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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OFFRETITE
2, f-zeolites, DF, ZL
K(1.1)Ca(1.1)Mg(0.7)[Al(5.2)Si(12.8)O(36)].15.2H(2)O
Hexagonal P 6(-)m2 Z = 1
R =0.096
18 .5 .1993
Ref.Str.:
Gard J.A., Tait J.M. (1972)
* Acta Cryst., B 28, 825-834
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.291 alpha = 90.0
b = 13.291 beta = 90.0
c = 7.582 gamma = 120.0
Unit cell volume (cub. angs.) = 1159.92
Molar volume ( cub.cm/mol.) = 698.67
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.5 2.2 K = 1.00
2 0.6667 0.3333 0.377 3.3 Ca = 0.39, Ca = 0.0
3 0.0 0.0 0.13 4.0 Ca = 0.07, Ca = 0.0
4 0.3333 0.6667 0.0 1.8 Mg = 1.00
5 0.0027 0.2342 0.2085 0.88 Si = 1.00
6 0.093 0.4251 0.5 0.68 Si = 1.00
7 0.029 0.351 0.329 2.29 O = 1.00
8 0.101 0.202 0.257 2.2 O = 1.00
9 0.255 0.127 0.293 3.3 O = 1.00
10 0.012 0.267 0.0 1.5 O = 1.00
11 0.23 0.46 0.5 1.5 O = 1.00
12 0.075 0.537 0.5 2.0 O = 1.00
13 0.3333 0.6667 0.261 1.7 H(2)O = 0.9 , H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.5
2 2 0.6667 0.3333 0.377
3 3 0.0 0.0 0.13
4 4 0.3333 0.6667 0.0
5 5 0.0027 0.2342 0.2085
6 6 0.093 0.4251 0.5
7 7 0.029 0.351 0.329
8 8 0.101 0.202 0.257
9 9 0.255 0.127 0.293
10 10 0.012 0.267 0.0
11 11 0.23 0.46 0.5
12 12 0.075 0.537 0.5
13 13 0.3333 0.6667 0.261
14 5 0.7658 0.7685 0.2085
15 5 0.2315 0.9973 0.2085
16 6 0.5749 0.6679 0.5
17 6 0.3321 0.907 0.5
18 7 0.649 0.678 0.329
19 7 0.322 0.971 0.329
20 8 0.798 0.899 0.257
21 8 0.101 0.899 0.257
22 9 0.873 0.128 0.293
23 9 0.872 0.745 0.293
24 10 0.733 0.745 0.0
25 10 0.255 0.988 0.0
26 11 0.54 0.77 0.5
27 11 0.23 0.77 0.5
28 12 0.463 0.538 0.5
29 12 0.462 0.925 0.5
30 2 0.6667 0.3333 0.623
31 3 0.0 0.0 0.87
32 5 0.0027 0.2342 0.7915
33 7 0.029 0.351 0.671
34 8 0.101 0.202 0.743
35 9 0.255 0.127 0.707
36 13 0.3333 0.6667 0.739
37 5 0.7658 0.7685 0.7915
38 5 0.2315 0.9973 0.7915
39 7 0.649 0.678 0.671
40 7 0.322 0.971 0.671
41 8 0.798 0.899 0.743
42 8 0.101 0.899 0.743
43 9 0.873 0.128 0.707
44 9 0.872 0.745 0.707
45 5 0.0027 0.7685 0.2085
46 6 0.093 0.6679 0.5
47 7 0.029 0.678 0.329
48 10 0.012 0.745 0.0
49 5 0.7658 0.9973 0.2085
50 5 0.2315 0.2342 0.2085
51 6 0.5749 0.907 0.5
52 6 0.3321 0.4251 0.5
53 7 0.649 0.971 0.329
54 7 0.322 0.351 0.329
55 10 0.733 0.988 0.0
56 10 0.255 0.267 0.0
57 5 0.0027 0.7685 0.7915
58 7 0.029 0.678 0.671
59 5 0.7658 0.9973 0.7915
60 5 0.2315 0.2342 0.7915
61 7 0.649 0.971 0.671
62 7 0.322 0.351 0.671
X-ray density (g/cm cub.) = 1.74
MU (1/cm) = 71.75 Mass attenuation coefficient (cm**2/g) = 41.29
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.396 12
2.9666 8
3.3284 9
2.9666 8
2.9667 8
3.3283 9
3.3284 9
2.9666 8
3.3284 9
2.9666 8
2.9667 8
3.3283 9
3.3284 9
2 Ca ,Ca 3.048 0
3 Ca ,Ca 3.048 3
2.5166 8
2.5166 8
2.5167 8
4 Mg 2.688 2
1.9789 13
1.9789 13
5 Si 2.268 4
1.6805 7
1.6076 8
1.628 10
1.715 9
6 Si 2.268 4
1.5927 7
1.6389 11
1.6202 12
1.5927 7
7 O 3.432 6
2.6515 8
2.6959 10
2.6545 11
2.5797 12
2.6483 9
2.593 7
8 O 3.432 6
2.6515 7
2.7015 9
2.639 10
2.6915 9
2.6517 7
2.6391 10
9 O 3.432 7
2.7015 8
2.6483 7
2.6915 8
2.8894 10
3.1389 9
2.6609 7
2.8979 10
10 O 3.432 7
2.6959 7
2.639 8
2.8894 9
2.6959 7
2.639 8
2.8894 9
3.2298 10
11 O 3.432 8
2.6545 7
2.7202 12
2.9907 13
2.7303 12
2.6545 7
2.9907 13
2.6545 7
2.6545 7
12 O 3.432 6
2.5797 7
2.7202 11
2.7303 11
2.5797 7
2.5909 7
2.5909 7
13 H(2)O,H(2)O 3.6 6
2.9907 11
3.4818 12
2.9907 11
2.9897 11
3.4829 12
3.4818 12
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 1 0 0 3.837 7.674 0.043 443.6 6 120.8 2886.3
2 0 0 1 5.831 11.662 0.066 190.8 2 112.6 359.7
3 1 1 0 6.656 13.312 0.075 145.9 6 68.3 303.5
4 1 0 1 6.988 13.975 0.079 132.18 12 44.9 237.6
5 2 0 0 7.692 15.383 0.087 108.7 6 67.4 220.4
6 1 1 1 8.866 17.733 0.1 81.25 12 3.9 1.1
7 2 0 1 9.673 19.347 0.109 67.91 12 68.9 287.5
8 2 1 0 10.198 20.397 0.115 60.89 12 78.0 330.1
9 3 0 0 11.582 23.163 0.13 46.73 6 119.4 297.1
10 0 0 2 11.723 23.447 0.132 45.56 2 71.8 34.9
11 2 1 1 11.779 23.557 0.133 45.11 24 79.0 501.9
12 1 0 2 12.352 24.705 0.139 40.83 12 89.1 289.0
13 3 0 1 13.003 26.006 0.146 36.65 12 20.0 13.1
14 2 2 0 13.404 26.808 0.15 34.37 6 51.2 40.2
15 1 1 2 13.528 27.056 0.152 33.7 12 27.1 22.1
16 3 1 0 13.962 27.925 0.157 31.52 12 28.1 22.1
17 2 0 2 14.082 28.164 0.158 30.95 12 73.4 148.9
18 2 2 1 14.661 29.323 0.164 28.4 12 7.5 1.4
19 3 1 1 15.177 30.354 0.17 26.37 24 20.7 20.2
20 4 0 0 15.526 31.053 0.174 25.12 6 148.8 248.0
21 2 1 2 15.635 31.27 0.175 24.74 24 87.4 337.4
22 3 0 2 16.597 33.194 0.185 21.75 12 11.5 2.6
23 4 0 1 16.637 33.275 0.186 21.63 12 81.2 127.1
24 3 2 0 16.96 33.92 0.189 20.75 12 9.0 1.5
25 0 0 3 17.745 35.49 0.198 18.8 2 48.3 6.5
26 4 1 0 17.859 35.717 0.199 18.54 12 102.5 173.8
27 2 2 2 17.955 35.909 0.2 18.32 12 32.3 17.1
28 3 2 1 17.992 35.984 0.201 18.24 24 42.4 58.4
29 1 0 3 18.182 36.364 0.203 17.82 12 30.3 14.6
30 3 1 2 18.387 36.775 0.205 17.39 24 13.2 5.4
31 4 1 1 18.848 37.696 0.21 16.46 24 3.7 0.4
32 1 1 3 19.031 38.062 0.212 16.12 12 2.5 0.1
33 2 0 3 19.443 38.886 0.216 15.37 12 37.7 19.5
34 5 0 0 19.548 39.097 0.217 15.19 6 49.3 16.5
35 4 0 2 19.637 39.274 0.218 15.03 12 38.2 19.6
36 3 3 0 20.349 40.697 0.226 13.89 6 70.6 30.9
37 5 0 1 20.468 40.936 0.227 13.71 12 35.4 15.3
38 2 1 3 20.639 41.278 0.229 13.46 24 26.4 16.7
39 4 2 0 20.739 41.478 0.23 13.31 12 18.3 4.0
40 3 2 2 20.824 41.647 0.231 13.19 24 2.6 0.2
41 3 3 1 21.239 42.479 0.235 12.62 12 53.5 32.3
42 3 0 3 21.405 42.81 0.237 12.4 12 47.7 25.2
43 4 1 2 21.585 43.169 0.239 12.17 24 24.9 13.5
44 4 2 1 21.617 43.233 0.239 12.13 24 42.6 39.3
45 5 1 0 21.876 43.752 0.242 11.81 12 21.3 4.8
46 2 2 3 22.515 45.03 0.249 11.07 12 16.8 2.8
47 5 1 1 22.718 45.437 0.251 10.85 24 43.6 36.7
48 3 1 3 22.875 45.751 0.252 10.68 24 20.9 8.3
49 5 0 2 23.046 46.091 0.254 10.5 12 54.5 27.9
50 6 0 0 23.673 47.347 0.261 9.88 6 8.5 0.3
51 3 3 2 23.75 47.499 0.261 9.81 12 10.0 0.9
52 4 0 3 23.931 47.863 0.263 9.64 12 63.5 34.7
53 0 0 4 23.977 47.954 0.264 9.6 2 182.0 47.3
54 4 3 0 24.02 48.041 0.264 9.56 12 25.6 5.6
55 4 2 2 24.096 48.192 0.265 9.49 24 14.4 3.5
56 1 0 4 24.321 48.642 0.267 9.29 12 58.7 28.6
57 6 0 1 24.468 48.935 0.269 9.17 12 12.8 1.3
58 5 2 0 24.703 49.407 0.271 8.97 12 51.5 21.2
59 4 3 1 24.806 49.612 0.272 8.89 24 19.9 6.3
60 3 2 3 24.953 49.906 0.274 8.77 24 11.9 2.2
61 1 1 4 24.998 49.995 0.274 8.73 12 12.5 1.2
62 5 1 2 25.113 50.225 0.275 8.64 24 19.8 6.1
63 2 0 4 25.331 50.662 0.278 8.47 12 10.9 0.9
64 5 2 1 25.473 50.947 0.279 8.37 24 12.3 2.3
65 4 1 3 25.618 51.235 0.281 8.26 24 68.6 69.4
66 6 1 0 26.029 52.058 0.285 7.96 12 39.0 10.8
67 2 1 4 26.313 52.625 0.288 7.77 24 18.3 4.6
68 6 0 2 26.744 53.488 0.292 7.49 12 10.5 0.7
69 6 1 1 26.772 53.543 0.292 7.47 24 46.1 28.3
70 5 0 3 26.911 53.822 0.294 7.38 12 66.2 28.8
71 3 0 4 26.953 53.906 0.294 7.36 12 11.0 0.8
72 4 3 2 27.062 54.124 0.295 7.29 24 6.2 0.5
73 3 3 3 27.542 55.083 0.3 7.0 12 77.2 37.3
74 4 4 0 27.622 55.244 0.301 6.96 6 164.6 84.0
75 5 2 2 27.69 55.381 0.302 6.92 24 32.7 13.2
76 4 2 3 27.853 55.707 0.303 6.83 24 11.8 1.7
77 2 2 4 27.895 55.789 0.304 6.8 12 16.0 1.5
78 5 3 0 27.933 55.867 0.304 6.78 12 27.1 4.4
79 7 0 0 27.933 55.867 0.304 6.78 6 27.0 2.2
80 3 1 4 28.204 56.407 0.307 6.64 24 15.1 2.7
81 4 4 1 28.336 56.672 0.308 6.57 12 8.8 0.5
82 5 3 1 28.642 57.284 0.311 6.41 24 7.8 0.7
83 7 0 1 28.642 57.284 0.311 6.41 12 10.5 0.6
84 5 1 3 28.775 57.55 0.312 6.34 24 31.4 11.1
85 6 2 0 28.854 57.707 0.313 6.3 12 60.7 20.7
86 6 1 2 28.92 57.84 0.314 6.27 24 75.5 63.8
87 4 0 4 29.118 58.237 0.316 6.17 12 76.9 32.5
88 6 2 1 29.548 59.096 0.32 5.97 24 46.7 23.2
89 3 2 4 30.015 60.03 0.325 5.77 24 18.9 3.7
90 6 0 3 30.271 60.543 0.327 5.66 12 50.6 12.9
91 7 1 0 30.347 60.695 0.328 5.63 12 41.5 8.6
92 4 4 2 30.412 60.823 0.329 5.6 12 7.5 0.3
93 0 0 5 30.528 61.057 0.33 5.55 2 0.3 0.0
94 4 3 3 30.565 61.13 0.33 5.54 24 6.2 0.4
95 4 1 4 30.604 61.208 0.33 5.52 24 61.9 37.8
96 5 3 2 30.705 61.409 0.331 5.48 24 13.8 1.9
97 7 0 2 30.705 61.409 0.331 5.48 12 26.0 3.3
98 1 0 5 30.821 61.642 0.333 5.44 12 38.7 7.3
99 7 1 1 31.021 62.042 0.335 5.36 24 8.5 0.7
100 5 2 3 31.148 62.296 0.336 5.31 24 26.9 6.8
101 1 1 5 31.401 62.802 0.338 5.22 12 2.9 0.0
102 5 4 0 31.511 63.023 0.339 5.18 12 68.7 21.8
103 6 2 2 31.574 63.149 0.34 5.15 24 44.5 18.2
104 2 0 5 31.689 63.377 0.341 5.11 12 51.4 12.1
105 5 0 4 31.763 63.525 0.342 5.09 12 25.6 3.0
106 6 3 0 32.084 64.169 0.345 4.98 12 4.0 0.1
107 5 4 1 32.171 64.342 0.346 4.95 24 17.7 2.8
108 6 1 3 32.295 64.591 0.347 4.91 24 32.0 9.0
109 3 3 4 32.333 64.666 0.347 4.89 12 7.5 0.2
110 8 0 0 32.369 64.737 0.348 4.88 6 77.7 13.1
111 2 1 5 32.543 65.087 0.349 4.83 24 62.2 33.3
112 4 2 4 32.616 65.233 0.35 4.8 24 14.0 1.7
113 6 3 1 32.738 65.476 0.351 4.77 24 12.5 1.3
114 7 1 2 32.995 65.99 0.353 4.69 24 28.6 6.8
115 8 0 1 33.019 66.038 0.354 4.68 12 53.3 11.8
116 3 0 5 33.107 66.213 0.355 4.65 12 13.6 0.8
117 7 2 0 33.214 66.428 0.356 4.62 12 29.2 3.5
118 5 1 4 33.459 66.917 0.358 4.55 24 5.7 0.3
119 4 4 3 33.7 67.4 0.36 4.48 12 84.9 28.8
120 7 2 1 33.856 67.712 0.362 4.44 24 37.2 11.0
121 2 2 5 33.943 67.885 0.362 4.41 12 17.5 1.2
122 5 3 3 33.977 67.955 0.363 4.4 24 35.1 9.7
123 7 0 3 33.977 67.955 0.363 4.4 12 16.5 1.1
124 5 4 2 34.109 68.218 0.364 4.37 24 65.6 33.5
125 3 1 5 34.219 68.438 0.365 4.34 24 25.0 4.9
126 6 3 2 34.66 69.32 0.369 4.23 24 9.6 0.7
127 6 2 3 34.803 69.606 0.37 4.19 24 5.8 0.3
128 6 0 4 34.84 69.679 0.371 4.18 12 36.4 4.9
129 8 1 0 34.874 69.748 0.371 4.18 12 49.3 9.0
130 8 0 2 34.934 69.867 0.372 4.16 12 78.7 23.0
131 4 0 5 35.042 70.085 0.373 4.13 12 107.1 42.3
132 4 3 4 35.113 70.225 0.373 4.12 24 19.1 2.7
133 5 5 0 35.419 70.838 0.376 4.05 6 29.8 1.6
134 8 1 1 35.502 71.003 0.377 4.03 24 18.0 2.3
135 5 2 4 35.656 71.312 0.378 3.99 24 20.2 2.9
136 6 4 0 35.69 71.38 0.379 3.99 12 27.9 2.8
137 7 2 2 35.749 71.499 0.379 3.97 24 30.3 6.5
138 3 2 5 35.857 71.714 0.38 3.95 24 50.9 18.2
139 5 5 1 36.043 72.085 0.382 3.91 12 8.2 0.2
140 7 1 3 36.161 72.321 0.383 3.89 24 9.1 0.6
141 6 4 1 36.312 72.624 0.384 3.85 24 14.6 1.5
142 4 1 5 36.396 72.792 0.385 3.84 24 31.9 7.0
143 7 3 0 36.499 72.997 0.386 3.82 12 42.3 6.1
144 6 1 4 36.733 73.466 0.388 3.77 24 7.6 0.4
145 9 0 0 37.034 74.068 0.391 3.71 6 148.2 36.4
146 7 3 1 37.115 74.23 0.392 3.7 24 37.5 9.3
147 5 4 3 37.232 74.463 0.393 3.68 24 41.9 11.5
148 8 1 2 37.358 74.717 0.394 3.65 24 54.0 19.0
149 5 0 5 37.464 74.929 0.395 3.64 12 60.7 11.9
150 0 0 6 37.558 75.115 0.396 3.62 2 89.8 4.3
151 9 0 1 37.647 75.294 0.396 3.6 12 30.0 2.9
152 6 3 3 37.763 75.526 0.398 3.58 24 25.2 4.1
153 1 0 6 37.823 75.646 0.398 3.57 12 23.9 1.8
154 8 2 0 37.831 75.663 0.398 3.57 12 29.4 2.8
155 5 5 2 37.889 75.778 0.399 3.56 12 11.3 0.4
156 3 3 5 37.994 75.989 0.4 3.54 12 55.4 9.7
157 8 0 3 38.028 76.055 0.4 3.54 12 51.7 8.5
158 4 4 4 38.063 76.125 0.4 3.53 12 101.0 32.2
159 6 4 2 38.154 76.307 0.401 3.52 24 16.9 1.8
160 4 2 5 38.259 76.517 0.402 3.5 24 48.3 14.6
161 5 3 4 38.327 76.653 0.403 3.49 24 33.7 7.1
162 7 0 4 38.327 76.653 0.403 3.49 12 2.0 0.0
163 1 1 6 38.351 76.703 0.403 3.49 12 23.7 1.8
164 8 2 1 38.44 76.88 0.404 3.47 24 5.8 0.2
165 2 0 6 38.615 77.229 0.405 3.45 12 17.0 0.9
166 7 2 3 38.818 77.636 0.407 3.42 24 19.9 2.4
167 7 3 2 38.943 77.887 0.408 3.4 24 81.3 40.1
168 5 1 5 39.048 78.095 0.409 3.38 24 25.9 4.1
169 6 2 4 39.115 78.231 0.41 3.37 24 15.1 1.4
170 2 1 6 39.402 78.803 0.412 3.33 24 26.6 4.2
171 9 0 2 39.467 78.934 0.413 3.32 12 37.5 4.2
172 6 5 0 39.671 79.343 0.414 3.3 12 19.5 1.1
173 9 1 0 39.671 79.343 0.414 3.3 12 16.2 0.8
174 3 0 6 39.924 79.848 0.417 3.26 12 43.9 5.6
175 7 4 0 40.193 80.385 0.419 3.23 12 12.1 0.4
176 8 2 2 40.25 80.499 0.419 3.22 24 21.3 2.6
177 6 5 1 40.272 80.544 0.42 3.22 24 33.5 6.4
178 9 1 1 40.272 80.544 0.42 3.22 24 10.6 0.6
179 6 0 5 40.353 80.706 0.42 3.21 12 10.3 0.3
180 8 1 3 40.386 80.771 0.421 3.21 24 30.0 5.2
181 7 1 4 40.42 80.84 0.421 3.2 24 26.2 3.9
182 4 3 5 40.613 81.226 0.423 3.18 24 13.9 1.1
183 2 2 6 40.704 81.408 0.423 3.17 12 16.4 0.8
184 7 4 1 40.791 81.583 0.424 3.16 24 7.5 0.3
185 5 5 3 40.905 81.81 0.425 3.15 12 14.6 0.6
186 3 1 6 40.963 81.927 0.426 3.14 24 21.5 2.6
187 5 2 5 41.131 82.263 0.427 3.12 24 9.0 0.5
188 6 4 3 41.164 82.328 0.427 3.12 24 24.2 3.3
189 8 3 0 41.231 82.461 0.428 3.11 12 28.2 2.2
190 5 4 4 41.457 82.914 0.43 3.09 24 40.7 9.1
191 4 0 6 41.74 83.479 0.432 3.06 12 33.0 3.0
192 8 3 1 41.826 83.653 0.433 3.05 24 19.7 2.1
193 7 3 3 41.939 83.879 0.434 3.04 24 37.2 7.5
194 6 3 4 41.974 83.947 0.434 3.04 24 22.0 2.6
195 10 0 0 42.006 84.012 0.434 3.04 6 16.5 0.4
196 6 5 2 42.062 84.125 0.435 3.03 24 34.0 6.2
197 9 1 2 42.062 84.125 0.435 3.03 24 15.6 1.3
198 6 1 5 42.165 84.33 0.436 3.02 24 54.4 16.0
199 8 0 4 42.231 84.463 0.436 3.02 12 61.0 10.0
200 9 0 3 42.455 84.91 0.438 3.0 12 63.5 10.8
201 3 2 6 42.513 85.026 0.439 2.99 24 11.6 0.7
202 7 4 2 42.578 85.155 0.439 2.99 24 36.5 7.1
203 10 0 1 42.6 85.2 0.439 2.99 12 14.2 0.5
204 9 2 0 42.779 85.558 0.441 2.97 12 29.3 2.3
205 7 2 4 43.004 86.008 0.443 2.95 24 13.7 1.0
206 4 1 6 43.028 86.056 0.443 2.95 24 17.8 1.7
207 8 2 3 43.227 86.454 0.445 2.94 24 21.1 2.3
208 9 2 1 43.372 86.743 0.446 2.93 24 27.6 4.0
209 4 4 5 43.452 86.904 0.446 2.92 12 35.6 3.3
210 8 3 2 43.606 87.213 0.448 2.91 24 31.6 5.2
211 5 3 5 43.709 87.417 0.449 2.9 24 22.2 2.5
212 7 0 5 43.709 87.417 0.449 2.9 12 6.7 0.1
213 5 0 6 44.056 88.111 0.451 2.88 12 2.5 0.0
214 6 6 0 44.064 88.128 0.451 2.88 6 11.8 0.2
215 7 5 0 44.321 88.641 0.454 2.86 12 17.3 0.8
216 10 0 2 44.377 88.753 0.454 2.86 12 7.5 0.1
217 6 2 5 44.479 88.958 0.455 2.86 24 45.4 10.5
218 8 1 4 44.545 89.09 0.455 2.85 24 32.2 5.3
219 3 3 6 44.569 89.138 0.456 2.85 12 4.9 0.1
220 6 6 1 44.655 89.311 0.456 2.85 12 9.2 0.2
221 4 2 6 44.826 89.651 0.458 2.84 24 3.5 0.1
222 10 1 0 44.834 89.668 0.458 2.84 12 26.5 1.8
223 7 5 1 44.912 89.824 0.458 2.83 24 4.0 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 1 0 0 3.837 7.674 11.51034 2886.3 100.0 100.0 5.6
2 0 0 1 5.831 11.662 7.582 359.7 12.5 12.4 5.6
3 1 1 0 6.656 13.312 6.6455 303.5 10.5 10.5 5.6
4 1 0 1 6.988 13.975 6.33176 237.6 8.2 8.2 5.6
5 2 0 0 7.692 15.383 5.75517 220.4 7.6 7.6 5.6
6 2 0 1 9.673 19.347 4.58413 287.5 10.0 9.9 5.6
7 2 1 0 10.198 20.397 4.3505 330.1 11.4 11.4 5.6
8 3 0 0 11.582 23.163 3.83678 297.1 10.3 10.2 5.6
9 0 0 2 11.723 23.447 3.791 34.9 1.2 1.2 5.6
10 2 1 1 11.779 23.557 3.77344 501.9 17.4 17.2 5.6
11 1 0 2 12.352 24.705 3.60073 289.0 10.0 9.9 5.6
12 2 2 0 13.404 26.808 3.32275 40.2 1.4 1.4 5.6
13 2 0 2 14.082 28.164 3.16588 148.9 5.2 5.1 5.6
14 4 0 0 15.526 31.053 2.87759 248.0 8.6 8.5 5.6
15 2 1 2 15.635 31.27 2.85812 337.4 11.7 11.5 5.6
16 4 0 1 16.637 33.275 2.69034 127.1 4.4 4.3 5.6
17 4 1 0 17.859 35.717 2.51176 173.8 6.0 5.9 5.7
18 3 2 1 17.992 35.984 2.49374 58.4 2.0 2.0 5.7
19 3 3 0 20.349 40.697 2.21517 30.9 1.1 1.0 5.7
20 3 3 1 21.239 42.479 2.12628 32.3 1.1 1.1 5.7
21 4 2 1 21.617 43.233 2.0909 39.3 1.4 1.3 5.7
22 5 1 1 22.718 45.437 1.99451 36.7 1.3 1.2 5.7
23 4 0 3 23.931 47.863 1.89892 34.7 1.2 1.2 5.7
24 0 0 4 23.977 47.954 1.8955 47.3 1.6 1.6 5.7
25 4 1 3 25.618 51.235 1.78156 69.4 2.4 2.3 5.8
26 3 3 3 27.542 55.083 1.66586 37.3 1.3 1.2 5.8
27 4 4 0 27.622 55.244 1.66137 84.0 2.9 2.8 5.8
28 6 1 2 28.92 57.84 1.59285 63.8 2.2 2.1 5.8
29 4 0 4 29.118 58.237 1.58294 32.5 1.1 1.1 5.8
30 4 1 4 30.604 61.208 1.51302 37.8 1.3 1.2 5.8
31 2 1 5 32.543 65.087 1.43191 33.3 1.2 1.1 5.9
32 5 4 2 34.109 68.218 1.37361 33.5 1.2 1.1 5.9
33 4 0 5 35.042 70.085 1.34153 42.3 1.5 1.4 5.9
34 9 0 0 37.034 74.068 1.27893 36.4 1.3 1.2 6.0
35 4 4 4 38.063 76.125 1.24939 32.2 1.1 1.0 6.0
36 7 3 2 38.943 77.887 1.22549 40.1 1.4 1.3 6.0
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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