6 8.1
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 0 2 4.782 9.564 9.24 7.4 1.0 1.0 5.6
2 0 1 1 8.416 16.833 5.26268 157.8 22.0 22.1 5.6
3 1 0 0 9.583 19.166 4.627 218.9 30.5 30.6 5.6
4 1 0 2 10.73 21.46 4.13726 70.9 9.9 9.9 5.6
5 1 1 0 12.575 25.15 3.53802 303.6 42.2 42.3 5.6
6 1 1 1 12.807 25.614 3.47491 718.7 100.0 100.0 5.6
7 1 1 2 13.481 26.963 3.30409 441.7 61.5 61.4 5.6
8 1 0 4 13.628 27.255 3.26931 277.3 38.6 38.5 5.6
9 0 0 6 14.483 28.966 3.08 146.4 20.4 20.3 5.6
10 1 1 3 14.541 29.082 3.06799 680.5 94.7 94.4 5.6
11 1 1 4 15.916 31.831 2.80897 272.4 37.9 37.7 5.6
12 0 2 0 16.297 32.593 2.745 36.9 5.1 5.1 5.6
13 0 2 2 17.022 34.043 2.63134 142.5 19.8 19.7 5.7
14 1 0 6 17.484 34.967 2.56391 225.4 31.4 31.1 5.7
15 1 1 5 17.541 35.082 2.55578 585.3 81.4 80.8 5.7
16 0 1 7 18.89 37.78 2.37921 45.7 6.4 6.3 5.7
17 0 2 4 19.051 38.102 2.35988 349.2 48.6 48.1 5.7
18 1 2 1 19.204 38.408 2.34178 120.6 16.8 16.6 5.7
19 1 1 6 19.365 38.729 2.32306 108.2 15.1 14.9 5.7
20 2 0 0 19.448 38.896 2.3135 21.4 3.0 2.9 5.7
21 0 0 8 19.479 38.957 2.31 77.8 10.8 10.7 5.7
22 1 2 3 20.452 40.904 2.20446 66.4 9.2 9.1 5.7
23 1 1 7 21.349 42.698 2.11587 54.6 7.6 7.5 5.7
24 2 0 4 21.861 43.723 2.06863 174.6 24.3 23.9 5.7
25 0 2 6 22.079 44.158 2.04925 78.3 10.9 10.7 5.7
26 2 1 3 22.478 44.956 2.01469 13.6 1.9 1.9 5.7
27 1 2 5 22.778 45.556 1.98957 19.7 2.7 2.7 5.7
28 1 1 8 23.468 46.936 1.93423 179.2 24.9 24.4 5.7
29 0 1 9 23.61 47.221 1.92322 24.6 3.4 3.4 5.7
30 2 1 5 24.652 49.304 1.84673 104.3 14.5 14.2 5.7
31 1 1 9 25.705 51.41 1.77592 123.8 17.2 16.8 5.8
32 2 2 0 25.813 51.625 1.76901 414.9 57.7 56.3 5.8
33 1 2 7 25.958 51.915 1.7598 27.0 3.8 3.7 5.8
34 2 1 6 26.067 52.133 1.75296 89.7 12.5 12.2 5.8
35 1 0 10 26.669 53.338 1.71618 26.2 3.6 3.5 5.8
36 1 3 0 26.913 53.827 1.70174 90.6 12.6 12.3 5.8
37 1 3 1 27.037 54.073 1.69457 45.1 6.3 6.1 5.8
38 1 3 2 27.404 54.807 1.67359 11.5 1.6 1.5 5.8
39 2 1 7 27.672 55.344 1.65864 201.5 28.0 27.2 5.8
40 1 2 8 27.809 55.618 1.65109 15.2 2.1 2.0 5.8
41 1 3 3 28.008 56.016 1.6403 73.0 10.2 9.8 5.8
42 1 1 10 28.051 56.101 1.63801 8.7 1.2 1.2 5.8
43 2 0 8 28.113 56.227 1.63465 44.6 6.2 6.0 5.8
44 1 3 4 28.841 57.681 1.59685 21.4 3.0 2.9 5.8
45 2 1 8 29.45 58.9 1.56668 51.0 7.1 6.9 5.8
46 1 3 5 29.889 59.777 1.54576 181.1 25.2 24.3 5.8
47 0 0 12 30.012 60.024 1.54 55.9 7.8 7.5 5.8
48 0 2 10 30.164 60.328 1.53297 148.8 20.7 19.9 5.8
49 0 3 7 30.808 61.615 1.504 77.3 10.8 10.3 5.8
50 1 3 6 31.14 62.281 1.48951 13.1 1.8 1.7 5.8
51 3 1 1 31.361 62.722 1.48008 39.2 5.5 5.2 5.8
52 1 0 12 31.814 63.627 1.46119 33.9 4.7 4.5 5.9
53 1 2 10 31.96 63.921 1.45519 40.4 5.6 5.4 5.9
54 2 0 10 32.24 64.481 1.4439 99.0 13.8 13.2 5.9
55 1 3 7 32.584 65.168 1.43033 17.6 2.4 2.3 5.9
56 3 1 4 33.017 66.035 1.41363 25.6 3.6 3.4 5.9
57 1 1 12 33.06 66.119 1.41204 35.5 4.9 4.7 5.9
58 2 2 8 33.26 66.521 1.40448 151.7 21.1 20.1 5.9
59 3 1 5 33.991 67.981 1.37782 114.3 15.9 15.1 5.9
60 0 4 0 34.14 68.281 1.3725 57.7 8.0 7.6 5.9
61 2 3 4 34.193 68.386 1.37064 15.1 2.1 2.0 5.9
62 0 3 9 34.321 68.642 1.36617 11.4 1.6 1.5 5.9
63 0 4 2 34.568 69.136 1.3576 9.4 1.3 1.2 5.9
64 3 2 0 34.95 69.9 1.34462 19.2 2.7 2.5 5.9
65 0 2 12 34.996 69.992 1.34307 24.6 3.4 3.2 5.9
66 3 2 1 35.056 70.112 1.34108 19.7 2.7 2.6 5.9
67 1 1 13 35.73 71.46 1.31905 38.6 5.4 5.1 5.9
68 1 4 0 35.831 71.662 1.31583 9.9 1.4 1.3 5.9
69 1 3 9 36.007 72.015 1.31025 57.4 8.0 7.5 5.9
70 2 3 6 36.306 72.611 1.30095 18.3 2.5 2.4 6.0
71 3 1 7 36.526 73.051 1.29419 10.4 1.4 1.4 6.0
72 3 2 4 36.629 73.258 1.29105 48.4 6.7 6.3 6.0
73 1 2 12 36.669 73.338 1.28984 53.5 7.4 7.0 6.0
74 1 4 3 36.77 73.539 1.2868 10.4 1.4 1.4 6.0
75 2 0 12 36.932 73.864 1.28195 27.2 3.8 3.6 6.0
76 2 2 10 37.069 74.138 1.27789 29.9 4.2 3.9 6.0
77 1 4 4 37.494 74.987 1.2655 16.7 2.3 2.2 6.0
78 1 3 10 37.975 75.951 1.25183 9.0 1.3 1.2 6.0
79 3 1 8 38.075 76.149 1.24906 32.4 4.5 4.2 6.0
80 1 1 14 38.524 77.047 1.23673 28.4 4.0 3.7 6.0
81 3 2 6 38.687 77.375 1.23231 40.1 5.6 5.2 6.0
82 2 3 8 39.186 78.372 1.21911 12.0 1.7 1.6 6.0
83 1 2 13 39.236 78.472 1.21781 13.4 1.9 1.7 6.0
84 1 4 6 39.537 79.074 1.21003 17.8 2.5 2.3 6.0
85 3 1 9 39.806 79.611 1.20321 32.8 4.6 4.2 6.0
86 0 1 15 39.85 79.7 1.2021 34.6 4.8 4.5 6.0
87 3 0 10 40.58 81.16 1.18412 15.0 2.1 1.9 6.1
88 2 1 13 40.638 81.275 1.18273 8.6 1.2 1.1 6.1
89 0 4 8 40.754 81.508 1.17994 104.6 14.5 13.5 6.1
90 3 3 1 40.88 81.759 1.17695 33.3 4.6 4.3 6.1
91 2 4 2 41.137 82.273 1.17089 30.4 4.2 3.9 6.1
92 1 1 15 41.456 82.913 1.16348 37.4 5.2 4.8 6.1
93 3 2 8 41.517 83.034 1.16209 33.9 4.7 4.3 6.1
94 3 3 3 41.683 83.366 1.1583 30.1 4.2 3.9 6.1
95 4 0 0 41.751 83.503 1.15675 29.6 4.1 3.8 6.1
96 0 0 16 41.829 83.658 1.155 7.5 1.0 1.0 6.1
97 4 0 2 42.152 84.304 1.14779 11.4 1.6 1.5 6.1
98 2 0 14 42.21 84.42 1.14651 7.9 1.1 1.0 6.1
99 2 4 4 42.339 84.678 1.14367 48.3 6.7 6.2 6.1
100 1 3 12 42.422 84.844 1.14185 29.6 4.1 3.8 6.1
101 3 3 5 43.282 86.564 1.12353 34.9 4.9 4.4 6.1
102 2 4 6 44.334 88.668 1.10223 14.7 2.0 1.9 6.2
103 3 3 6 44.378 88.756 1.10136 10.0 1.4 1.3 6.2
104 4 1 4 44.479 88.958 1.09938 12.4 1.7 1.6 6.2
105 1 1 16 44.551 89.102 1.09797 7.9 1.1 1.0 6.2
106 1 2 15 44.849 89.698 1.09222 9.7 1.3 1.2 6.2
107 1 3 13 44.914 89.828 1.09098 21.0 2.9 2.6 6.2
108 3 0 12 44.978 89.955 1.08977 8.1 1.1 1.0 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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