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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VISHNEVITE
3, f-feldspathoid, sf-leucite, s-vishnevite, DF
[Na(1.88)K(1.29)][Si(3)Al(3)O(12)][SO(4)](0.29)
Hexagonal P 6(3) Z = 6
P6(3)
6 .2 .1908
Ref.Str.:
Della Ventura G., Bellatreccia F., Parodi G.C., Camara F., Piccinini M.
(2007) * Amer. Mineral., 92, 713-721
Reserv:
From Latium, Italy
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.7228 alpha = 90.0
b = 12.7228 beta = 90.0
c = 5.198 gamma = 120.0
Unit cell volume (cub. angs.) = 728.67
Molar volume ( cub.cm/mol.) = 73.15
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6667 0.3333 0.1333 0.0 Na = 0.83, Na = 0.0
2 0.1141 0.2258 0.294 0.0 Na = 0.35, Na = 0.0
3 0.1458 0.2894 0.2893 0.0 K = 0.43, K = 0.0
4 0.3384 0.4144 0.757 0.0 Al = 1.00
5 0.0834 0.4134 0.7562 0.0 Si = 1.00
6 0.0 0.0 0.2918 0.0 S = 0.29, S = 0.0
7 0.2019 0.4044 0.6799 0.0 O = 1.00
8 0.1192 0.5535 0.7332 0.0 O = 1.00
9 0.0386 0.3599 0.0419 0.0 O = 1.00
10 0.3279 0.3527 0.0597 0.0 O = 1.00
11 0.0615 0.1133 0.6725 0.0 O = 0.22, O = 0.0
12 0.0496 0.109 0.9541 0.0 O = 0.25, O = 0.0
13 0.6184 0.3043 0.6893 0.0 O = 0.33, O = 0.0
14 0.0 0.0 0.0737 0.0 O = 0.22, O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6667 0.3333 0.1333
2 2 0.1141 0.2258 0.294
3 3 0.1458 0.2894 0.2893
4 4 0.3384 0.4144 0.757
5 5 0.0834 0.4134 0.7562
6 6 0.0 0.0 0.2918
7 7 0.2019 0.4044 0.6799
8 8 0.1192 0.5535 0.7332
9 9 0.0386 0.3599 0.0419
10 10 0.3279 0.3527 0.0597
11 11 0.0615 0.1133 0.6725
12 12 0.0496 0.109 0.9541
13 13 0.6184 0.3043 0.6893
14 14 0.0 0.0 0.0737
15 2 0.7742 0.8883 0.294
16 2 0.1117 0.8859 0.294
17 3 0.7106 0.8564 0.2893
18 3 0.1436 0.8542 0.2893
19 4 0.5856 0.924 0.757
20 4 0.076 0.6616 0.757
21 5 0.5866 0.67 0.7562
22 5 0.33 0.9166 0.7562
23 7 0.5956 0.7975 0.6799
24 7 0.2025 0.7981 0.6799
25 8 0.4465 0.5657 0.7332
26 8 0.4343 0.8808 0.7332
27 9 0.6401 0.6787 0.0419
28 9 0.3213 0.9614 0.0419
29 10 0.6473 0.9752 0.0597
30 10 0.0248 0.6721 0.0597
31 11 0.8867 0.9482 0.6725
32 11 0.0518 0.9385 0.6725
33 12 0.891 0.9406 0.9541
34 12 0.0594 0.9504 0.9541
35 13 0.6957 0.3141 0.6893
36 13 0.6859 0.3816 0.6893
37 1 0.3333 0.6667 0.6333
38 2 0.8859 0.7742 0.794
39 3 0.8542 0.7106 0.7893
40 4 0.6616 0.5856 0.257
41 5 0.9166 0.5866 0.2562
42 6 0.0 0.0 0.7918
43 7 0.7981 0.5956 0.1799
44 8 0.8808 0.4465 0.2332
45 9 0.9614 0.6401 0.5419
46 10 0.6721 0.6473 0.5597
47 11 0.9385 0.8867 0.1725
48 12 0.9504 0.891 0.4541
49 13 0.3816 0.6957 0.1893
50 14 0.0 0.0 0.5737
51 2 0.2258 0.1117 0.794
52 2 0.8883 0.1141 0.794
53 3 0.2894 0.1436 0.7893
54 3 0.8564 0.1458 0.7893
55 4 0.4144 0.076 0.257
56 4 0.924 0.3384 0.257
57 5 0.4134 0.33 0.2562
58 5 0.67 0.0834 0.2562
59 7 0.4044 0.2025 0.1799
60 7 0.7975 0.2019 0.1799
61 8 0.5535 0.4343 0.2332
62 8 0.5657 0.1192 0.2332
63 9 0.3599 0.3213 0.5419
64 9 0.6787 0.0386 0.5419
65 10 0.3527 0.0248 0.5597
66 10 0.9752 0.3279 0.5597
67 11 0.1133 0.0518 0.1725
68 11 0.9482 0.0615 0.1725
69 12 0.109 0.0594 0.4541
70 12 0.9406 0.0496 0.4541
71 13 0.3043 0.6859 0.1893
72 13 0.3141 0.6184 0.1893
X-ray density (g/cm cub.) = 2.29
MU (1/cm) = 96.007 Mass attenuation coefficient (cm**2/g) = 41.97
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Na 2.808 6
2.3692 13
2.3692 13
2.3692 13
2.4171 8
2.4173 8
2.4171 8
2 Na ,Na 2.808 9
2.6813 9
2.6641 10
2.3258 11
2.1872 12
2.7389 14
2.2971 11
2.1936 11
2.2452 12
2.3754 12
3 K ,K 3.228 11
2.3934 7
2.3541 9
2.3611 10
2.7811 11
2.6444 12
2.8641 9
2.8267 10
2.9029 11
2.7941 11
2.854 12
2.9821 12
4 Al 2.316 4
1.7239 7
1.7335 10
1.7218 8
1.7469 9
5 Si 2.1 4
1.6174 7
1.6084 8
1.6142 9
1.62 10
6 S ,S 1.98 8
1.1337 14
1.3953 11
1.469 12
1.4653 14
1.3953 11
1.3954 11
1.469 12
1.4691 12
7 O 3.264 7
2.6035 8
2.646 9
2.8204 10
3.2083 11
2.7543 8
2.7925 9
2.6173 10
8 O 3.264 8
2.6035 7
2.6772 9
2.7543 7
2.9002 10
2.9061 9
2.6739 10
3.1682 13
3.2254 13
9 O 3.264 6
2.646 7
2.6772 8
2.9061 8
2.7927 7
2.7807 10
2.602 10
10 O 3.264 6
2.8204 7
2.9002 8
2.617 7
2.6739 8
2.602 9
2.7807 9
11 O ,O 3.264 15
3.2083 7
1.4698 12
2.4313 14
2.1649 11
2.1649 11
2.6287 12
2.5266 12
2.6997 12
1.3513 14
2.8839 11
2.8839 11
2.884 11
2.884 11
1.5932 12
1.7508 12
12 O ,O 3.264 14
1.4698 11
1.3538 14
2.5266 11
2.6287 11
2.083 12
2.083 12
2.6997 11
2.3143 14
1.7506 11
1.5934 11
2.8637 12
2.8637 12
2.8638 12
2.8638 12
13 O ,O 3.264 4
0.9275 13
0.9275 13
3.2256 8
3.1681 8
14 O ,O 3.264 14
2.4313 11
1.3538 12
2.4313 11
2.4314 11
1.3538 12
1.3539 12
1.3513 11
2.3143 12
2.599 14
2.599 14
1.3513 11
1.3514 11
2.3143 12
2.3144 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 4.009 8.018 0.045 406.24 6 5.9 15.8
2 1 1 0 6.955 13.91 0.079 133.45 6 58.1 509.1
3 2 0 0 8.037 16.075 0.091 99.36 6 15.0 25.2
4 1 0 1 9.43 18.861 0.106 71.57 12 63.3 648.2
5 1 2 0 10.659 21.318 0.12 55.56 6 42.0 110.8
6 2 1 0 10.659 21.318 0.12 55.56 6 19.2 23.0
7 1 1 1 11.033 22.065 0.124 51.71 12 8.7 8.9
8 2 0 1 11.756 23.511 0.132 45.3 12 11.6 13.8
9 3 0 0 12.106 24.213 0.136 42.59 6 98.3 465.5
10 1 2 1 13.71 27.42 0.154 32.76 12 77.7 446.8
11 2 1 1 13.71 27.42 0.154 32.76 12 80.2 476.0
12 2 2 0 14.015 28.03 0.157 31.27 6 5.9 1.2
13 1 3 0 14.6 29.199 0.164 28.66 6 8.2 2.2
14 3 1 0 14.6 29.199 0.164 28.66 6 11.8 4.5
15 3 0 1 14.88 29.76 0.167 27.51 12 24.3 36.8
16 4 0 0 16.239 32.477 0.182 22.8 6 108.0 300.8
17 2 2 1 16.494 32.988 0.184 22.04 12 3.6 0.6
18 1 3 1 17.001 34.003 0.19 20.64 12 35.2 57.9
19 3 1 1 17.001 34.003 0.19 20.64 12 46.4 100.4
20 0 0 2 17.24 34.48 0.192 20.02 2 187.0 263.7
21 1 0 2 17.729 35.457 0.198 18.83 12 30.4 39.3
22 2 3 0 17.742 35.484 0.198 18.8 6 26.0 14.3
23 3 2 0 17.742 35.484 0.198 18.8 6 33.9 24.4
24 4 0 1 18.45 36.9 0.205 17.26 12 88.5 305.3
25 1 1 2 18.672 37.345 0.208 16.81 12 15.3 8.9
26 1 4 0 18.685 37.37 0.208 16.78 6 18.7 6.6
27 4 1 0 18.685 37.37 0.208 16.78 6 27.6 14.4
28 2 0 2 19.129 38.259 0.213 15.93 12 10.7 4.1
29 2 3 1 19.807 39.614 0.22 14.75 12 39.8 52.8
30 3 2 1 19.807 39.614 0.22 14.75 12 33.5 37.5
31 1 2 2 20.448 40.896 0.227 13.74 12 13.8 5.9
32 2 1 2 20.448 40.896 0.227 13.74 12 10.8 3.6
33 5 0 0 20.46 40.919 0.227 13.72 6 13.9 3.0
34 1 4 1 20.67 41.339 0.229 13.41 12 34.2 35.5
35 4 1 1 20.67 41.339 0.229 13.41 12 36.4 40.1
36 3 0 2 21.289 42.578 0.236 12.56 12 55.9 88.8
37 3 3 0 21.301 42.601 0.236 12.54 6 103.0 150.2
38 2 4 0 21.711 43.422 0.24 12.01 6 1.4 0.0
39 4 2 0 21.711 43.422 0.24 12.01 6 4.0 0.2
40 5 0 1 22.313 44.625 0.246 11.3 12 38.5 37.8
41 2 2 2 22.503 45.006 0.248 11.08 12 25.3 16.1
42 1 3 2 22.896 45.793 0.253 10.66 12 13.9 4.6
43 3 1 2 22.896 45.793 0.253 10.66 12 14.7 5.2
44 1 5 0 22.907 45.814 0.253 10.65 6 23.3 6.5
45 5 1 0 22.907 45.814 0.253 10.65 6 20.4 5.0
46 3 3 1 23.099 46.198 0.255 10.45 12 3.2 0.2
47 2 4 1 23.485 46.969 0.259 10.06 12 5.7 0.7
48 4 2 1 23.485 46.969 0.259 10.06 12 9.6 2.1
49 4 0 2 24.046 48.093 0.264 9.54 12 66.8 96.2
50 1 5 1 24.613 49.227 0.27 9.05 12 21.4 9.4
51 5 1 1 24.613 49.227 0.27 9.05 12 24.8 12.6
52 6 0 0 24.8 49.601 0.272 8.89 6 6.0 0.4
53 2 3 2 25.156 50.312 0.276 8.61 12 48.2 45.2
54 3 2 2 25.156 50.312 0.276 8.61 12 43.7 37.1
55 3 4 0 25.166 50.332 0.276 8.6 6 42.0 17.2
56 4 3 0 25.166 50.332 0.276 8.6 6 29.2 8.3
57 1 4 2 25.876 51.753 0.283 8.07 12 45.4 37.6
58 4 1 2 25.876 51.753 0.283 8.07 12 51.0 47.5
59 2 5 0 25.886 51.772 0.283 8.06 6 44.8 18.3
60 5 2 0 25.886 51.772 0.283 8.06 6 64.6 38.0
61 6 0 1 26.415 52.829 0.289 7.7 12 17.6 5.4
62 1 0 3 26.745 53.491 0.292 7.49 12 38.0 24.5
63 3 4 1 26.764 53.529 0.292 7.47 12 39.3 26.2
64 4 3 1 26.764 53.529 0.292 7.47 12 29.0 14.3
65 5 0 2 27.276 54.552 0.297 7.16 12 23.1 8.6
66 1 6 0 27.286 54.571 0.298 7.15 6 4.9 0.2
67 6 1 0 27.286 54.571 0.298 7.15 6 1.5 0.0
68 1 1 3 27.436 54.872 0.299 7.06 12 6.3 0.6
69 2 5 1 27.455 54.909 0.299 7.05 12 33.6 18.0
70 5 2 1 27.455 54.909 0.299 7.05 12 41.4 27.3
71 2 0 3 27.777 55.554 0.303 6.87 12 43.8 29.8
72 3 3 2 27.958 55.916 0.304 6.77 12 43.7 29.2
73 2 4 2 28.295 56.59 0.308 6.59 12 16.4 4.0
74 4 2 2 28.295 56.59 0.308 6.59 12 14.6 3.2
75 1 2 3 28.784 57.568 0.313 6.34 12 65.2 60.8
76 2 1 3 28.784 57.568 0.313 6.34 12 65.1 60.6
77 1 6 1 28.802 57.604 0.313 6.33 12 44.4 28.2
78 6 1 1 28.802 57.604 0.313 6.33 12 39.7 22.5
79 4 4 0 28.97 57.939 0.314 6.25 6 110.3 85.9
80 1 5 2 29.29 58.58 0.318 6.09 12 10.1 1.4
81 5 1 2 29.29 58.58 0.318 6.09 12 23.1 7.3
82 3 5 0 29.299 58.598 0.318 6.09 6 32.4 7.2
83 5 3 0 29.299 58.598 0.318 6.09 6 17.9 2.2
84 7 0 0 29.299 58.598 0.318 6.09 6 4.1 0.1
85 3 0 3 29.443 58.885 0.319 6.02 12 11.9 1.9
86 2 6 0 30.273 60.546 0.327 5.66 6 19.2 2.4
87 6 2 0 30.273 60.546 0.327 5.66 6 21.2 2.9
88 2 2 3 30.414 60.828 0.329 5.6 12 9.7 1.2
89 4 4 1 30.432 60.863 0.329 5.59 12 8.5 0.9
90 1 3 3 30.734 61.468 0.332 5.47 12 29.7 10.9
91 3 1 3 30.734 61.468 0.332 5.47 12 41.3 21.1
92 3 5 1 30.751 61.502 0.332 5.46 12 50.3 31.2
93 5 3 1 30.751 61.502 0.332 5.46 12 38.0 17.8
94 7 0 1 30.751 61.502 0.332 5.46 12 58.9 42.8
95 6 0 2 30.904 61.807 0.333 5.4 12 59.8 43.7
96 3 4 2 31.221 62.441 0.336 5.28 12 16.7 3.3
97 4 3 2 31.221 62.441 0.336 5.28 12 9.5 1.1
98 4 0 3 31.682 63.363 0.341 5.12 12 79.5 73.1
99 2 6 1 31.699 63.397 0.341 5.11 12 33.6 13.0
100 6 2 1 31.699 63.397 0.341 5.11 12 32.3 12.0
101 2 5 2 31.849 63.697 0.343 5.06 12 19.4 4.3
102 5 2 2 31.849 63.697 0.343 5.06 12 31.9 11.7
103 1 7 0 31.857 63.714 0.343 5.06 6 44.0 11.0
104 7 1 0 31.857 63.714 0.343 5.06 6 69.4 27.5
105 2 3 3 32.614 65.228 0.35 4.8 12 41.8 19.0
106 3 2 3 32.614 65.228 0.35 4.8 12 38.9 16.4
107 1 6 2 33.085 66.171 0.354 4.66 12 21.2 4.7
108 6 1 2 33.085 66.171 0.354 4.66 12 21.9 5.0
109 4 5 0 33.094 66.187 0.354 4.66 6 15.6 1.3
110 5 4 0 33.094 66.187 0.354 4.66 6 15.5 1.3
111 1 4 3 33.228 66.456 0.356 4.62 12 18.8 3.7
112 4 1 3 33.228 66.456 0.356 4.62 12 10.4 1.1
113 1 7 1 33.244 66.489 0.356 4.61 12 10.5 1.1
114 7 1 1 33.244 66.489 0.356 4.61 12 7.9 0.7
115 3 6 0 33.703 67.406 0.36 4.48 6 19.4 1.9
116 6 3 0 33.703 67.406 0.36 4.48 6 26.4 3.5
117 8 0 0 34.006 68.011 0.363 4.4 6 53.4 14.2
118 5 0 3 34.439 68.878 0.367 4.28 12 21.7 4.6
119 4 5 1 34.455 68.91 0.367 4.28 12 28.4 7.8
120 5 4 1 34.455 68.91 0.367 4.28 12 17.3 2.9
121 4 4 2 34.599 69.198 0.369 4.24 12 106.6 109.0
122 3 5 2 34.898 69.796 0.371 4.17 12 25.7 6.2
123 5 3 2 34.898 69.796 0.371 4.17 12 9.9 0.9
124 7 0 2 34.898 69.796 0.371 4.17 12 36.5 12.6
125 2 7 0 34.906 69.812 0.371 4.17 6 35.1 5.8
126 7 2 0 34.906 69.812 0.371 4.17 6 16.4 1.3
127 3 3 3 35.037 70.074 0.373 4.14 12 4.2 0.2
128 3 6 1 35.053 70.106 0.373 4.13 12 20.7 4.0
129 6 3 1 35.053 70.106 0.373 4.13 12 19.6 3.6
130 2 4 3 35.334 70.668 0.375 4.07 12 8.6 0.7
131 4 2 3 35.334 70.668 0.375 4.07 12 16.7 2.6
132 8 0 1 35.35 70.701 0.376 4.06 12 112.1 115.3
133 2 6 2 35.788 71.576 0.38 3.96 12 18.3 3.0
134 6 2 2 35.788 71.576 0.38 3.96 12 14.1 1.8
135 1 5 3 36.22 72.439 0.384 3.87 12 38.7 13.1
136 5 1 3 36.22 72.439 0.384 3.87 12 41.2 14.9
137 2 7 1 36.236 72.471 0.384 3.87 12 40.6 14.5
138 7 2 1 36.236 72.471 0.384 3.87 12 31.0 8.4
139 0 0 4 36.352 72.705 0.385 3.85 2 132.3 25.3
140 1 0 4 36.645 73.291 0.387 3.79 12 17.3 2.6
141 1 8 0 36.677 73.354 0.388 3.78 6 8.0 0.3
142 8 1 0 36.677 73.354 0.388 3.78 6 16.3 1.1
143 1 1 4 37.228 74.457 0.393 3.68 12 54.7 24.8
144 1 7 2 37.252 74.504 0.393 3.67 12 45.5 17.2
145 7 1 2 37.252 74.504 0.393 3.67 12 62.1 32.0
146 5 5 0 37.26 74.52 0.393 3.67 6 7.6 0.2
147 2 0 4 37.519 75.037 0.395 3.63 12 24.6 5.0
148 4 6 0 37.55 75.1 0.396 3.62 6 26.7 2.9
149 6 4 0 37.55 75.1 0.396 3.62 6 26.9 3.0
150 6 0 3 37.677 75.354 0.397 3.6 12 4.8 0.2
151 3 4 3 37.966 75.932 0.399 3.55 12 52.3 22.0
152 4 3 3 37.966 75.932 0.399 3.55 12 39.8 12.7
153 1 8 1 37.982 75.964 0.399 3.55 12 27.0 5.8
154 8 1 1 37.982 75.964 0.399 3.55 12 49.7 19.8
155 1 2 4 38.385 76.769 0.403 3.48 12 18.6 2.7
156 2 1 4 38.385 76.769 0.403 3.48 12 8.0 0.5
157 4 5 2 38.408 76.817 0.403 3.48 12 11.5 1.0
158 5 4 2 38.408 76.817 0.403 3.48 12 5.9 0.3
159 3 7 0 38.416 76.832 0.403 3.48 6 29.8 3.5
160 7 3 0 38.416 76.832 0.403 3.48 6 15.8 1.0
161 2 5 3 38.542 77.084 0.404 3.46 12 27.7 6.0
162 5 2 3 38.542 77.084 0.404 3.46 12 15.8 1.9
163 5 5 1 38.558 77.116 0.405 3.46 12 7.0 0.4
164 4 6 1 38.845 77.69 0.407 3.41 12 7.8 0.5
165 6 4 1 38.845 77.69 0.407 3.41 12 12.7 1.2
166 3 0 4 38.959 77.917 0.408 3.4 12 37.1 10.6
167 3 6 2 38.982 77.964 0.408 3.39 12 59.0 26.7
168 6 3 2 38.982 77.964 0.408 3.39 12 64.4 31.8
169 9 0 0 38.99 77.98 0.408 3.39 6 57.8 12.8
170 8 0 2 39.268 78.536 0.411 3.35 12 41.1 12.8
171 1 6 3 39.686 79.373 0.415 3.29 12 31.7 7.5
172 6 1 3 39.686 79.373 0.415 3.29 12 20.9 3.3
173 3 7 1 39.702 79.404 0.415 3.29 12 45.5 15.4
174 7 3 1 39.702 79.404 0.415 3.29 12 39.7 11.7
175 2 2 4 39.815 79.63 0.416 3.28 12 33.3 8.2
176 2 8 0 39.846 79.693 0.416 3.27 6 28.9 3.1
177 8 2 0 39.846 79.693 0.416 3.27 6 31.2 3.6
178 1 3 4 40.1 80.199 0.418 3.24 12 9.0 0.6
179 3 1 4 40.1 80.199 0.418 3.24 12 5.4 0.2
180 2 7 2 40.123 80.246 0.418 3.24 12 25.3 4.7
181 7 2 2 40.123 80.246 0.418 3.24 12 9.6 0.7
182 9 0 1 40.271 80.541 0.42 3.22 12 20.4 3.0
183 4 0 4 40.95 81.9 0.425 3.14 12 49.6 17.5
184 4 4 3 41.105 82.21 0.427 3.13 12 2.7 0.1
185 2 8 1 41.12 82.241 0.427 3.13 12 32.1 7.3
186 8 2 1 41.12 82.241 0.427 3.13 12 18.3 2.4
187 3 5 3 41.387 82.775 0.429 3.1 12 38.3 10.3
188 5 3 3 41.387 82.775 0.429 3.1 12 32.1 7.2
189 7 0 3 41.387 82.775 0.429 3.1 12 52.4 19.2
190 2 3 4 41.797 83.594 0.433 3.06 12 50.0 17.3
191 3 2 4 41.797 83.594 0.433 3.06 12 54.5 20.5
192 1 8 2 41.82 83.64 0.433 3.06 12 21.8 3.3
193 8 1 2 41.82 83.64 0.433 3.06 12 19.9 2.7
194 1 9 0 41.828 83.655 0.433 3.05 6 12.4 0.5
195 5 6 0 41.828 83.655 0.433 3.05 6 20.2 1.4
196 6 5 0 41.828 83.655 0.433 3.05 6 7.2 0.2
197 9 1 0 41.828 83.655 0.433 3.05 6 10.5 0.4
198 2 6 3 42.233 84.465 0.436 3.02 12 47.1 15.1
199 6 2 3 42.233 84.465 0.436 3.02 12 48.8 16.2
200 1 4 4 42.36 84.72 0.437 3.01 12 13.1 1.2
201 4 1 4 42.36 84.72 0.437 3.01 12 15.7 1.7
202 5 5 2 42.383 84.766 0.438 3.0 12 8.5 0.5
203 4 7 0 42.391 84.781 0.438 3.0 6 37.6 4.8
204 7 4 0 42.391 84.781 0.438 3.0 6 45.6 7.0
205 4 6 2 42.664 85.328 0.44 2.98 12 34.6 8.1
206 6 4 2 42.664 85.328 0.44 2.98 12 36.3 8.9
207 1 9 1 43.091 86.182 0.443 2.95 12 12.4 1.0
208 5 6 1 43.091 86.182 0.443 2.95 12 31.0 6.4
209 6 5 1 43.091 86.182 0.443 2.95 12 23.4 3.7
210 9 1 1 43.091 86.182 0.443 2.95 12 8.7 0.5
211 5 0 4 43.483 86.966 0.447 2.92 12 23.6 3.7
212 3 7 2 43.506 87.012 0.447 2.92 12 13.4 1.2
213 7 3 2 43.506 87.012 0.447 2.92 12 14.8 1.5
214 3 8 0 43.514 87.027 0.447 2.92 6 5.9 0.1
215 8 3 0 43.514 87.027 0.447 2.92 6 3.8 0.0
216 1 7 3 43.637 87.273 0.448 2.91 12 7.3 0.4
217 7 1 3 43.637 87.273 0.448 2.91 12 4.4 0.1
218 4 7 1 43.652 87.304 0.448 2.91 12 7.9 0.4
219 7 4 1 43.652 87.304 0.448 2.91 12 10.6 0.7
220 3 3 4 44.044 88.087 0.451 2.88 12 17.5 2.0
221 9 0 2 44.067 88.133 0.451 2.88 12 31.0 6.2
222 2 4 4 44.324 88.648 0.454 2.86 12 23.2 3.5
223 4 2 4 44.324 88.648 0.454 2.86 12 27.9 5.0
224 10 0 0 44.354 88.709 0.454 2.86 6 6.1 0.1
225 4 5 3 44.757 89.514 0.457 2.84 12 9.7 0.6
226 5 4 3 44.757 89.514 0.457 2.84 12 8.5 0.5
227 3 8 1 44.772 89.545 0.457 2.84 12 40.1 10.3
228 8 3 1 44.772 89.545 0.457 2.84 12 28.2 5.1
229 2 8 2 44.907 89.814 0.458 2.83 12 26.7 4.6
230 8 2 2 44.907 89.814 0.458 2.83 12 18.1 2.1
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 4.009 8.018 11.01827 15.8 1.7 1.7 5.6
2 1 1 0 6.955 13.91 6.3614 509.1 55.2 55.7 5.6
3 2 0 0 8.037 16.075 5.50913 25.2 2.7 2.8 5.6
4 1 0 1 9.43 18.861 4.70112 648.2 70.2 70.7 5.6
5 1 2 0 10.659 21.318 4.16451 133.8 14.5 14.6 5.6
6 2 0 1 11.756 23.511 3.78075 13.8 1.5 1.5 5.6
7 3 0 0 12.106 24.213 3.67276 465.5 50.4 50.6 5.6
8 2 1 1 13.71 27.42 3.25007 922.8 100.0 100.0 5.6
9 3 0 1 14.88 29.76 2.99955 36.8 4.0 4.0 5.6
10 4 0 0 16.239 32.477 2.75457 300.8 32.6 32.5 5.6
11 3 1 1 17.001 34.003 2.63438 158.3 17.2 17.1 5.7
12 0 0 2 17.24 34.48 2.599 263.7 28.6 28.4 5.7
13 1 0 2 17.729 35.457 2.52958 78.0 8.4 8.4 5.7
14 4 0 1 18.45 36.9 2.43393 305.3 33.1 32.8 5.7
15 4 1 0 18.685 37.37 2.40438 30.0 3.3 3.2 5.7
16 2 3 1 19.807 39.614 2.27322 90.3 9.8 9.7 5.7
17 1 2 2 20.448 40.896 2.20486 12.5 1.4 1.3 5.7
18 4 1 1 20.67 41.339 2.18223 75.7 8.2 8.1 5.7
19 3 3 0 21.301 42.601 2.12047 239.0 25.9 25.5 5.7
20 5 0 1 22.313 44.625 2.02886 37.8 4.1 4.0 5.7
21 2 2 2 22.503 45.006 2.01257 16.1 1.7 1.7 5.7
22 5 1 0 22.907 45.814 1.97894 21.4 2.3 2.3 5.7
23 4 0 2 24.046 48.093 1.89038 96.2 10.4 10.2 5.7
24 5 1 1 24.613 49.227 1.84944 22.0 2.4 2.3 5.7
25 2 3 2 25.156 50.312 1.81206 107.7 11.7 11.4 5.8
26 5 2 0 25.886 51.772 1.76433 141.3 15.3 14.9 5.8
27 3 4 1 26.764 53.529 1.71051 64.9 7.0 6.8 5.8
28 5 2 1 27.455 54.909 1.67072 45.3 4.9 4.8 5.8
29 2 0 3 27.777 55.554 1.65285 29.8 3.2 3.1 5.8
30 3 3 2 27.958 55.916 1.643 29.2 3.2 3.1 5.8
31 1 2 3 28.784 57.568 1.59973 172.1 18.7 18.1 5.8
32 4 4 0 28.97 57.939 1.59035 85.9 9.3 9.0 5.8
33 5 3 0 29.299 58.598 1.57404 18.3 2.0 1.9 5.8
34 7 0 1 30.751 61.502 1.50648 123.9 13.4 12.9 5.8
35 6 0 2 30.904 61.807 1.49978 43.7 4.7 4.6 5.8
36 4 0 3 31.682 63.363 1.46665 98.2 10.6 10.2 5.9
37 7 1 0 31.857 63.714 1.45941 54.5 5.9 5.7 5.9
38 2 3 3 32.614 65.228 1.42915 35.4 3.8 3.7 5.9
39 6 1 2 33.085 66.171 1.41106 12.3 1.3 1.3 5.9
40 8 0 0 34.006 68.011 1.37728 14.2 1.5 1.5 5.9
41 4 5 1 34.455 68.91 1.36149 15.3 1.7 1.6 5.9
42 4 4 2 34.599 69.198 1.35654 109.0 11.8 11.2 5.9
43 7 0 2 34.898 69.796 1.34637 26.8 2.9 2.8 5.9
44 8 0 1 35.35 70.701 1.33134 117.9 12.8 12.1 5.9
45 2 7 1 36.236 72.471 1.30311 50.9 5.5 5.2 5.9
46 0 0 4 36.352 72.705 1.2995 25.3 2.7 2.6 6.0
47 7 1 2 37.252 74.504 1.27251 74.1 8.0 7.6 6.0
48 3 4 3 37.966 75.932 1.25209 60.3 6.5 6.1 6.0
49 6 3 2 38.982 77.964 1.22446 81.9 8.9 8.3 6.0
50 8 0 2 39.268 78.536 1.21697 12.8 1.4 1.3 6.0
51 7 3 1 39.702 79.404 1.20583 37.9 4.1 3.8 6.0
52 4 0 4 40.95 81.9 1.17528 17.5 1.9 1.8 6.1
53 2 8 1 41.12 82.241 1.17127 9.7 1.0 1.0 6.1
54 7 0 3 41.387 82.775 1.16507 36.7 4.0 3.7 6.1
55 3 2 4 41.797 83.594 1.15572 43.8 4.7 4.4 6.1
56 6 2 3 42.233 84.465 1.14601 31.3 3.4 3.1 6.1
57 7 4 0 42.391 84.781 1.14254 11.9 1.3 1.2 6.1
58 6 4 2 42.664 85.328 1.13661 16.9 1.8 1.7 6.1
59 6 5 1 43.091 86.182 1.12753 11.6 1.3 1.2 6.1
60 3 8 1 44.772 89.545 1.09369 15.4 1.7 1.5 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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