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
1, f-zeolites, DF, ZL
K(1.04)Ca(1.04)Mg(0.95)Al(5.2)Si(12.8)O(36).CO
Hexagonal P 6(-)m2 Z = 1
R =0.042
28 .5 .1990
Ref.Str.:
Mortier W.J., Pluth J.J., Smith J.V. (1976)
* Z. Kristallogr., Bd.144, 32-41
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.261 alpha = 90.0
b = 13.261 beta = 90.0
c = 7.347 gamma = 120.0
Unit cell volume (cub. angs.) = 1118.9
Molar volume ( cub.cm/mol.) = 673.96
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0004 0.2275 0.2179 0.0 Si = 0.67, Al = 0.33
2 0.0975 0.4285 0.5 0.0 Si = 0.6 , Al = 0.3
3 0.0439 0.3526 0.3176 0.0 O = 0.9 , O = 0.0
4 0.0889 0.9111 0.2785 0.0 O = 1.00
5 0.8717 0.1283 0.2892 0.0 O = 1.00
6 0.0036 0.2477 0.0 0.0 O = 1.00
7 0.2445 0.7555 0.5 0.0 O = 0.9 , O = 0.0
8 0.46 0.54 0.5 0.0 O = 0.9 , O = 0.0
9 0.0 0.0 0.5 0.0 Ca = 1.00
10 0.4915 0.5085 0.0 0.0 K = 0.33, K = 0.0
11 0.3333 0.6667 0.552 0.0 Mg = 0.44, Mg = 0.0
12 0.3333 0.6667 0.154 9.7 C = 0.44, C = 0.0
13 0.3333 0.6667 0.0 28.1 O = 0.88, O = 0.0
14 0.429 0.325 0.5 4.6 Si = 0.56, Al = 0.24
15 0.556 0.444 0.5 4.8 O = 0.09, O = 0.0
16 0.766 0.234 0.5 3.1 O = 0.09, O = 0.0
17 0.338 0.31 0.33 3.7 O = 0.09, O = 0.0
18 0.6667 0.3333 0.5 8.1 Mg = 0.09, Mg = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0004 0.2275 0.2179
2 2 0.0975 0.4285 0.5
3 3 0.0439 0.3526 0.3176
4 4 0.0889 0.9111 0.2785
5 5 0.8717 0.1283 0.2892
6 6 0.0036 0.2477 0.0
7 7 0.2445 0.7555 0.5
8 8 0.46 0.54 0.5
9 9 0.0 0.0 0.5
10 10 0.4915 0.5085 0.0
11 11 0.3333 0.6667 0.552
12 12 0.3333 0.6667 0.154
13 13 0.3333 0.6667 0.0
14 14 0.429 0.325 0.5
15 15 0.556 0.444 0.5
16 16 0.766 0.234 0.5
17 17 0.338 0.31 0.33
18 18 0.6667 0.3333 0.5
19 1 0.7725 0.7729 0.2179
20 1 0.2271 0.9996 0.2179
21 2 0.5715 0.669 0.5
22 2 0.331 0.9025 0.5
23 3 0.6474 0.6913 0.3176
24 3 0.3087 0.9561 0.3176
25 4 0.0889 0.1778 0.2785
26 4 0.8222 0.9111 0.2785
27 5 0.8717 0.7434 0.2892
28 5 0.2566 0.1283 0.2892
29 6 0.7523 0.7559 0.0
30 6 0.2441 0.9964 0.0
31 7 0.2445 0.489 0.5
32 7 0.511 0.7555 0.5
33 8 0.46 0.92 0.5
34 8 0.08 0.54 0.5
35 10 0.4915 0.983 0.0
36 10 0.017 0.5085 0.0
37 14 0.675 0.104 0.5
38 14 0.896 0.571 0.5
39 15 0.556 0.112 0.5
40 15 0.888 0.444 0.5
41 16 0.766 0.532 0.5
42 16 0.468 0.234 0.5
43 17 0.69 0.028 0.33
44 17 0.972 0.662 0.33
45 1 0.0004 0.2275 0.7821
46 3 0.0439 0.3526 0.6824
47 4 0.0889 0.9111 0.7215
48 5 0.8717 0.1283 0.7108
49 11 0.3333 0.6667 0.448
50 12 0.3333 0.6667 0.846
51 17 0.338 0.31 0.67
52 1 0.7725 0.7729 0.7821
53 1 0.2271 0.9996 0.7821
54 3 0.6474 0.6913 0.6824
55 3 0.3087 0.9561 0.6824
56 4 0.0889 0.1778 0.7215
57 4 0.8222 0.9111 0.7215
58 5 0.8717 0.7434 0.7108
59 5 0.2566 0.1283 0.7108
60 17 0.69 0.028 0.67
61 17 0.972 0.662 0.67
62 1 0.0004 0.7729 0.2179
63 2 0.0975 0.669 0.5
64 3 0.0439 0.6913 0.3176
65 6 0.0036 0.7559 0.0
66 14 0.429 0.104 0.5
67 17 0.338 0.028 0.33
68 1 0.7725 0.9996 0.2179
69 1 0.2271 0.2275 0.2179
70 2 0.5715 0.9025 0.5
71 2 0.331 0.4285 0.5
72 3 0.6474 0.9561 0.3176
73 3 0.3087 0.3526 0.3176
74 6 0.7523 0.9964 0.0
75 6 0.2441 0.2477 0.0
76 14 0.675 0.571 0.5
77 14 0.896 0.325 0.5
78 17 0.69 0.662 0.33
79 17 0.972 0.31 0.33
80 1 0.0004 0.7729 0.7821
81 3 0.0439 0.6913 0.6824
82 17 0.338 0.028 0.67
83 1 0.7725 0.9996 0.7821
84 1 0.2271 0.2275 0.7821
85 3 0.6474 0.9561 0.6824
86 3 0.3087 0.3526 0.6824
87 17 0.69 0.662 0.67
88 17 0.972 0.31 0.67
X-ray density (g/cm cub.) = 1.95
MU (1/cm) = 81.164 Mass attenuation coefficient (cm**2/g) = 41.585
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.316 5
1.6323 3
1.6348 5
1.6202 6
1.6685 4
1.5586 17
2 Si ,Al 2.316 6
1.6121 3
1.697 7
1.6072 8
1.6121 3
2.0453 17
2.0453 17
3 O ,O 3.264 9
2.7043 5
2.631 6
2.6825 4
2.7078 7
2.6478 8
3.1692 15
2.6802 3
0.8353 17
2.719 17
4 O 3.264 9
2.6825 3
2.6158 5
2.6158 5
2.7156 6
2.8875 17
3.2547 4
2.6824 3
2.7155 6
2.8875 17
5 O 3.264 10
2.7043 3
2.704 6
2.8797 16
2.6158 4
2.6158 4
2.1119 17
3.0975 5
2.7042 3
2.7039 6
2.112 17
6 O 3.264 9
2.631 3
2.704 5
2.7156 4
2.631 3
2.704 5
2.7156 4
3.1893 6
2.6613 17
2.6613 17
7 O ,O 3.264 6
2.7078 3
2.5867 8
2.5867 8
2.7078 3
2.7078 3
2.7078 3
8 O ,O 3.264 11
2.205 15
2.9233 17
2.6478 3
2.5867 7
2.5867 7
2.9233 17
2.6478 3
2.6477 3
2.9233 17
2.6477 3
2.9233 17
9 Ca 2.88 6
2.6111 4
2.611 4
2.611 4
2.6111 4
2.611 4
2.611 4
10 K ,K 3.228 0
11 Mg ,Mg 2.52 3
2.0758 7
2.076 7
2.076 7
12 C ,C 1.872 1
1.1314 13
13 O ,O 3.264 0
14 Si ,Al 2.316 6
1.6337 15
1.678 17
1.5324 16
1.678 17
2.2491 3
2.2491 3
15 O ,O 3.264 11
2.205 8
2.8174 17
3.1692 3
2.4222 16
2.4222 16
2.8174 17
3.1692 3
3.1693 3
2.8175 17
3.1693 3
2.8175 17
16 O ,O 3.264 8
2.8797 5
2.4222 15
2.4222 15
2.6992 17
2.8797 5
2.6992 17
2.6992 17
2.6992 17
17 O ,O 3.264 9
2.9233 8
2.8174 15
2.8875 4
2.1119 5
2.6992 16
2.498 17
0.8354 3
2.6613 6
2.719 3
18 Mg ,Mg 2.52 3
2.2815 16
2.2815 16
2.2815 16
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 3.846 7.692 0.044 441.59 6 111.8 2643.2
2 0 0 1 6.018 12.036 0.068 178.98 2 159.4 726.9
3 1 1 0 6.671 13.342 0.075 145.23 6 84.9 502.2
4 1 0 1 7.15 14.299 0.081 126.15 12 39.8 191.1
5 2 0 0 7.709 15.418 0.087 108.19 6 29.1 43.9
6 1 1 1 9.003 18.006 0.102 78.74 12 0.3 0.0
7 2 0 1 9.803 19.605 0.111 66.08 12 40.7 104.8
8 2 1 0 10.222 20.443 0.115 60.6 12 61.2 217.3
9 3 0 0 11.608 23.216 0.131 46.51 6 79.5 140.9
10 2 1 1 11.895 23.789 0.134 44.2 24 70.5 420.8
11 0 0 2 12.104 24.208 0.136 42.61 2 16.2 1.8
12 1 0 2 12.718 25.436 0.143 38.4 12 109.7 443.3
13 3 0 1 13.114 26.228 0.147 35.99 12 32.4 36.1
14 2 2 0 13.435 26.87 0.151 34.2 6 74.2 90.3
15 1 1 2 13.87 27.74 0.156 31.97 12 28.5 24.8
16 3 1 0 13.995 27.989 0.157 31.36 12 19.7 11.7
17 2 0 2 14.414 28.828 0.162 29.45 12 81.3 186.6
18 2 2 1 14.768 29.536 0.165 27.96 12 17.0 7.7
19 3 1 1 15.283 30.565 0.171 25.98 24 14.6 10.6
20 4 0 0 15.562 31.125 0.174 24.99 6 134.8 217.6
21 2 1 2 15.944 31.888 0.178 23.72 24 79.0 284.1
22 4 0 1 16.741 33.482 0.187 21.34 12 95.6 186.9
23 3 0 2 16.895 33.789 0.189 20.92 12 12.7 3.3
24 3 2 0 16.999 33.999 0.19 20.64 12 9.8 1.9
25 4 1 0 17.9 35.801 0.2 18.44 12 109.2 210.8
26 3 2 1 18.095 36.19 0.202 18.01 24 44.4 67.9
27 2 2 2 18.238 36.477 0.203 17.7 12 46.8 37.1
28 0 0 3 18.332 36.665 0.204 17.5 2 59.2 9.8
29 3 1 2 18.668 37.335 0.208 16.82 24 7.2 1.6
30 1 0 3 18.76 37.519 0.209 16.63 12 22.6 8.2
31 4 1 1 18.951 37.901 0.211 16.27 24 27.5 23.6
32 1 1 3 19.591 39.181 0.218 15.11 12 25.8 9.7
33 5 0 0 19.594 39.189 0.218 15.11 6 85.3 52.6
34 4 0 2 19.908 39.816 0.221 14.58 12 44.5 27.7
35 2 0 3 19.995 39.99 0.222 14.44 12 17.0 4.0
36 3 3 0 20.397 40.793 0.226 13.82 6 8.8 0.5
37 5 0 1 20.571 41.142 0.228 13.56 12 68.0 60.0
38 4 2 0 20.788 41.576 0.23 13.24 12 26.8 9.1
39 3 2 2 21.087 42.174 0.234 12.83 24 22.5 12.5
40 2 1 3 21.17 42.34 0.234 12.71 24 27.9 19.0
41 3 3 1 21.343 42.685 0.236 12.49 12 48.6 28.3
42 4 2 1 21.72 43.44 0.24 12.0 24 34.5 27.4
43 4 1 2 21.844 43.687 0.242 11.85 24 52.9 63.7
44 3 0 3 21.925 43.849 0.242 11.75 12 14.1 2.3
45 5 1 0 21.928 43.856 0.242 11.75 12 13.2 1.9
46 5 1 1 22.823 45.645 0.252 10.74 24 35.3 25.6
47 2 2 3 23.019 46.038 0.254 10.53 12 15.2 2.3
48 5 0 2 23.298 46.597 0.257 10.25 12 75.1 55.4
49 3 1 3 23.375 46.75 0.258 10.17 24 12.7 3.1
50 6 0 0 23.73 47.461 0.261 9.83 6 7.6 0.3
51 3 3 2 24.0 48.0 0.264 9.58 12 15.8 2.3
52 4 3 0 24.078 48.156 0.265 9.51 12 23.8 5.2
53 4 2 2 24.345 48.69 0.268 9.27 24 25.9 11.9
54 4 0 3 24.419 48.838 0.268 9.21 12 28.1 7.0
55 6 0 1 24.574 49.148 0.27 9.08 12 4.6 0.2
56 5 2 0 24.763 49.526 0.272 8.92 12 70.0 41.9
57 0 0 4 24.795 49.59 0.272 8.9 2 256.4 93.4
58 4 3 1 24.913 49.826 0.273 8.8 24 25.5 11.0
59 1 0 4 25.132 50.263 0.276 8.63 12 48.8 19.7
60 5 1 2 25.359 50.717 0.278 8.45 24 15.5 3.9
61 3 2 3 25.431 50.862 0.279 8.4 24 19.7 6.2
62 5 2 1 25.581 51.162 0.28 8.29 24 7.6 0.9
63 1 1 4 25.796 51.592 0.282 8.13 12 26.0 5.3
64 4 1 3 26.089 52.179 0.285 7.92 24 98.4 146.9
65 6 1 0 26.092 52.185 0.285 7.92 12 47.1 16.8
66 2 0 4 26.123 52.246 0.286 7.9 12 4.4 0.1
67 6 1 1 26.881 53.763 0.293 7.4 24 52.6 39.2
68 6 0 2 26.987 53.973 0.295 7.33 12 4.1 0.1
69 2 1 4 27.089 54.178 0.296 7.27 24 24.8 8.6
70 4 3 2 27.304 54.608 0.298 7.14 24 3.3 0.1
71 5 0 3 27.373 54.745 0.298 7.1 12 59.8 24.3
72 4 4 0 27.69 55.38 0.302 6.92 6 199.6 132.1
73 3 0 4 27.72 55.439 0.302 6.9 12 8.3 0.5
74 5 2 2 27.932 55.863 0.304 6.78 24 29.8 11.5
75 3 3 3 27.999 55.998 0.305 6.75 12 60.2 23.4
76 5 3 0 28.002 56.004 0.305 6.74 12 31.2 6.3
77 7 0 0 28.002 56.004 0.305 6.74 6 25.9 2.2
78 4 2 3 28.309 56.618 0.308 6.58 24 15.4 3.0
79 4 4 1 28.449 56.897 0.309 6.51 12 36.5 8.3
80 2 2 4 28.648 57.297 0.311 6.4 12 29.3 5.3
81 5 3 1 28.755 57.51 0.312 6.35 24 12.6 1.9
82 7 0 1 28.755 57.51 0.312 6.35 12 11.3 0.8
83 6 2 0 28.925 57.85 0.314 6.27 12 56.9 19.5
84 3 1 4 28.954 57.907 0.314 6.25 24 13.6 2.2
85 6 1 2 29.16 58.32 0.316 6.15 24 64.0 48.3
86 5 1 3 29.226 58.451 0.317 6.12 24 33.2 13.0
87 6 2 1 29.663 59.326 0.321 5.92 24 23.4 6.2
88 4 0 4 29.858 59.715 0.323 5.84 12 78.4 34.4
89 7 1 0 30.423 60.846 0.329 5.6 12 19.5 2.0
90 4 4 2 30.651 61.302 0.331 5.5 12 41.8 9.2
91 6 0 3 30.715 61.429 0.332 5.48 12 26.0 3.6
92 3 2 4 30.745 61.49 0.332 5.47 24 12.3 1.6
93 5 3 2 30.944 61.888 0.334 5.39 24 14.3 2.1
94 7 0 2 30.944 61.888 0.334 5.39 12 36.6 6.9
95 4 3 3 31.007 62.015 0.334 5.36 24 15.1 2.4
96 7 1 1 31.139 62.279 0.336 5.31 24 22.8 5.3
97 4 1 4 31.329 62.657 0.338 5.24 24 80.6 65.2
98 5 2 3 31.588 63.176 0.34 5.15 24 13.1 1.7
99 5 4 0 31.591 63.182 0.34 5.15 12 100.4 49.8
100 0 0 5 31.615 63.231 0.34 5.14 2 57.0 2.7
101 6 2 2 31.814 63.628 0.342 5.07 24 56.7 31.3
102 1 0 5 31.903 63.807 0.343 5.04 12 29.6 4.2
103 6 3 0 32.166 64.331 0.346 4.95 12 10.6 0.5
104 5 4 1 32.292 64.585 0.347 4.91 24 31.0 9.0
105 8 0 0 32.451 64.902 0.348 4.86 6 71.6 11.9
106 1 1 5 32.475 64.95 0.349 4.85 12 7.6 0.3
107 5 0 4 32.478 64.955 0.349 4.85 12 34.8 5.6
108 6 1 3 32.732 65.464 0.351 4.77 24 28.5 7.4
109 2 0 5 32.759 65.518 0.351 4.76 12 37.6 6.5
110 6 3 1 32.86 65.721 0.352 4.73 24 17.0 2.6
111 3 3 4 33.044 66.088 0.354 4.67 12 32.5 4.7
112 8 0 1 33.143 66.285 0.355 4.64 12 62.8 17.5
113 7 1 2 33.235 66.471 0.356 4.61 24 38.6 13.2
114 7 2 0 33.299 66.598 0.356 4.6 12 11.3 0.6
115 4 2 4 33.326 66.651 0.357 4.59 24 11.7 1.2
116 2 1 5 33.603 67.206 0.359 4.51 24 62.7 34.0
117 7 2 1 33.982 67.964 0.363 4.4 24 40.4 13.8
118 4 4 3 34.134 68.268 0.364 4.36 12 83.4 29.1
119 3 0 5 34.16 68.32 0.364 4.36 12 17.9 1.3
120 5 1 4 34.163 68.325 0.365 4.36 24 8.5 0.6
121 5 4 2 34.351 68.701 0.366 4.31 24 104.4 90.0
122 5 3 3 34.411 68.821 0.367 4.29 24 31.6 8.2
123 7 0 3 34.411 68.821 0.367 4.29 12 14.8 0.9
124 6 3 2 34.902 69.804 0.371 4.17 24 4.5 0.2
125 8 1 0 34.964 69.928 0.372 4.15 12 48.5 9.3
126 2 2 5 34.987 69.975 0.372 4.15 12 5.4 0.1
127 8 0 2 35.176 70.352 0.374 4.1 12 46.7 8.6
128 6 2 3 35.236 70.471 0.374 4.09 24 15.7 1.9
129 3 1 5 35.261 70.523 0.375 4.08 24 20.8 3.4
130 5 5 0 35.511 71.022 0.377 4.03 6 77.9 11.7
131 6 0 4 35.537 71.074 0.377 4.02 12 23.3 2.1
132 8 1 1 35.632 71.264 0.378 4.0 24 27.3 5.7
133 6 4 0 35.783 71.567 0.38 3.97 12 4.6 0.1
134 4 3 4 35.809 71.618 0.38 3.96 24 5.4 0.2
135 7 2 2 35.993 71.986 0.381 3.92 24 36.5 10.0
136 4 0 5 36.078 72.155 0.382 3.9 12 127.3 60.6
137 5 5 1 36.175 72.349 0.383 3.88 12 31.1 3.6
138 5 2 4 36.35 72.701 0.385 3.85 24 41.3 12.6
139 6 4 1 36.445 72.889 0.386 3.83 24 5.4 0.2
140 7 1 3 36.592 73.184 0.387 3.8 24 18.3 2.4
141 7 3 0 36.595 73.189 0.387 3.8 12 51.1 9.5
142 3 2 5 36.886 73.773 0.39 3.74 24 55.1 21.8
143 9 0 0 37.132 74.263 0.392 3.7 6 159.8 45.2
144 7 3 1 37.25 74.501 0.393 3.67 24 44.5 14.0
145 4 1 5 37.422 74.844 0.394 3.64 24 26.1 4.7
146 6 1 4 37.424 74.849 0.394 3.64 24 15.9 1.8
147 8 1 2 37.606 75.211 0.396 3.61 24 56.1 21.7
148 5 4 3 37.663 75.327 0.397 3.6 24 16.2 1.8
149 9 0 1 37.784 75.568 0.398 3.58 12 42.6 6.2
150 8 2 0 37.932 75.864 0.399 3.56 12 36.4 4.5
151 5 5 2 38.137 76.275 0.401 3.52 12 27.9 2.6
152 6 3 3 38.195 76.39 0.401 3.51 24 14.3 1.4
153 6 4 2 38.402 76.805 0.403 3.48 24 2.2 0.0
154 8 0 3 38.46 76.92 0.404 3.47 12 39.1 5.1
155 5 0 5 38.485 76.97 0.404 3.47 12 100.2 33.4
156 8 2 1 38.58 77.159 0.405 3.45 24 4.8 0.2
157 4 4 4 38.752 77.503 0.406 3.43 12 143.3 67.4
158 0 0 6 38.981 77.961 0.408 3.39 2 95.3 4.9
159 3 3 5 39.013 78.026 0.409 3.39 12 76.4 18.9
160 5 3 4 39.015 78.031 0.409 3.39 24 38.7 9.7
161 7 0 4 39.015 78.031 0.409 3.39 12 6.9 0.2
162 7 3 2 39.194 78.388 0.41 3.36 24 87.0 48.7
163 1 0 6 39.244 78.488 0.411 3.35 12 27.8 2.5
164 7 2 3 39.251 78.503 0.411 3.35 24 11.3 0.8
165 4 2 5 39.276 78.552 0.411 3.35 24 48.6 15.2
166 9 0 2 39.72 79.439 0.415 3.29 12 33.9 3.6
167 1 1 6 39.769 79.538 0.415 3.28 12 22.4 1.6
168 6 5 0 39.779 79.558 0.415 3.28 12 20.1 1.3
169 9 1 0 39.779 79.558 0.415 3.28 12 34.4 3.7
170 6 2 4 39.804 79.607 0.416 3.28 24 23.9 3.6
171 2 0 6 40.031 80.062 0.418 3.25 12 34.8 3.8
172 5 1 5 40.063 80.126 0.418 3.25 24 19.7 2.4
173 7 4 0 40.302 80.604 0.42 3.22 12 42.7 5.6
174 6 5 1 40.418 80.836 0.421 3.2 24 36.4 8.1
175 9 1 1 40.418 80.836 0.421 3.2 24 9.3 0.5
176 8 2 2 40.504 81.008 0.422 3.19 24 36.1 8.0
177 2 1 6 40.814 81.628 0.424 3.16 24 34.9 7.4
178 8 1 3 40.822 81.643 0.424 3.16 24 23.1 3.2
179 7 4 1 40.939 81.879 0.425 3.14 24 10.8 0.7
180 7 1 4 41.109 82.218 0.427 3.13 24 15.4 1.4
181 3 0 6 41.335 82.669 0.429 3.1 12 35.9 3.8
182 5 5 3 41.342 82.684 0.429 3.1 12 34.2 3.5
183 8 3 0 41.344 82.689 0.429 3.1 12 63.6 12.0
184 6 0 5 41.366 82.733 0.429 3.1 12 2.6 0.0
185 6 4 3 41.602 83.203 0.431 3.08 24 7.1 0.3
186 4 3 5 41.626 83.252 0.431 3.07 24 22.1 2.9
187 8 3 1 41.978 83.957 0.434 3.04 24 22.9 3.1
188 2 2 6 42.113 84.226 0.435 3.03 12 4.1 0.0
189 10 0 0 42.123 84.245 0.435 3.03 6 21.5 0.7
190 5 2 5 42.145 84.289 0.436 3.03 24 21.6 2.7
191 5 4 4 42.147 84.294 0.436 3.02 24 51.3 15.2
192 6 5 2 42.323 84.646 0.437 3.01 24 40.4 9.4
193 9 1 2 42.323 84.646 0.437 3.01 24 23.3 3.1
194 3 1 6 42.372 84.744 0.437 3.01 24 13.7 1.1
195 7 3 3 42.379 84.758 0.438 3.0 24 44.7 11.5
196 6 3 4 42.665 85.33 0.44 2.98 24 9.1 0.5
197 10 0 1 42.755 85.51 0.441 2.97 12 3.8 0.0
198 7 4 2 42.84 85.681 0.441 2.97 24 40.8 9.5
199 9 0 3 42.896 85.793 0.442 2.96 12 96.6 26.5
200 9 2 0 42.899 85.798 0.442 2.96 12 24.6 1.7
201 8 0 4 42.923 85.847 0.442 2.96 12 65.6 12.2
202 4 0 6 43.148 86.295 0.444 2.94 12 21.0 1.2
203 6 1 5 43.179 86.358 0.444 2.94 24 62.7 22.2
204 9 2 1 43.53 87.06 0.447 2.92 24 31.9 5.7
205 8 2 3 43.671 87.342 0.448 2.91 24 25.0 3.5
206 7 2 4 43.698 87.396 0.448 2.9 24 17.0 1.6
207 8 3 2 43.873 87.746 0.45 2.89 24 58.0 18.6
208 3 2 6 43.922 87.844 0.45 2.89 24 15.3 1.3
209 6 6 0 44.189 88.379 0.452 2.87 6 49.8 3.4
210 4 1 6 44.438 88.875 0.454 2.86 24 16.9 1.6
211 7 5 0 44.447 88.895 0.455 2.86 12 7.8 0.2
212 4 4 5 44.469 88.938 0.455 2.86 12 12.5 0.4
213 10 0 2 44.647 89.293 0.456 2.85 12 5.4 0.1
214 5 3 5 44.727 89.454 0.457 2.84 24 18.2 1.8
215 7 0 5 44.727 89.454 0.457 2.84 12 22.8 1.4
216 6 6 1 44.819 89.639 0.458 2.84 12 0.3 0.0
217 10 1 0 44.963 89.926 0.459 2.83 12 31.3 2.7
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 1 0 0 3.846 7.692 11.48436 2643.2 100.0 100.0 5.6
2 0 0 1 6.018 12.036 7.347 726.9 27.5 27.4 5.6
3 1 1 0 6.671 13.342 6.6305 502.2 19.0 18.9 5.6
4 1 0 1 7.15 14.299 6.1889 191.1 7.2 7.2 5.6
5 2 0 0 7.709 15.418 5.74218 43.9 1.7 1.7 5.6
6 2 0 1 9.803 19.605 4.52428 104.8 4.0 3.9 5.6
7 2 1 0 10.222 20.443 4.34068 217.3 8.2 8.2 5.6
8 3 0 0 11.608 23.216 3.82812 140.9 5.3 5.3 5.6
9 2 1 1 11.895 23.789 3.73717 420.8 15.9 15.8 5.6
10 1 0 2 12.718 25.436 3.49886 443.3 16.8 16.6 5.6
11 3 0 1 13.114 26.228 3.39492 36.1 1.4 1.4 5.6
12 2 2 0 13.435 26.87 3.31525 90.3 3.4 3.4 5.6
13 2 0 2 14.414 28.828 3.09445 186.6 7.1 7.0 5.6
14 4 0 0 15.562 31.125 2.87109 217.6 8.2 8.1 5.6
15 2 1 2 15.944 31.888 2.8041 284.1 10.7 10.6 5.6
16 4 0 1 16.741 33.482 2.67415 186.9 7.1 6.9 5.7
17 4 1 0 17.9 35.801 2.50609 210.8 8.0 7.8 5.7
18 3 2 1 18.095 36.19 2.48005 67.9 2.6 2.5 5.7
19 2 2 2 18.238 36.477 2.46117 37.1 1.4 1.4 5.7
20 5 0 0 19.594 39.189 2.29687 62.3 2.4 2.3 5.7
21 4 0 2 19.908 39.816 2.26214 27.7 1.0 1.0 5.7
22 5 0 1 20.571 41.142 2.19224 60.0 2.3 2.2 5.7
23 3 3 1 21.343 42.685 2.11647 28.3 1.1 1.0 5.7
24 4 2 1 21.72 43.44 2.08142 27.4 1.0 1.0 5.7
25 4 1 2 21.844 43.687 2.07023 63.7 2.4 2.3 5.7
26 5 0 2 23.298 46.597 1.94752 55.4 2.1 2.0 5.7
27 5 2 0 24.763 49.526 1.83897 41.9 1.6 1.5 5.7
28 0 0 4 24.795 49.59 1.83675 93.4 3.5 3.4 5.7
29 4 1 3 26.089 52.179 1.75154 163.8 6.2 6.0 5.8
30 6 1 1 26.881 53.763 1.70362 39.2 1.5 1.4 5.8
31 4 4 0 27.69 55.38 1.65763 132.1 5.0 4.8 5.8
32 3 3 3 27.999 55.998 1.64078 31.9 1.2 1.2 5.8
33 6 1 2 29.16 58.32 1.58088 48.3 1.8 1.7 5.8
34 4 0 4 29.858 59.715 1.54722 34.4 1.3 1.2 5.8
35 4 1 4 31.329 62.657 1.48146 65.2 2.5 2.3 5.8
36 0 0 5 31.615 63.231 1.4694 54.1 2.0 1.9 5.9
37 6 2 2 31.814 63.628 1.46119 31.3 1.2 1.1 5.9
38 2 1 5 33.603 67.206 1.39182 34.0 1.3 1.2 5.9
39 4 4 3 34.134 68.268 1.37274 31.0 1.2 1.1 5.9
40 5 4 2 34.351 68.701 1.36512 90.0 3.4 3.2 5.9
41 4 0 5 36.078 72.155 1.30804 60.6 2.3 2.1 5.9
42 9 0 0 37.132 74.263 1.27604 45.2 1.7 1.6 6.0
43 5 0 5 38.485 76.97 1.23778 38.5 1.5 1.3 6.0
44 4 4 4 38.752 77.503 1.23059 67.4 2.6 2.4 6.0
45 3 3 5 39.013 78.026 1.22365 28.8 1.1 1.0 6.0
46 7 3 2 39.194 78.388 1.21889 48.7 1.8 1.7 6.0
47 9 0 3 42.896 85.793 1.13164 40.5 1.5 1.4 6.1
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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