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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POTASSICRICHTERITE
1, Sr, f-amphiboles, sf-glaucophane
[Mg(4.87)Fe(0.13)Mn(0.05)][(Na(1.43)Ca(0.35)Sr(0.3)]K(0.87)Si(8)O(22)(OH)(2.2)
Monoclinic C 2/m Z = 2
R =0.0321 NR =594
28 .8 .1900
Ref.Str.:
Sokolova E.N., Kabalov Yu.K., McCammon C., Schneider J., Konev A.A. (2000)
* Mineral. Mag., v. 64, 19-23
Reserv:
Rietveld structure refinement and Mossbauer spectroscopy. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.0325 alpha = 90.0
b = 17.977 beta = 104.7
c = 5.2698 gamma = 90.0
Unit cell volume (cub. angs.) = 919.32
Molar volume ( cub.cm/mol.) = 276.87
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.274 0.088 0.3001 1.3 Si = 1.00
2 0.285 0.1712 0.8028 1.2 Si = 1.00
3 0.0 0.09 0.5 1.3 Mg = 1.00
4 0.0 0.1802 0.0 1.0 Mg = 0.92, Fe = 0.08
5 0.0 0.0 0.0 0.8 Mg = 1.00
6 0.0 0.2795 0.5 1.6 Na = 0.68, Ca = 0.18, Sr = 0.14
7 0.0 0.5 0.0 1.7 K = 0.92, Na = 0.08
8 0.1107 0.088 0.2153 0.9 O = 1.00
9 0.1154 0.172 0.7143 1.4 O = 1.00
10 0.1066 0.0 0.719 0.6 O = 1.00
11 0.3594 0.2486 0.7954 1.0 O = 1.00
12 0.3324 0.128 0.0934 1.1 O = 1.00
13 0.3364 0.117 0.6053 1.7 O = 1.00
14 0.3292 0.0 0.3085 1.3 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.274 0.088 0.3001
2 2 0.285 0.1712 0.8028
3 3 0.0 0.09 0.5
4 4 0.0 0.1802 0.0
5 5 0.0 0.0 0.0
6 6 0.0 0.2795 0.5
7 7 0.0 0.5 0.0
8 8 0.1107 0.088 0.2153
9 9 0.1154 0.172 0.7143
10 10 0.1066 0.0 0.719
11 11 0.3594 0.2486 0.7954
12 12 0.3324 0.128 0.0934
13 13 0.3364 0.117 0.6053
14 14 0.3292 0.0 0.3085
15 1 0.726 0.912 0.6999
16 2 0.715 0.8288 0.1972
17 3 0.0 0.91 0.5
18 4 0.0 0.8198 0.0
19 6 0.0 0.7205 0.5
20 8 0.8893 0.912 0.7847
21 9 0.8846 0.828 0.2857
22 10 0.8934 0.0 0.281
23 11 0.6406 0.7514 0.2046
24 12 0.6676 0.872 0.9066
25 13 0.6636 0.883 0.3947
26 14 0.6708 0.0 0.6915
27 1 0.274 0.912 0.3001
28 2 0.285 0.8288 0.8028
29 8 0.1107 0.912 0.2153
30 9 0.1154 0.828 0.7143
31 11 0.3594 0.7514 0.7954
32 12 0.3324 0.872 0.0934
33 13 0.3364 0.883 0.6053
34 1 0.726 0.088 0.6999
35 2 0.715 0.1712 0.1972
36 8 0.8893 0.088 0.7847
37 9 0.8846 0.172 0.2857
38 11 0.6406 0.2486 0.2046
39 12 0.6676 0.128 0.9066
40 13 0.6636 0.117 0.3947
41 1 0.774 0.412 0.3001
42 2 0.785 0.3288 0.8028
43 3 0.5 0.41 0.5
44 4 0.5 0.3198 0.0
45 5 0.5 0.5 0.0
46 6 0.5 0.2205 0.5
47 7 0.5 0.0 0.0
48 8 0.6107 0.412 0.2153
49 9 0.6154 0.328 0.7143
50 10 0.6066 0.5 0.719
51 11 0.8594 0.2514 0.7954
52 12 0.8324 0.372 0.0934
53 13 0.8364 0.383 0.6053
54 14 0.8292 0.5 0.3085
55 1 0.226 0.588 0.6999
56 2 0.215 0.6712 0.1972
57 3 0.5 0.59 0.5
58 4 0.5 0.6802 0.0
59 6 0.5 0.7795 0.5
60 8 0.3893 0.588 0.7847
61 9 0.3846 0.672 0.2857
62 10 0.3934 0.5 0.281
63 11 0.1406 0.7486 0.2046
64 12 0.1676 0.628 0.9066
65 13 0.1636 0.617 0.3947
66 14 0.1708 0.5 0.6915
67 1 0.774 0.588 0.3001
68 2 0.785 0.6712 0.8028
69 8 0.6107 0.588 0.2153
70 9 0.6154 0.672 0.7143
71 11 0.8594 0.7486 0.7954
72 12 0.8324 0.628 0.0934
73 13 0.8364 0.617 0.6053
74 1 0.226 0.412 0.6999
75 2 0.215 0.3288 0.1972
76 8 0.3893 0.412 0.7847
77 9 0.3846 0.328 0.2857
78 11 0.1406 0.2514 0.2046
79 12 0.1676 0.372 0.9066
80 13 0.1636 0.383 0.3947
X-ray density (g/cm cub.) = 3.05
MU (1/cm) = 190.354 Mass attenuation coefficient (cm**2/g) = 62.506
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.1 4
1.585 8
1.5397 12
1.6551 13
1.673 14
2 Si 2.1 4
1.6462 9
1.5841 11
1.6748 12
1.6034 13
3 Mg 2.52 6
2.0812 8
2.0311 9
2.1135 10
2.1135 10
2.0812 8
2.0311 9
4 Mg ,Fe 2.592 6
2.1514 8
2.1245 9
2.1514 8
2.1245 9
2.0047 11
2.0047 11
5 Mg 2.52 6
2.0938 8
2.0348 10
2.0938 8
2.0348 10
2.0938 8
2.0938 8
6 Na ,Ca ,Sr 3.072 8
2.3847 9
2.3847 9
2.4047 11
2.8905 12
2.6317 13
2.4047 11
2.8905 12
2.6317 13
7 K ,Na 3.228 10
2.9639 12
3.1163 13
2.6444 14
2.9639 12
3.1163 13
2.6444 14
2.9639 12
3.1163 13
2.9639 12
3.1163 13
8 O 3.264 12
3.0223 9
3.0522 9
3.0993 10
3.048 10
2.5694 12
2.6946 13
2.6463 14
2.7854 10
3.164 8
2.7431 8
2.8267 9
2.9547 11
9 O 3.264 11
3.0522 8
3.0223 8
3.0936 10
2.746 11
2.6738 12
2.621 13
2.8267 8
2.7944 9
3.0616 11
2.9062 11
3.1082 11
10 O 3.264 9
3.048 8
3.0993 8
3.0936 9
2.7854 8
2.7198 10
3.048 8
3.0993 8
3.0936 9
2.7854 8
11 O 3.264 9
2.746 9
2.7305 12
2.5566 13
3.0857 11
3.0616 9
2.9547 8
2.9062 9
3.1082 9
3.0886 12
12 O 3.264 7
2.5694 8
2.6738 9
2.7305 11
2.695 13
2.5902 13
2.5689 14
3.0886 11
13 O 3.264 6
2.6946 8
2.621 9
2.5566 11
2.5902 12
2.695 12
2.6112 14
14 O 3.264 6
2.6463 8
2.5689 12
2.6112 13
2.6463 8
2.5689 12
2.6112 13
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 5.711 11.422 0.056 199.0 2 26.6 33.2
2 1 1 0 6.012 12.025 0.059 179.32 4 37.9 122.2
3 1 3 0 10.104 20.208 0.098 62.07 4 6.0 1.0
4 0 0 1 10.106 20.213 0.098 62.04 2 3.9 0.2
5 1 1 -1 10.555 21.11 0.102 56.7 4 39.5 41.9
6 2 0 0 10.623 21.246 0.103 55.95 2 39.5 20.7
7 0 4 0 11.48 22.96 0.111 47.6 2 86.6 84.5
8 0 2 1 11.638 23.276 0.113 46.26 4 3.4 0.3
9 2 2 0 12.092 24.185 0.117 42.7 4 4.6 0.4
10 2 0 -1 12.703 25.407 0.123 38.49 2 16.1 2.3
11 1 1 1 12.917 25.835 0.125 37.16 4 57.0 57.1
12 1 3 -1 13.356 26.712 0.129 34.63 4 52.1 44.5
13 2 2 -1 13.968 27.935 0.135 31.49 4 21.2 6.7
14 1 3 1 15.317 30.633 0.148 25.86 4 158.9 309.2
15 1 5 0 15.385 30.77 0.148 25.61 4 20.3 5.0
16 0 4 1 15.387 30.774 0.148 25.61 4 24.0 7.0
17 2 4 0 15.741 31.481 0.152 24.38 4 154.8 276.4
18 3 1 0 16.318 32.635 0.157 22.56 4 134.0 191.7
19 2 0 1 16.556 33.111 0.159 21.86 2 18.9 1.8
20 3 1 -1 16.961 33.923 0.163 20.74 4 61.2 36.8
21 2 4 -1 17.253 34.506 0.166 19.99 4 14.0 1.9
22 0 6 0 17.37 34.739 0.167 19.7 2 14.0 0.9
23 2 2 1 17.567 35.134 0.169 19.22 4 149.9 204.2
24 1 5 -1 17.753 35.506 0.17 18.78 4 78.9 55.4
25 3 3 0 18.315 36.629 0.176 17.54 4 97.5 78.9
26 3 3 -1 18.899 37.798 0.181 16.37 4 140.5 152.9
27 1 5 1 19.314 38.627 0.185 15.6 4 217.7 350.0
28 1 1 -2 20.066 40.133 0.192 14.33 4 16.3 1.8
29 0 6 1 20.26 40.521 0.194 14.03 4 146.2 141.8
30 2 4 1 20.339 40.677 0.194 13.91 4 28.8 5.5
31 2 6 0 20.54 41.081 0.196 13.6 4 27.4 4.8
32 0 0 2 20.546 41.091 0.196 13.6 2 83.5 22.4
33 2 0 -2 20.646 41.291 0.197 13.45 2 297.4 281.4
34 1 7 0 21.117 42.235 0.201 12.79 4 18.2 2.0
35 0 2 2 21.395 42.789 0.204 12.42 4 1.8 0.0
36 4 0 -1 21.464 42.928 0.205 12.33 2 23.3 1.6
37 2 2 -2 21.491 42.983 0.205 12.29 4 30.3 5.3
38 3 1 1 21.503 43.006 0.205 12.28 4 14.6 1.2
39 4 0 0 21.635 43.27 0.206 12.11 2 71.9 14.8
40 2 6 -1 21.764 43.528 0.207 11.95 4 36.7 7.6
41 1 3 -2 21.768 43.536 0.207 11.94 4 23.0 3.0
42 3 5 0 21.837 43.673 0.208 11.86 4 91.7 47.2
43 4 2 -1 22.284 44.569 0.212 11.33 4 119.0 76.0
44 3 5 -1 22.343 44.687 0.213 11.26 4 130.9 91.3
45 4 2 0 22.451 44.901 0.213 11.14 4 4.2 0.1
46 1 1 2 22.831 45.662 0.217 10.73 4 13.4 0.9
47 1 7 -1 22.977 45.955 0.218 10.57 4 131.8 86.9
48 3 1 -2 23.015 46.029 0.219 10.53 4 102.0 51.9
49 3 3 1 23.119 46.237 0.219 10.43 4 54.7 14.8
50 0 8 0 23.456 46.912 0.223 10.09 2 52.2 6.5
51 0 4 2 23.795 47.589 0.226 9.77 4 44.5 9.1
52 2 4 -2 23.884 47.767 0.226 9.69 4 92.5 39.2
53 1 7 1 24.259 48.517 0.23 9.35 4 35.7 5.6
54 2 6 1 24.374 48.748 0.231 9.25 4 180.2 142.2
55 1 3 2 24.378 48.755 0.231 9.25 4 8.9 0.3
56 3 3 -2 24.552 49.105 0.232 9.1 4 72.8 22.8
57 4 4 -1 24.616 49.232 0.233 9.04 4 8.1 0.3
58 4 4 0 24.77 49.541 0.234 8.92 4 6.9 0.2
59 1 5 -2 24.89 49.78 0.235 8.82 4 76.0 24.1
60 0 8 1 25.786 51.572 0.243 8.14 4 6.9 0.2
61 2 0 2 25.841 51.682 0.244 8.1 2 193.1 71.4
62 2 8 0 26.019 52.037 0.245 7.97 4 11.6 0.5
63 4 0 -2 26.092 52.184 0.246 7.92 2 164.0 50.4
64 3 5 1 26.116 52.233 0.246 7.9 4 88.1 29.0
65 3 7 0 26.405 52.81 0.249 7.71 4 61.4 13.7
66 4 0 1 26.534 53.067 0.25 7.62 2 8.5 0.1
67 2 2 2 26.557 53.114 0.25 7.61 4 6.7 0.2
68 4 2 -2 26.803 53.606 0.252 7.45 4 13.6 0.6
69 3 7 -1 26.846 53.692 0.252 7.42 4 3.0 0.0
70 5 1 -1 26.895 53.789 0.253 7.39 4 11.4 0.5
71 2 8 -1 27.049 54.098 0.254 7.3 4 16.6 1.0
72 1 9 0 27.206 54.412 0.256 7.2 4 88.1 26.4
73 4 2 1 27.237 54.474 0.256 7.18 4 33.7 3.9
74 1 5 2 27.273 54.546 0.256 7.16 4 10.6 0.4
75 3 5 -2 27.434 54.868 0.258 7.07 4 74.5 18.6
76 0 6 2 27.436 54.871 0.258 7.06 4 19.9 1.3
77 2 6 -2 27.516 55.032 0.258 7.02 4 23.6 1.8
78 5 1 0 27.616 55.232 0.259 6.96 4 132.3 57.6
79 4 6 -1 28.18 56.36 0.264 6.65 4 88.1 24.4
80 5 3 -1 28.277 56.554 0.265 6.6 4 30.4 2.9
81 4 6 0 28.32 56.641 0.265 6.57 4 19.6 1.2
82 2 4 2 28.631 57.262 0.268 6.41 4 43.7 5.8
83 1 9 -1 28.767 57.535 0.269 6.34 4 107.7 34.8
84 4 4 -2 28.865 57.73 0.27 6.3 4 59.4 10.5
85 5 3 0 28.976 57.951 0.271 6.24 4 65.5 12.7
86 1 7 -2 29.102 58.204 0.272 6.18 4 43.4 5.5
87 4 4 1 29.278 58.557 0.273 6.1 4 31.9 2.9
88 2 8 1 29.309 58.619 0.274 6.08 4 8.6 0.2
89 0 10 0 29.839 59.677 0.278 5.84 2 134.7 25.1
90 1 9 1 29.869 59.738 0.278 5.83 4 74.2 15.2
91 3 1 2 30.09 60.18 0.28 5.74 4 43.6 5.2
92 3 7 1 30.21 60.421 0.281 5.68 4 15.0 0.6
93 5 1 -2 30.392 60.785 0.283 5.61 4 57.0 8.6
94 2 0 -3 30.779 61.557 0.286 5.45 2 13.9 0.2
95 1 1 -3 30.884 61.768 0.287 5.41 4 33.7 2.9
96 5 5 -1 30.92 61.841 0.287 5.4 4 21.8 1.2
97 1 7 2 31.267 62.534 0.29 5.27 4 31.0 2.4
98 3 3 2 31.382 62.763 0.291 5.22 4 16.6 0.7
99 3 7 -2 31.415 62.83 0.291 5.21 4 6.9 0.1
100 2 2 -3 31.42 62.84 0.291 5.21 4 7.6 0.1
101 5 5 0 31.583 63.165 0.293 5.15 4 23.4 1.3
102 5 3 -2 31.677 63.354 0.294 5.12 4 3.4 0.0
103 3 9 0 31.756 63.511 0.294 5.09 4 14.8 0.5
104 0 0 3 31.765 63.529 0.294 5.09 2 1.8 0.0
105 0 10 1 31.843 63.686 0.295 5.06 4 34.0 2.8
106 2 6 2 31.891 63.783 0.295 5.04 4 5.8 0.1
107 2 10 0 32.047 64.093 0.297 4.99 4 46.9 5.2
108 0 8 2 32.051 64.101 0.297 4.99 4 41.7 4.1
109 3 1 -3 32.088 64.175 0.297 4.98 4 28.6 1.9
110 4 6 -2 32.111 64.222 0.297 4.97 4 5.9 0.1
111 2 8 -2 32.124 64.248 0.297 4.96 4 79.1 14.7
112 3 9 -1 32.149 64.298 0.297 4.96 4 72.1 12.2
113 1 3 -3 32.157 64.314 0.298 4.95 4 116.5 31.8
114 5 1 1 32.375 64.749 0.299 4.88 4 18.6 0.8
115 0 2 3 32.395 64.79 0.299 4.87 4 111.2 28.5
116 6 0 -1 32.418 64.836 0.3 4.87 2 3.4 0.0
117 4 6 1 32.5 64.999 0.3 4.84 4 214.1 105.1
118 4 8 -1 32.73 65.46 0.302 4.77 4 14.0 0.4
119 4 8 0 32.858 65.717 0.303 4.73 4 84.3 15.9
120 2 10 -1 32.955 65.911 0.304 4.7 4 3.5 0.0
121 6 2 -1 33.042 66.083 0.305 4.67 4 12.8 0.4
122 2 4 -3 33.303 66.606 0.307 4.59 4 34.9 2.6
123 3 3 -3 33.336 66.671 0.307 4.58 4 15.1 0.5
124 6 0 0 33.576 67.152 0.309 4.52 2 122.7 16.1
125 5 3 1 33.617 67.234 0.309 4.5 4 29.7 1.9
126 1 11 0 33.712 67.424 0.31 4.48 4 123.9 32.6
127 3 5 2 33.881 67.762 0.312 4.43 4 42.4 3.8
128 1 1 3 34.002 68.004 0.313 4.4 4 0.8 0.0
129 4 0 -3 34.115 68.23 0.314 4.37 2 24.2 0.6
130 5 5 -2 34.165 68.33 0.314 4.35 4 33.3 2.3
131 6 2 0 34.189 68.378 0.314 4.35 4 28.1 1.6
132 1 9 -2 34.19 68.38 0.314 4.35 4 8.8 0.2
133 0 4 3 34.249 68.499 0.315 4.33 4 5.9 0.1
134 1 5 -3 34.627 69.254 0.318 4.24 4 184.7 68.4
135 5 7 -1 34.662 69.323 0.318 4.23 4 70.0 9.8
136 4 2 -3 34.723 69.447 0.318 4.21 4 13.0 0.3
137 4 0 2 34.742 69.485 0.319 4.21 2 136.3 18.5
138 6 4 -1 34.879 69.758 0.32 4.17 4 9.4 0.2
139 2 10 1 34.986 69.972 0.321 4.15 4 70.4 9.7
140 6 0 -2 35.093 70.186 0.321 4.12 2 206.4 41.6
141 1 11 -1 35.1 70.2 0.321 4.12 4 9.8 0.2
142 3 9 1 35.208 70.416 0.322 4.1 4 16.8 0.5
143 1 3 3 35.216 70.431 0.322 4.09 4 22.4 1.0
144 5 7 0 35.287 70.574 0.323 4.08 4 3.4 0.0
145 4 2 2 35.346 70.692 0.323 4.06 4 25.5 1.3
146 6 2 -2 35.694 71.388 0.326 3.99 4 14.7 0.4
147 3 5 -3 35.766 71.531 0.327 3.97 4 21.1 0.8
148 6 4 0 35.998 71.997 0.329 3.92 4 39.1 2.8
149 5 5 1 36.038 72.076 0.329 3.91 4 106.9 21.1
150 1 11 1 36.094 72.188 0.329 3.9 4 34.6 2.2
151 2 8 2 36.177 72.353 0.33 3.88 4 2.2 0.0
152 1 9 2 36.188 72.375 0.33 3.88 4 99.0 18.0
153 3 9 -2 36.326 72.651 0.331 3.85 4 48.6 4.3
154 2 6 -3 36.33 72.661 0.331 3.85 4 215.8 84.9
155 4 8 -2 36.384 72.767 0.332 3.84 4 85.0 13.1
156 4 4 -3 36.521 73.043 0.333 3.81 4 18.8 0.6
157 0 12 0 36.66 73.321 0.334 3.78 2 203.4 37.1
158 4 8 1 36.751 73.501 0.334 3.77 4 20.8 0.8
159 2 0 3 36.892 73.783 0.336 3.74 2 3.7 0.0
160 4 4 2 37.131 74.262 0.337 3.7 4 118.8 24.7
161 0 6 3 37.242 74.485 0.338 3.68 4 67.6 8.0
162 5 1 -3 37.398 74.796 0.34 3.65 4 30.8 1.6
163 6 4 -2 37.473 74.945 0.34 3.63 4 61.0 6.4
164 3 7 2 37.476 74.953 0.34 3.63 4 28.8 1.4
165 2 2 3 37.481 74.962 0.34 3.63 4 47.3 3.8
166 0 10 2 37.508 75.017 0.34 3.63 4 32.1 1.8
167 2 10 -2 37.577 75.153 0.341 3.62 4 83.4 11.9
168 1 5 3 37.592 75.184 0.341 3.61 4 29.6 1.5
169 5 7 -2 37.749 75.497 0.342 3.59 4 5.0 0.0
170 3 11 0 37.821 75.643 0.343 3.57 4 77.8 10.2
171 6 6 -1 37.851 75.702 0.343 3.57 4 240.2 97.5
172 4 10 -1 38.143 76.285 0.345 3.52 4 52.6 4.6
173 3 11 -1 38.185 76.371 0.346 3.51 4 64.2 6.9
174 1 7 -3 38.193 76.385 0.346 3.51 4 55.7 5.2
175 4 10 0 38.263 76.526 0.346 3.5 4 77.7 10.0
176 6 0 1 38.404 76.809 0.347 3.48 2 12.6 0.1
177 0 12 1 38.486 76.972 0.348 3.47 4 37.0 2.2
178 5 3 -3 38.568 77.136 0.349 3.45 4 77.6 9.9
179 2 12 0 38.673 77.347 0.349 3.44 4 29.7 1.4
180 7 1 -1 38.769 77.538 0.35 3.42 4 14.1 0.3
181 6 6 0 38.937 77.875 0.351 3.4 4 24.0 0.9
182 6 2 1 38.986 77.971 0.352 3.39 4 63.4 6.5
183 2 4 3 39.23 78.46 0.354 3.36 4 19.4 0.6
184 3 7 -3 39.291 78.582 0.354 3.35 4 42.5 2.9
185 5 9 -1 39.388 78.776 0.355 3.33 4 38.1 2.3
186 4 6 -3 39.447 78.893 0.355 3.33 4 22.2 0.8
187 2 12 -1 39.515 79.03 0.356 3.32 4 53.7 4.5
188 5 7 1 39.555 79.11 0.356 3.31 4 9.1 0.1
189 7 3 -1 39.926 79.853 0.359 3.26 4 51.0 4.0
190 5 9 0 39.985 79.971 0.359 3.26 4 29.0 1.3
191 4 6 2 40.042 80.084 0.36 3.25 4 29.1 1.3
192 1 11 -2 40.094 80.189 0.36 3.24 4 9.1 0.1
193 7 1 0 40.325 80.651 0.362 3.21 4 69.2 7.3
194 6 6 -2 40.376 80.751 0.362 3.21 4 18.9 0.5
195 5 1 2 40.404 80.808 0.362 3.21 4 151.9 35.0
196 2 8 -3 40.414 80.828 0.362 3.2 4 18.9 0.5
197 6 4 1 40.716 81.432 0.365 3.17 4 10.5 0.2
198 1 13 0 40.795 81.591 0.365 3.16 4 0.5 0.0
199 7 1 -2 40.804 81.607 0.365 3.16 4 22.8 0.8
200 5 5 -3 40.877 81.754 0.366 3.15 4 96.2 13.8
201 3 1 3 40.973 81.946 0.367 3.14 4 3.9 0.0
202 3 11 1 41.059 82.118 0.367 3.13 4 22.9 0.8
203 1 7 3 41.066 82.132 0.367 3.13 4 52.0 4.0
204 6 0 -3 41.278 82.556 0.369 3.11 2 13.1 0.1
205 0 8 3 41.298 82.596 0.369 3.11 4 19.2 0.5
206 2 10 2 41.413 82.825 0.37 3.09 4 73.8 8.0
207 2 12 1 41.42 82.841 0.37 3.09 4 31.6 1.5
208 7 3 0 41.472 82.944 0.37 3.09 4 65.0 6.2
209 5 3 2 41.55 83.1 0.371 3.08 4 100.0 14.6
210 4 10 -2 41.612 83.223 0.371 3.08 4 47.9 3.3
211 6 2 -3 41.85 83.699 0.373 3.05 4 53.9 4.2
212 6 8 -1 41.89 83.781 0.373 3.05 4 33.0 1.6
213 7 3 -2 41.948 83.895 0.374 3.04 4 15.5 0.3
214 4 10 1 41.965 83.93 0.374 3.04 4 32.1 1.5
215 1 11 2 41.994 83.988 0.374 3.04 4 114.6 18.9
216 3 9 2 42.096 84.193 0.375 3.03 4 8.4 0.1
217 1 13 -1 42.099 84.199 0.375 3.03 4 25.5 0.9
218 2 6 3 42.101 84.202 0.375 3.03 4 120.4 20.8
219 3 3 3 42.116 84.232 0.375 3.03 4 19.9 0.6
220 3 11 -2 42.126 84.253 0.375 3.03 4 105.7 16.0
221 7 5 -1 42.218 84.436 0.376 3.02 4 157.7 35.5
222 5 9 -2 42.361 84.722 0.377 3.01 4 78.5 8.8
223 2 0 -4 42.763 85.525 0.38 2.97 2 31.4 0.7
224 1 9 -3 42.793 85.587 0.38 2.97 4 71.4 7.2
225 6 8 0 42.952 85.905 0.381 2.96 4 81.5 9.3
226 1 13 1 43.044 86.087 0.382 2.95 4 41.9 2.5
227 1 1 -4 43.327 86.653 0.384 2.93 4 114.9 18.3
228 2 2 -4 43.331 86.662 0.384 2.93 4 5.1 0.0
229 4 8 -3 43.452 86.905 0.384 2.92 4 21.3 0.6
230 3 1 -4 43.459 86.917 0.384 2.92 4 85.4 10.1
231 6 4 -3 43.558 87.115 0.385 2.91 4 15.7 0.3
232 6 6 1 43.568 87.136 0.385 2.91 4 70.2 6.8
233 7 5 0 43.75 87.5 0.387 2.9 4 20.8 0.6
234 5 5 2 43.828 87.655 0.387 2.9 4 58.0 4.6
235 0 12 2 43.834 87.669 0.387 2.89 4 117.1 18.8
236 3 9 -3 43.868 87.735 0.387 2.89 4 66.6 6.1
237 2 12 -2 43.9 87.8 0.388 2.89 4 200.4 54.9
238 4 8 2 44.038 88.076 0.389 2.88 4 8.2 0.1
239 5 9 1 44.127 88.253 0.389 2.88 4 2.6 0.0
240 0 14 0 44.153 88.307 0.389 2.87 2 30.7 0.6
241 7 5 -2 44.223 88.446 0.39 2.87 4 53.4 3.9
242 5 7 -3 44.295 88.591 0.39 2.87 4 0.4 0.0
243 6 8 -2 44.367 88.735 0.391 2.86 4 46.4 2.9
244 3 5 3 44.39 88.781 0.391 2.86 4 22.4 0.7
245 4 12 -1 44.449 88.898 0.391 2.86 4 20.4 0.6
246 1 3 -4 44.462 88.925 0.392 2.86 4 74.9 7.6
247 4 12 0 44.566 89.132 0.392 2.85 4 53.0 3.8
248 0 0 4 44.58 89.161 0.392 2.85 2 135.3 12.4
249 3 3 -4 44.594 89.188 0.392 2.85 4 50.6 3.4
250 3 13 0 44.705 89.409 0.393 2.84 4 35.9 1.7
251 4 0 -4 44.844 89.687 0.394 2.84 2 176.6 20.9
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 2 0 5.711 11.422 8.9885 33.2 9.5 9.7 5.6
2 1 1 0 6.012 12.025 8.53939 122.2 34.9 35.6 5.6
3 1 1 -1 10.555 21.11 4.88295 41.9 12.0 12.1 5.6
4 2 0 0 10.623 21.246 4.85206 20.7 5.9 6.0 5.6
5 0 4 0 11.48 22.96 4.49425 84.5 24.2 24.5 5.6
6 1 1 1 12.917 25.835 4.00125 57.1 16.3 16.5 5.6
7 1 3 -1 13.356 26.712 3.87215 44.5 12.7 12.9 5.6
8 2 2 -1 13.968 27.935 3.70572 6.7 1.9 1.9 5.6
9 1 3 1 15.317 30.633 3.38613 309.2 88.3 89.0 5.6
10 0 4 1 15.387 30.774 3.37107 12.0 3.4 3.4 5.6
11 2 4 0 15.741 31.481 3.29716 276.4 79.0 79.5 5.6
12 3 1 0 16.318 32.635 3.18358 191.7 54.8 55.1 5.6
13 3 1 -1 16.961 33.923 3.06608 36.8 10.5 10.6 5.7
14 2 2 1 17.567 35.134 2.96355 204.2 58.3 58.5 5.7
15 1 5 -1 17.753 35.506 2.93352 55.4 15.8 15.9 5.7
16 3 3 0 18.315 36.629 2.84646 78.9 22.5 22.6 5.7
17 3 3 -1 18.899 37.798 2.76155 152.9 43.7 43.7 5.7
18 1 5 1 19.314 38.627 2.70443 350.0 100.0 100.0 5.7
19 0 6 1 20.26 40.521 2.583 141.8 40.5 40.4 5.7
20 2 4 1 20.339 40.677 2.57348 5.5 1.6 1.6 5.7
21 0 0 2 20.546 41.091 2.54865 27.3 7.8 7.8 5.7
22 2 0 -2 20.646 41.291 2.53685 281.4 80.4 80.2 5.7
23 2 2 -2 21.491 42.983 2.44147 8.2 2.3 2.3 5.7
24 4 0 0 21.635 43.27 2.42603 14.8 4.2 4.2 5.7
25 2 6 -1 21.764 43.528 2.41234 10.6 3.0 3.0 5.7
26 3 5 0 21.837 43.673 2.40472 47.2 13.5 13.4 5.7
27 4 2 -1 22.284 44.569 2.35879 76.0 21.7 21.6 5.7
28 3 5 -1 22.343 44.687 2.35286 91.3 26.1 25.9 5.7
29 1 7 -1 22.977 45.955 2.29134 86.9 24.8 24.6 5.7
30 3 1 -2 23.015 46.029 2.28781 51.9 14.8 14.7 5.7
31 3 3 1 23.119 46.237 2.2781 14.8 4.2 4.2 5.7
32 0 8 0 23.456 46.912 2.24712 6.5 1.9 1.8 5.7
33 0 4 2 23.795 47.589 2.21698 9.1 2.6 2.6 5.7
34 2 4 -2 23.884 47.767 2.2092 39.2 11.2 11.1 5.7
35 1 7 1 24.259 48.517 2.17706 5.6 1.6 1.6 5.7
36 2 6 1 24.374 48.748 2.16737 142.5 40.7 40.3 5.7
37 3 3 -2 24.552 49.105 2.15261 22.8 6.5 6.4 5.7
38 1 5 -2 24.89 49.78 2.12522 24.1 6.9 6.8 5.7
39 2 0 2 25.841 51.682 2.0521 71.4 20.4 20.1 5.8
40 4 0 -2 26.092 52.184 2.03374 79.4 22.7 22.4 5.8
41 3 7 0 26.405 52.81 2.01132 13.7 3.9 3.9 5.8
42 1 9 0 27.206 54.412 1.95643 26.4 7.6 7.4 5.8
43 4 2 1 27.237 54.474 1.95437 3.9 1.1 1.1 5.8
44 3 5 -2 27.434 54.868 1.9414 19.9 5.7 5.6 5.8
45 5 1 0 27.616 55.232 1.92961 57.6 16.5 16.2 5.8
46 4 6 -1 28.18 56.36 1.89406 24.4 7.0 6.8 5.8
47 2 4 2 28.631 57.262 1.86671 5.8 1.7 1.6 5.8
48 1 9 -1 28.767 57.535 1.8586 34.8 9.9 9.7 5.8
49 4 4 -2 28.865 57.73 1.85286 10.5 3.0 2.9 5.8
50 5 3 0 28.976 57.951 1.84639 12.7 3.6 3.5 5.8
51 1 7 -2 29.102 58.204 1.83906 5.5 1.6 1.5 5.8
52 0 10 0 29.839 59.677 1.7977 25.1 7.2 7.0 5.8
53 1 9 1 29.869 59.738 1.79603 15.2 4.3 4.2 5.8
54 3 1 2 30.09 60.18 1.78407 5.2 1.5 1.4 5.8
55 5 1 -2 30.392 60.785 1.76799 8.6 2.5 2.4 5.8
56 2 10 0 32.047 64.093 1.68572 9.3 2.7 2.6 5.9
57 2 8 -2 32.124 64.248 1.68211 26.9 7.7 7.4 5.9
58 1 3 -3 32.157 64.314 1.68056 31.8 9.1 8.8 5.9
59 0 2 3 32.395 64.79 1.66954 28.5 8.1 7.9 5.9
60 4 6 1 32.5 64.999 1.66475 105.1 30.0 29.0 5.9
61 4 8 0 32.858 65.717 1.64858 15.9 4.5 4.4 5.9
62 6 0 0 33.576 67.152 1.61735 16.1 4.6 4.4 5.9
63 1 11 0 33.712 67.424 1.61158 32.6 9.3 9.0 5.9
64 3 5 2 33.881 67.762 1.60449 3.8 1.1 1.0 5.9
65 5 5 -2 34.165 68.33 1.59276 4.1 1.2 1.1 5.9
66 1 5 -3 34.627 69.254 1.5741 68.4 19.5 18.8 5.9
67 5 7 -1 34.662 69.323 1.57273 9.8 2.8 2.7 5.9
68 4 0 2 34.742 69.485 1.56954 18.5 5.3 5.1 5.9
69 2 10 1 34.986 69.972 1.56 9.7 2.8 2.7 5.9
70 6 0 -2 35.093 70.186 1.55584 41.7 11.9 11.4 5.9
71 5 5 1 36.038 72.076 1.52035 21.1 6.0 5.8 5.9
72 1 9 2 36.188 72.375 1.51493 18.0 5.1 4.9 5.9
73 2 6 -3 36.33 72.661 1.50979 89.2 25.5 24.3 6.0
74 4 8 -2 36.384 72.767 1.50788 13.1 3.8 3.6 6.0
75 0 12 0 36.66 73.321 1.49808 37.1 10.6 10.1 6.0
76 4 4 2 37.131 74.262 1.48177 24.7 7.1 6.7 6.0
77 0 6 3 37.242 74.485 1.47799 8.0 2.3 2.2 6.0
78 6 4 -2 37.473 74.945 1.47023 11.7 3.3 3.2 6.0
79 2 10 -2 37.577 75.153 1.46676 13.4 3.8 3.6 6.0
80 6 6 -1 37.851 75.702 1.4577 107.7 30.8 29.2 6.0
81 4 10 -1 38.143 76.285 1.44823 4.6 1.3 1.2 6.0
82 3 11 -1 38.185 76.371 1.44686 12.0 3.4 3.3 6.0
83 4 10 0 38.263 76.526 1.44437 10.0 2.9 2.7 6.0
84 5 3 -3 38.568 77.136 1.43472 9.9 2.8 2.7 6.0
85 6 2 1 38.986 77.971 1.42175 6.5 1.8 1.7 6.0
86 2 12 -1 39.515 79.03 1.40577 4.5 1.3 1.2 6.0
87 7 3 -1 39.926 79.853 1.39367 4.0 1.1 1.1 6.0
88 7 1 0 40.325 80.651 1.3822 7.3 2.1 2.0 6.1
89 5 1 2 40.404 80.808 1.37997 35.5 10.2 9.5 6.1
90 5 5 -3 40.877 81.754 1.36676 13.8 3.9 3.7 6.1
91 1 7 3 41.066 82.132 1.36157 4.0 1.1 1.1 6.1
92 2 10 2 41.413 82.825 1.35222 9.4 2.7 2.5 6.1
93 7 3 0 41.472 82.944 1.35063 6.2 1.8 1.6 6.1
94 5 3 2 41.55 83.1 1.34855 14.6 4.2 3.9 6.1
95 6 2 -3 41.85 83.699 1.34066 4.2 1.2 1.1 6.1
96 1 11 2 41.994 83.988 1.3369 20.4 5.8 5.4 6.1
97 2 6 3 42.101 84.202 1.33414 37.4 10.7 9.9 6.1
98 7 5 -1 42.218 84.436 1.33113 35.5 10.1 9.4 6.1
99 5 9 -2 42.361 84.722 1.32749 8.8 2.5 2.3 6.1
100 1 9 -3 42.793 85.587 1.31663 7.2 2.0 1.9 6.1
101 6 8 0 42.952 85.905 1.3127 9.3 2.7 2.5 6.1
102 1 1 -4 43.327 86.653 1.30358 18.3 5.2 4.8 6.1
103 3 1 -4 43.459 86.917 1.30041 10.1 2.9 2.7 6.1
104 6 6 1 43.568 87.136 1.29779 6.8 1.9 1.8 6.2
105 0 12 2 43.834 87.669 1.2915 23.4 6.7 6.2 6.2
106 3 9 -3 43.868 87.735 1.29072 6.1 1.7 1.6 6.2
107 2 12 -2 43.9 87.8 1.28995 54.9 15.7 14.5 6.2
108 7 5 -2 44.223 88.446 1.28247 3.9 1.1 1.0 6.2
109 6 8 -2 44.367 88.735 1.27916 3.6 1.0 0.9 6.2
110 1 3 -4 44.462 88.925 1.277 7.6 2.2 2.0 6.2
111 0 0 4 44.58 89.161 1.27433 19.6 5.6 5.1 6.2
112 4 0 -4 44.844 89.687 1.26843 20.9 6.0 5.5 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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