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
4, D, f-zeolites, DF, ZL
K(0.79)Mg(0.70)Ca(1.50)Al(5.49)Si(12.54)O(36).16.72H(2)O
Hexagonal P 6(-)m2 Z = 1
R =0.082 NR =406
15 .10 .1998
Ref.Str.:
Gualtieri A. et al. (1998)
* Amer. Mineral., 83, 590-606
Reserv:
Z-coordinate of pos.13 is corrected (in the article Z=0.2335). D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.308 alpha = 90.0
b = 13.308 beta = 90.0
c = 7.597 gamma = 120.0
Unit cell volume (cub. angs.) = 1165.19
Molar volume ( cub.cm/mol.) = 701.84
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0006 0.2317 0.2048 0.04 Si = 0.7 , Al = 0.3
2 0.0921 0.4227 0.5 0.03 Si = 0.7 , Al = 0.3
3 0.0208 0.3479 0.3173 0.02 O = 1.00
4 0.0957 0.9043 0.2686 0.09 O = 1.00
5 0.8761 0.1239 0.29 0.09 O = 1.00
6 0.0019 0.2691 0.0 0.05 O = 1.00
7 0.2287 0.7713 0.5 0.07 O = 1.00
8 0.457 0.543 0.5 0.02 O = 1.00
9 0.6667 0.3333 0.3876 0.04 Ca = 0.43, Ca = 0.0
10 0.6667 0.3333 0.2438 0.03 Ca = 0.32, Ca = 0.0
11 0.0 0.0 0.5 0.02 K = 0.89, K = 0.0
12 0.3333 0.6667 0.0 0.03 Mg = 0.86, Mg = 0.0
13 0.3333 0.6667 0.2635 0.12 H(2)O = 1.00
14 0.2424 0.7576 0.0 0.02 H(2)O = 0.65, H(2)O = 0.0
15 0.1129 0.4602 0.0 0.04 H(2)O = 0.55, H(2)O = 0.0
16 0.7564 0.2436 0.5 0.04 H(2)O = 0.94, H(2)O = 0.0
17 0.5637 0.4363 0.1603 0.13 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0006 0.2317 0.2048
2 2 0.0921 0.4227 0.5
3 3 0.0208 0.3479 0.3173
4 4 0.0957 0.9043 0.2686
5 5 0.8761 0.1239 0.29
6 6 0.0019 0.2691 0.0
7 7 0.2287 0.7713 0.5
8 8 0.457 0.543 0.5
9 9 0.6667 0.3333 0.3876
10 10 0.6667 0.3333 0.2438
11 11 0.0 0.0 0.5
12 12 0.3333 0.6667 0.0
13 13 0.3333 0.6667 0.2635
14 14 0.2424 0.7576 0.0
15 15 0.1129 0.4602 0.0
16 16 0.7564 0.2436 0.5
17 17 0.5637 0.4363 0.1603
18 1 0.7683 0.7689 0.2048
19 1 0.2311 0.9994 0.2048
20 2 0.5773 0.6694 0.5
21 2 0.3306 0.9079 0.5
22 3 0.6521 0.6729 0.3173
23 3 0.3271 0.9792 0.3173
24 4 0.0957 0.1914 0.2686
25 4 0.8086 0.9043 0.2686
26 5 0.8761 0.7522 0.29
27 5 0.2478 0.1239 0.29
28 6 0.7309 0.7328 0.0
29 6 0.2672 0.9981 0.0
30 7 0.2287 0.4574 0.5
31 7 0.5426 0.7713 0.5
32 8 0.457 0.914 0.5
33 8 0.086 0.543 0.5
34 14 0.2424 0.4848 0.0
35 14 0.5152 0.7576 0.0
36 15 0.5398 0.6527 0.0
37 15 0.3473 0.8871 0.0
38 16 0.7564 0.5128 0.5
39 16 0.4872 0.2436 0.5
40 17 0.5637 0.1274 0.1603
41 17 0.8726 0.4363 0.1603
42 1 0.0006 0.2317 0.7952
43 3 0.0208 0.3479 0.6827
44 4 0.0957 0.9043 0.7314
45 5 0.8761 0.1239 0.71
46 9 0.6667 0.3333 0.6124
47 10 0.6667 0.3333 0.7562
48 13 0.3333 0.6667 0.7365
49 17 0.5637 0.4363 0.8397
50 1 0.7683 0.7689 0.7952
51 1 0.2311 0.9994 0.7952
52 3 0.6521 0.6729 0.6827
53 3 0.3271 0.9792 0.6827
54 4 0.0957 0.1914 0.7314
55 4 0.8086 0.9043 0.7314
56 5 0.8761 0.7522 0.71
57 5 0.2478 0.1239 0.71
58 17 0.5637 0.1274 0.8397
59 17 0.8726 0.4363 0.8397
60 1 0.0006 0.7689 0.2048
61 2 0.0921 0.6694 0.5
62 3 0.0208 0.6729 0.3173
63 6 0.0019 0.7328 0.0
64 15 0.1129 0.6527 0.0
65 1 0.7683 0.9994 0.2048
66 1 0.2311 0.2317 0.2048
67 2 0.5773 0.9079 0.5
68 2 0.3306 0.4227 0.5
69 3 0.6521 0.9792 0.3173
70 3 0.3271 0.3479 0.3173
71 6 0.7309 0.9981 0.0
72 6 0.2672 0.2691 0.0
73 15 0.5398 0.8871 0.0
74 15 0.3473 0.4602 0.0
75 1 0.0006 0.7689 0.7952
76 3 0.0208 0.6729 0.6827
77 1 0.7683 0.9994 0.7952
78 1 0.2311 0.2317 0.7952
79 3 0.6521 0.9792 0.6827
80 3 0.3271 0.3479 0.6827
X-ray density (g/cm cub.) = 2.11
MU (1/cm) = 76.933 Mass attenuation coefficient (cm**2/g) = 36.466
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.484 4
1.6668 3
1.6868 5
1.631 6
1.6743 4
2 Si ,Al 2.484 4
1.695 3
1.6366 7
1.643 8
1.695 3
3 O 3.432 9
2.6262 5
2.5903 6
2.7775 15
3.369 16
2.7468 4
2.77 7
2.6772 8
3.0026 17
2.7759 3
4 O 3.432 6
2.7468 3
2.5979 5
2.5979 5
2.843 6
2.7466 3
2.8429 6
5 O 3.432 8
2.6262 3
2.8558 6
3.1871 16
2.5979 4
2.5979 4
3.1907 5
2.6262 3
2.8557 6
6 O 3.432 8
2.5903 3
2.8558 5
2.212 15
2.843 4
3.0489 14
2.5903 3
2.8558 5
2.843 4
7 O 3.432 8
3.0069 13
2.77 3
2.6584 8
2.6584 8
3.0069 13
2.77 3
2.77 3
2.77 3
8 O 3.432 8
3.3702 13
2.6772 3
2.6584 7
2.6584 7
3.3702 13
2.6772 3
2.6772 3
2.6772 3
9 Ca ,Ca 3.048 6
2.237 16
2.9357 17
2.2379 16
2.2379 16
2.9349 17
2.9349 17
10 Ca ,Ca 3.048 6
2.8396 16
2.4574 17
2.8403 16
2.8403 16
2.4564 17
2.4564 17
11 K ,K 3.396 12
2.8207 4
3.2713 5
2.8206 4
2.8206 4
3.2714 5
3.2714 5
2.8207 4
3.2713 5
2.8206 4
2.8206 4
3.2714 5
3.2714 5
12 Mg ,Mg 2.688 5
2.0018 13
2.0953 14
2.0965 14
2.0965 14
2.0018 13
13 H(2)O 3.6 16
3.0069 7
3.3702 8
2.8978 14
3.4788 15
3.0079 7
3.0079 7
3.3691 8
3.3691 8
2.8987 14
2.8987 14
3.4794 15
3.4782 15
3.5934 13
3.4783 15
3.4788 15
3.4793 15
14 H(2)O,H(2)O 3.6 12
2.8978 13
3.4371 15
3.529 3
3.0489 6
1.5853 15
2.8978 13
3.529 3
3.529 3
3.049 6
1.5853 15
3.4371 15
3.529 3
15 H(2)O,H(2)O 3.6 11
2.7775 3
2.212 6
3.4788 13
3.4371 14
1.5853 14
3.2853 17
2.7775 3
3.4788 13
3.2853 17
2.5618 15
3.1195 15
16 H(2)O,H(2)O 3.6 12
3.369 3
3.1871 5
3.5824 16
3.5824 16
3.415 17
3.415 17
3.369 3
3.1871 5
3.415 17
3.415 17
3.3689 3
3.3689 3
17 H(2)O 3.6 8
3.565 8
3.0026 3
3.2853 15
3.415 16
3.415 16
2.4356 17
3.0027 3
3.2853 15
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 3.832 7.664 0.043 444.75 6 63.7 798.5
2 0 0 1 5.819 11.639 0.066 191.57 2 65.3 120.5
3 1 1 0 6.648 13.295 0.075 146.28 6 45.0 130.8
4 1 0 1 6.975 13.95 0.079 132.66 12 21.4 53.9
5 2 0 0 7.682 15.363 0.087 108.98 6 66.8 214.9
6 1 1 1 8.852 17.705 0.1 81.52 12 8.0 4.7
7 2 0 1 9.658 19.317 0.109 68.13 12 48.4 141.2
8 2 1 0 10.185 20.37 0.115 61.05 12 79.0 336.6
9 3 0 0 11.567 23.133 0.13 46.86 6 104.6 226.5
10 0 0 2 11.7 23.4 0.132 45.75 2 55.6 20.8
11 2 1 1 11.761 23.523 0.132 45.25 24 77.7 482.5
12 1 0 2 12.328 24.657 0.139 41.0 12 105.3 401.8
13 3 0 1 12.984 25.969 0.146 36.76 12 38.5 48.1
14 2 2 0 13.387 26.774 0.15 34.46 6 77.5 91.4
15 1 1 2 13.503 27.007 0.152 33.84 12 18.1 9.8
16 3 1 0 13.944 27.889 0.156 31.6 12 24.2 16.4
17 2 0 2 14.056 28.113 0.158 31.07 12 59.9 98.7
18 2 2 1 14.64 29.281 0.164 28.49 12 20.2 10.2
19 3 1 1 15.156 30.311 0.17 26.45 24 42.5 84.5
20 4 0 0 15.506 31.012 0.174 25.19 6 160.5 286.8
21 2 1 2 15.608 31.216 0.175 24.83 24 114.2 572.4
22 3 0 2 16.569 33.139 0.185 21.82 12 19.9 7.6
23 4 0 1 16.614 33.228 0.186 21.7 12 57.7 63.8
24 3 2 0 16.937 33.875 0.189 20.81 12 26.5 12.9
25 0 0 3 17.709 35.417 0.197 18.88 2 63.3 11.2
26 4 1 0 17.835 35.67 0.199 18.59 12 107.7 190.4
27 2 2 2 17.925 35.85 0.2 18.39 12 15.6 4.0
28 3 2 1 17.967 35.934 0.2 18.29 24 47.6 73.1
29 1 0 3 18.146 36.291 0.202 17.9 12 13.5 2.9
30 3 1 2 18.358 36.715 0.204 17.45 24 22.4 15.5
31 4 1 1 18.822 37.643 0.209 16.51 24 18.0 9.4
32 1 1 3 18.994 37.987 0.211 16.19 12 9.2 1.2
33 2 0 3 19.406 38.811 0.216 15.44 12 41.9 24.0
34 5 0 0 19.522 39.045 0.217 15.23 6 27.2 5.0
35 4 0 2 19.606 39.212 0.218 15.09 12 13.7 2.5
36 3 3 0 20.321 40.643 0.225 13.93 6 141.9 124.0
37 5 0 1 20.44 40.879 0.227 13.75 12 36.1 15.8
38 2 1 3 20.6 41.2 0.228 13.52 24 12.0 3.4
39 4 2 0 20.711 41.423 0.23 13.35 12 40.5 19.4
40 3 2 2 20.791 41.581 0.23 13.24 24 15.4 5.6
41 3 3 1 21.21 42.42 0.235 12.66 12 60.3 40.6
42 3 0 3 21.366 42.731 0.236 12.46 12 68.8 52.2
43 4 1 2 21.551 43.101 0.238 12.22 24 23.5 11.9
44 4 2 1 21.587 43.173 0.239 12.17 24 43.5 40.7
45 5 1 0 21.847 43.693 0.242 11.85 12 18.8 3.7
46 2 2 3 22.474 44.948 0.248 11.12 12 14.0 1.9
47 5 1 1 22.686 45.373 0.25 10.88 24 43.3 36.1
48 3 1 3 22.834 45.668 0.252 10.72 24 41.4 32.5
49 5 0 2 23.01 46.02 0.254 10.54 12 79.1 58.3
50 6 0 0 23.641 47.283 0.26 9.91 6 27.6 3.3
51 3 3 2 23.713 47.426 0.261 9.84 12 31.4 8.6
52 4 0 3 23.889 47.778 0.263 9.68 12 72.2 44.6
53 0 0 4 23.927 47.854 0.263 9.65 2 230.1 75.2
54 4 3 0 23.988 47.976 0.264 9.59 12 8.1 0.6
55 4 2 2 24.059 48.117 0.265 9.53 24 10.3 1.8
56 1 0 4 24.27 48.54 0.267 9.34 12 64.8 34.6
57 6 0 1 24.433 48.866 0.268 9.2 12 26.4 5.7
58 5 2 0 24.67 49.339 0.271 9.0 12 36.4 10.5
59 4 3 1 24.771 49.542 0.272 8.91 24 21.4 7.2
60 3 2 3 24.909 49.819 0.273 8.8 24 18.7 5.4
61 1 1 4 24.946 49.893 0.274 8.77 12 7.1 0.4
62 5 1 2 25.074 50.148 0.275 8.67 24 19.2 5.6
63 2 0 4 25.279 50.559 0.277 8.51 12 22.0 3.7
64 5 2 1 25.437 50.875 0.279 8.39 24 5.5 0.5
65 4 1 3 25.573 51.146 0.28 8.29 24 69.7 71.2
66 6 1 0 25.993 51.987 0.284 7.99 12 45.4 14.6
67 2 1 4 26.26 52.52 0.287 7.81 24 21.0 6.1
68 6 0 2 26.703 53.406 0.292 7.51 12 25.8 4.4
69 6 1 1 26.734 53.467 0.292 7.49 24 53.9 38.5
70 5 0 3 26.865 53.729 0.293 7.41 12 84.1 46.4
71 3 0 4 26.899 53.799 0.294 7.39 12 29.2 5.6
72 4 3 2 27.021 54.041 0.295 7.31 24 15.8 3.2
73 3 3 3 27.494 54.989 0.3 7.03 12 68.8 29.4
74 4 4 0 27.584 55.168 0.301 6.98 6 212.0 138.6
75 5 2 2 27.648 55.296 0.301 6.94 24 28.5 10.0
76 4 2 3 27.806 55.611 0.303 6.85 24 23.3 6.6
77 2 2 4 27.84 55.68 0.303 6.83 12 23.5 3.3
78 5 3 0 27.895 55.789 0.304 6.8 12 19.3 2.2
79 7 0 0 27.895 55.789 0.304 6.8 6 9.7 0.3
80 3 1 4 28.149 56.297 0.306 6.66 24 19.6 4.5
81 4 4 1 28.295 56.591 0.308 6.59 12 5.2 0.2
82 5 3 1 28.601 57.202 0.311 6.43 24 6.5 0.5
83 7 0 1 28.601 57.202 0.311 6.43 12 33.4 6.3
84 5 1 3 28.726 57.452 0.312 6.37 24 53.5 32.3
85 6 2 0 28.813 57.626 0.313 6.32 12 79.1 34.9
86 6 1 2 28.876 57.751 0.313 6.29 24 107.1 127.5
87 4 0 4 29.062 58.124 0.315 6.2 12 84.1 38.7
88 6 2 1 29.505 59.011 0.32 5.99 24 51.1 27.7
89 3 2 4 29.958 59.915 0.324 5.79 24 21.4 4.7
90 6 0 3 30.22 60.44 0.327 5.68 12 77.5 30.1
91 7 1 0 30.304 60.609 0.328 5.64 12 29.4 4.3
92 4 4 2 30.365 60.73 0.328 5.62 12 20.4 2.1
93 0 0 5 30.462 60.924 0.329 5.58 2 5.1 0.0
94 4 3 3 30.513 61.027 0.33 5.56 24 43.2 18.3
95 4 1 4 30.546 61.091 0.33 5.55 24 67.3 44.4
96 5 3 2 30.657 61.315 0.331 5.5 24 21.0 4.3
97 7 0 2 30.657 61.315 0.331 5.5 12 27.0 3.5
98 1 0 5 30.754 61.508 0.332 5.46 12 28.5 3.9
99 7 1 1 30.976 61.952 0.334 5.38 24 21.4 4.3
100 5 2 3 31.095 62.191 0.335 5.33 24 23.7 5.3
101 1 1 5 31.333 62.666 0.338 5.24 12 4.0 0.1
102 5 4 0 31.466 62.933 0.339 5.19 12 57.7 15.3
103 6 2 2 31.526 63.051 0.339 5.17 24 46.6 19.8
104 2 0 5 31.62 63.241 0.34 5.14 12 50.6 11.6
105 5 0 4 31.703 63.405 0.341 5.11 12 16.4 1.2
106 6 3 0 32.038 64.077 0.344 4.99 12 27.2 3.3
107 5 4 1 32.124 64.248 0.345 4.96 24 17.3 2.6
108 6 1 3 32.241 64.482 0.346 4.93 24 22.3 4.3
109 3 3 4 32.272 64.544 0.347 4.91 12 11.3 0.6
110 8 0 0 32.322 64.645 0.347 4.9 6 91.1 18.0
111 2 1 5 32.474 64.948 0.349 4.85 24 64.5 35.6
112 4 2 4 32.555 65.11 0.349 4.82 24 12.2 1.3
113 6 3 1 32.69 65.38 0.351 4.78 24 19.0 3.0
114 7 1 2 32.944 65.888 0.353 4.7 24 29.9 7.4
115 8 0 1 32.971 65.941 0.353 4.69 12 53.5 11.9
116 3 0 5 33.037 66.073 0.354 4.67 12 7.5 0.2
117 7 2 0 33.166 66.332 0.355 4.63 12 31.3 4.0
118 5 1 4 33.396 66.792 0.357 4.57 24 12.0 1.2
119 4 4 3 33.643 67.286 0.36 4.5 12 102.7 41.9
120 7 2 1 33.806 67.613 0.361 4.45 24 31.3 7.7
121 2 2 5 33.871 67.742 0.362 4.43 12 11.9 0.6
122 5 3 3 33.92 67.84 0.362 4.42 24 37.1 10.7
123 7 0 3 33.92 67.84 0.362 4.42 12 7.8 0.2
124 5 4 2 34.056 68.112 0.364 4.38 24 74.0 42.4
125 3 1 5 34.147 68.295 0.364 4.36 24 42.2 13.7
126 6 3 2 34.606 69.211 0.369 4.24 24 23.2 4.0
127 6 2 3 34.744 69.489 0.37 4.21 24 6.8 0.3
128 6 0 4 34.775 69.549 0.37 4.2 12 29.1 3.2
129 8 1 0 34.823 69.646 0.371 4.19 12 34.3 4.4
130 8 0 2 34.879 69.758 0.371 4.17 12 71.7 19.0
131 4 0 5 34.969 69.938 0.372 4.15 12 115.4 48.9
132 4 3 4 35.047 70.094 0.373 4.13 24 30.9 7.0
133 5 5 0 35.367 70.734 0.376 4.06 6 41.2 3.0
134 8 1 1 35.449 70.897 0.376 4.04 24 20.9 3.1
135 5 2 4 35.59 71.18 0.378 4.01 24 15.5 1.7
136 6 4 0 35.638 71.275 0.378 4.0 12 19.7 1.4
137 7 2 2 35.693 71.386 0.379 3.99 24 39.9 11.2
138 3 2 5 35.782 71.565 0.38 3.97 24 65.4 30.0
139 5 5 1 35.989 71.977 0.381 3.92 12 4.6 0.1
140 7 1 3 36.099 72.199 0.382 3.9 24 9.5 0.6
141 6 4 1 36.257 72.515 0.384 3.87 24 18.0 2.2
142 4 1 5 36.32 72.641 0.384 3.85 24 58.2 23.1
143 7 3 0 36.445 72.889 0.386 3.83 12 53.6 9.7
144 6 1 4 36.665 73.329 0.388 3.78 24 12.4 1.0
145 9 0 0 36.979 73.957 0.39 3.72 6 216.8 77.4
146 7 3 1 37.059 74.118 0.391 3.71 24 44.0 12.7
147 5 4 3 37.168 74.337 0.392 3.69 24 55.8 20.3
148 8 1 2 37.299 74.598 0.393 3.66 24 69.6 31.4
149 5 0 5 37.387 74.774 0.394 3.65 12 66.9 14.4
150 0 0 6 37.471 74.941 0.395 3.63 2 149.1 11.9
151 9 0 1 37.59 75.179 0.396 3.61 12 30.0 2.9
152 6 3 3 37.699 75.397 0.397 3.59 24 45.7 13.3
153 1 0 6 37.735 75.471 0.397 3.59 12 30.1 2.9
154 8 2 0 37.774 75.549 0.398 3.58 12 35.2 3.9
155 5 5 2 37.829 75.658 0.398 3.57 12 15.1 0.7
156 3 3 5 37.916 75.832 0.399 3.56 12 87.2 23.9
157 8 0 3 37.963 75.926 0.399 3.55 12 53.4 9.0
158 4 4 4 37.992 75.984 0.4 3.55 12 125.1 49.0
159 6 4 2 38.093 76.185 0.4 3.53 24 10.4 0.7
160 4 2 5 38.18 76.36 0.401 3.51 24 62.6 24.3
161 5 3 4 38.255 76.511 0.402 3.5 24 32.4 6.5
162 7 0 4 38.255 76.511 0.402 3.5 12 14.1 0.6
163 1 1 6 38.263 76.526 0.402 3.5 12 38.6 4.6
164 8 2 1 38.381 76.762 0.403 3.48 24 10.3 0.7
165 2 0 6 38.526 77.052 0.404 3.46 12 22.5 1.5
166 7 2 3 38.752 77.503 0.406 3.43 24 25.1 3.8
167 7 3 2 38.881 77.762 0.407 3.41 24 119.1 85.5
168 5 1 5 38.967 77.935 0.408 3.39 24 28.9 5.0
169 6 2 4 39.042 78.085 0.409 3.38 24 28.7 4.9
170 2 1 6 39.311 78.623 0.411 3.35 24 26.6 4.2
171 9 0 2 39.404 78.807 0.412 3.33 12 57.6 9.8
172 6 5 0 39.611 79.221 0.414 3.3 12 25.4 1.9
173 9 1 0 39.611 79.221 0.414 3.3 12 4.5 0.1
174 3 0 6 39.833 79.665 0.416 3.28 12 37.6 4.1
175 7 4 0 40.131 80.262 0.418 3.24 12 10.3 0.3
176 8 2 2 40.184 80.369 0.419 3.23 24 24.6 3.4
177 6 5 1 40.209 80.418 0.419 3.23 24 40.0 9.1
178 9 1 1 40.209 80.418 0.419 3.23 24 19.1 2.1
179 6 0 5 40.27 80.54 0.42 3.22 12 13.2 0.5
180 8 1 3 40.316 80.632 0.42 3.22 24 36.6 7.6
181 7 1 4 40.344 80.689 0.42 3.21 24 30.4 5.2
182 4 3 5 40.529 81.059 0.422 3.19 24 17.1 1.7
183 2 2 6 40.611 81.222 0.423 3.18 12 44.8 5.6
184 7 4 1 40.727 81.455 0.424 3.17 24 5.8 0.2
185 5 5 3 40.834 81.668 0.424 3.16 12 13.1 0.5
186 3 1 6 40.87 81.74 0.425 3.15 24 39.6 8.7
187 5 2 5 41.047 82.094 0.426 3.13 24 5.2 0.1
188 6 4 3 41.092 82.185 0.427 3.13 24 35.0 6.8
189 8 3 0 41.167 82.333 0.427 3.12 12 55.0 8.3
190 5 4 4 41.379 82.758 0.429 3.1 24 35.7 7.0
191 4 0 6 41.644 83.289 0.431 3.07 12 64.2 11.2
192 8 3 1 41.76 83.52 0.432 3.06 24 16.5 1.5
193 7 3 3 41.866 83.732 0.433 3.05 24 30.6 5.1
194 6 3 4 41.895 83.789 0.433 3.05 24 14.5 1.1
195 10 0 0 41.94 83.88 0.434 3.04 6 12.0 0.2
196 6 5 2 41.993 83.986 0.434 3.04 24 42.3 9.6
197 9 1 2 41.993 83.986 0.434 3.04 24 20.6 2.3
198 6 1 5 42.078 84.156 0.435 3.03 24 60.3 19.5
199 8 0 4 42.152 84.304 0.436 3.02 12 76.7 15.7
200 9 0 3 42.381 84.761 0.438 3.0 12 71.5 13.6
201 3 2 6 42.416 84.833 0.438 3.0 24 7.7 0.3
202 7 4 2 42.507 85.014 0.439 2.99 24 45.8 11.1
203 10 0 1 42.532 85.064 0.439 2.99 12 17.7 0.8
204 9 2 0 42.711 85.422 0.44 2.98 12 31.0 2.5
205 7 2 4 42.923 85.845 0.442 2.96 24 17.5 1.6
206 4 1 6 42.93 85.86 0.442 2.96 24 17.9 1.7
207 8 2 3 43.151 86.302 0.444 2.94 24 20.7 2.2
208 9 2 1 43.302 86.603 0.445 2.93 24 37.6 7.3
209 4 4 5 43.362 86.724 0.446 2.93 12 52.4 7.1
210 8 3 2 43.533 87.067 0.447 2.92 24 47.4 11.6
211 5 3 5 43.618 87.236 0.448 2.91 24 19.3 1.9
212 7 0 5 43.618 87.236 0.448 2.91 12 29.2 2.2
213 5 0 6 43.955 87.911 0.451 2.89 12 26.9 1.8
214 6 6 0 43.993 87.986 0.451 2.88 6 18.2 0.4
215 7 5 0 44.249 88.498 0.453 2.87 12 3.8 0.0
216 10 0 2 44.302 88.604 0.453 2.87 12 3.3 0.0
217 6 2 5 44.386 88.773 0.454 2.86 24 56.0 15.9
218 8 1 4 44.46 88.92 0.455 2.86 24 37.9 7.2
219 3 3 6 44.467 88.935 0.455 2.86 12 21.0 1.1
220 6 6 1 44.582 89.165 0.456 2.85 12 28.1 2.0
221 4 2 6 44.723 89.447 0.457 2.84 24 5.7 0.2
222 10 1 0 44.761 89.522 0.457 2.84 12 2.6 0.0
223 7 5 1 44.838 89.677 0.458 2.84 24 14.3 1.0
224 6 5 3 44.944 89.887 0.459 2.83 24 12.8 0.8
225 9 1 3 44.944 89.887 0.459 2.83 24 38.5 7.4
226 5 5 4 44.972 89.944 0.459 2.83 12 25.8 1.7
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 3.832 7.664 11.52507 798.5 100.0 100.0 5.6
2 0 0 1 5.819 11.639 7.597 120.5 15.1 15.1 5.6
3 1 1 0 6.648 13.295 6.654 130.8 16.4 16.3 5.6
4 1 0 1 6.975 13.95 6.34294 53.9 6.8 6.7 5.6
5 2 0 0 7.682 15.363 5.76253 214.9 26.9 26.8 5.6
6 2 0 1 9.658 19.317 4.59117 141.2 17.7 17.6 5.6
7 2 1 0 10.185 20.37 4.35607 336.6 42.2 41.8 5.6
8 3 0 0 11.567 23.133 3.84169 226.5 28.4 28.1 5.6
9 0 0 2 11.7 23.4 3.7985 20.8 2.6 2.6 5.6
10 2 1 1 11.761 23.523 3.77892 482.5 60.4 59.8 5.6
11 1 0 2 12.328 24.657 3.60761 401.8 50.3 49.8 5.6
12 3 0 1 12.984 25.969 3.42828 48.1 6.0 6.0 5.6
13 2 2 0 13.387 26.774 3.327 91.4 11.5 11.3 5.6
14 1 1 2 13.503 27.007 3.29883 9.8 1.2 1.2 5.6
15 3 1 0 13.944 27.889 3.19648 16.4 2.1 2.0 5.6
16 2 0 2 14.056 28.113 3.17147 98.7 12.4 12.2 5.6
17 2 2 1 14.64 29.281 3.04757 10.2 1.3 1.3 5.6
18 3 1 1 15.156 30.311 2.9463 84.5 10.6 10.4 5.6
19 4 0 0 15.506 31.012 2.88127 286.8 35.9 35.4 5.6
20 2 1 2 15.608 31.216 2.86291 572.4 71.7 70.6 5.6
21 4 0 1 16.614 33.228 2.69402 63.8 8.0 7.8 5.6
22 3 2 0 16.937 33.875 2.64403 12.9 1.6 1.6 5.7
23 0 0 3 17.709 35.417 2.53233 11.2 1.4 1.4 5.7
24 4 1 0 17.835 35.67 2.51498 190.4 23.8 23.4 5.7
25 3 2 1 17.967 35.934 2.49712 73.1 9.2 9.0 5.7
26 3 1 2 18.358 36.715 2.44574 15.5 1.9 1.9 5.7
27 4 1 1 18.822 37.643 2.38755 9.4 1.2 1.2 5.7
28 2 0 3 19.406 38.811 2.31835 24.0 3.0 2.9 5.7
29 3 3 0 20.321 40.643 2.218 124.0 15.5 15.1 5.7
30 5 0 1 20.44 40.879 2.20572 15.8 2.0 1.9 5.7
31 4 2 0 20.711 41.423 2.17803 19.4 2.4 2.4 5.7
32 3 3 1 21.21 42.42 2.12911 40.6 5.1 5.0 5.7
33 3 0 3 21.366 42.731 2.11431 52.2 6.5 6.4 5.7
34 4 1 2 21.551 43.101 2.097 11.9 1.5 1.5 5.7
35 4 2 1 21.587 43.173 2.09369 40.7 5.1 5.0 5.7
36 5 1 1 22.686 45.373 1.99716 36.1 4.5 4.4 5.7
37 3 1 3 22.834 45.668 1.98492 32.5 4.1 4.0 5.7
38 5 0 2 23.01 46.02 1.97058 58.3 7.3 7.1 5.7
39 3 3 2 23.713 47.426 1.91538 8.6 1.1 1.0 5.7
40 4 0 3 23.889 47.778 1.9021 44.6 5.6 5.4 5.7
41 0 0 4 23.927 47.854 1.89925 75.2 9.4 9.1 5.7
42 1 0 4 24.27 48.54 1.87398 34.6 4.3 4.2 5.7
43 5 2 0 24.67 49.339 1.84549 10.5 1.3 1.3 5.7
44 4 1 3 25.573 51.146 1.78446 71.2 8.9 8.6 5.8
45 6 1 0 25.993 51.987 1.75756 14.6 1.8 1.8 5.8
46 6 1 1 26.734 53.467 1.71233 38.5 4.8 4.6 5.8
47 5 0 3 26.865 53.729 1.7046 46.4 5.8 5.6 5.8
48 3 3 3 27.494 54.989 1.66849 29.4 3.7 3.5 5.8
49 4 4 0 27.584 55.168 1.6635 138.6 17.4 16.7 5.8
50 5 2 2 27.648 55.296 1.65994 10.0 1.3 1.2 5.8
51 5 1 3 28.726 57.452 1.60267 32.3 4.0 3.9 5.8
52 6 2 0 28.813 57.626 1.59824 34.9 4.4 4.2 5.8
53 6 1 2 28.876 57.751 1.59509 127.5 16.0 15.3 5.8
54 4 0 4 29.062 58.124 1.58574 38.7 4.9 4.6 5.8
55 6 2 1 29.505 59.011 1.564 27.7 3.5 3.3 5.8
56 6 0 3 30.22 60.44 1.53039 30.1 3.8 3.6 5.8
57 4 3 3 30.513 61.027 1.51707 18.3 2.3 2.2 5.8
58 4 1 4 30.546 61.091 1.51563 44.4 5.6 5.3 5.8
59 5 4 0 31.466 62.933 1.47563 15.3 1.9 1.8 5.9
60 6 2 2 31.526 63.051 1.47315 19.8 2.5 2.4 5.9
61 2 0 5 31.62 63.241 1.46919 11.6 1.5 1.4 5.9
62 8 0 0 32.322 64.645 1.44063 18.0 2.2 2.1 5.9
63 2 1 5 32.474 64.948 1.43463 35.6 4.5 4.2 5.9
64 8 0 1 32.971 65.941 1.41541 19.3 2.4 2.3 5.9
65 4 4 3 33.643 67.286 1.39035 41.9 5.2 4.9 5.9
66 5 3 3 33.92 67.84 1.38034 11.0 1.4 1.3 5.9
67 5 4 2 34.056 68.112 1.37549 42.4 5.3 5.0 5.9
68 3 1 5 34.147 68.295 1.37226 13.7 1.7 1.6 5.9
69 8 0 2 34.879 69.758 1.34701 19.0 2.4 2.2 5.9
70 4 0 5 34.969 69.938 1.34398 48.9 6.1 5.7 5.9
71 7 2 2 35.693 71.386 1.32023 11.2 1.4 1.3 5.9
72 3 2 5 35.782 71.565 1.31738 30.0 3.8 3.5 5.9
73 4 1 5 36.32 72.641 1.30049 23.1 2.9 2.7 6.0
74 7 3 0 36.445 72.889 1.29667 9.7 1.2 1.1 6.0
75 9 0 0 36.979 73.957 1.28056 77.4 9.7 9.0 6.0
76 7 3 1 37.059 74.118 1.27819 12.7 1.6 1.5 6.0
77 5 4 3 37.168 74.337 1.27496 20.3 2.5 2.4 6.0
78 8 1 2 37.299 74.598 1.27114 31.4 3.9 3.7 6.0
79 5 0 5 37.387 74.774 1.26859 14.4 1.8 1.7 6.0
80 0 0 6 37.471 74.941 1.26617 11.9 1.5 1.4 6.0
81 6 3 3 37.699 75.397 1.25964 13.3 1.7 1.5 6.0
82 3 3 5 37.916 75.832 1.25349 23.9 3.0 2.8 6.0
83 4 4 4 37.992 75.984 1.25137 58.0 7.3 6.7 6.0
84 4 2 5 38.18 76.36 1.24614 24.3 3.0 2.8 6.0
85 5 3 4 38.255 76.511 1.24406 11.7 1.5 1.4 6.0
86 7 3 2 38.881 77.762 1.22714 85.5 10.7 9.9 6.0
87 9 0 2 39.404 78.807 1.21346 9.8 1.2 1.1 6.0
88 6 5 1 40.209 80.418 1.19316 14.7 1.8 1.7 6.0
89 8 1 3 40.316 80.632 1.19054 12.8 1.6 1.5 6.1
90 3 1 6 40.87 81.74 1.17718 8.7 1.1 1.0 6.1
91 8 3 0 41.167 82.333 1.17019 8.3 1.0 1.0 6.1
92 4 0 6 41.644 83.289 1.15918 11.2 1.4 1.3 6.1
93 6 5 2 41.993 83.986 1.15132 11.9 1.5 1.4 6.1
94 6 1 5 42.078 84.156 1.14943 19.5 2.4 2.2 6.1
95 8 0 4 42.152 84.304 1.14779 15.7 2.0 1.8 6.1
96 9 0 3 42.381 84.761 1.14276 13.6 1.7 1.5 6.1
97 7 4 2 42.507 85.014 1.14 11.9 1.5 1.4 6.1
98 8 3 2 43.533 87.067 1.11833 11.6 1.5 1.3 6.1
99 6 2 5 44.386 88.773 1.10119 15.9 2.0 1.8 6.2
100 8 1 4 44.46 88.92 1.09976 8.4 1.0 0.9 6.2
101 9 1 3 44.944 89.887 1.09041 9.1 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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