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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POLLUCITE
7, analogue
CsFeSi(2)O(6)
Cubic I a3d Z = 16
Ia3d
6 .2 .1906
Ref.Str.:
Harris L.A., Clark G.W., Yakel H.L. (1963)
* Amer. Mineral., 48, 100-109
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.66 alpha = 90.0
b = 13.66 beta = 90.0
c = 13.66 gamma = 90.0
Unit cell volume (cub. angs.) = 2548.9
Molar volume ( cub.cm/mol.) = 95.96
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.661 0.589 0.125 0.0 Si = 0.67, Fe = 0.33
2 0.125 0.125 0.125 0.0 Cs = 1.00
3 0.111 0.131 0.722 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.661 0.589 0.125
2 2 0.125 0.125 0.125
3 3 0.111 0.131 0.722
4 1 0.339 0.411 0.875
5 2 0.875 0.875 0.875
6 3 0.889 0.869 0.278
7 1 0.161 0.911 0.875
8 1 0.839 0.411 0.625
9 1 0.339 0.089 0.375
10 2 0.625 0.375 0.875
11 2 0.375 0.875 0.625
12 2 0.875 0.625 0.375
13 3 0.619 0.361 0.472
14 3 0.389 0.869 0.222
15 3 0.881 0.639 0.972
16 1 0.339 0.589 0.625
17 1 0.161 0.589 0.375
18 1 0.161 0.411 0.125
19 2 0.875 0.125 0.625
20 2 0.625 0.125 0.375
21 2 0.625 0.875 0.125
22 3 0.881 0.139 0.028
23 3 0.611 0.131 0.778
24 3 0.619 0.861 0.528
25 3 0.889 0.131 0.222
26 1 0.661 0.411 0.375
27 2 0.125 0.875 0.375
28 3 0.111 0.869 0.778
29 1 0.839 0.911 0.375
30 1 0.661 0.089 0.875
31 2 0.375 0.375 0.375
32 2 0.125 0.625 0.875
33 3 0.381 0.361 0.972
34 3 0.611 0.869 0.722
35 3 0.119 0.639 0.472
36 1 0.839 0.589 0.875
37 2 0.375 0.125 0.875
38 3 0.119 0.139 0.528
39 3 0.389 0.131 0.278
40 3 0.381 0.861 0.028
41 3 0.389 0.369 0.778
42 1 0.161 0.089 0.625
43 2 0.625 0.625 0.625
44 3 0.611 0.631 0.222
45 3 0.111 0.631 0.278
46 1 0.339 0.911 0.125
47 2 0.875 0.375 0.125
48 3 0.889 0.369 0.722
49 3 0.611 0.369 0.278
50 1 0.839 0.089 0.125
51 2 0.375 0.625 0.125
52 3 0.389 0.631 0.722
53 3 0.889 0.631 0.778
54 1 0.661 0.911 0.625
55 2 0.125 0.375 0.625
56 3 0.111 0.369 0.222
57 1 0.589 0.125 0.661
58 1 0.125 0.661 0.589
59 3 0.131 0.722 0.111
60 3 0.722 0.111 0.131
61 1 0.411 0.875 0.339
62 1 0.875 0.339 0.411
63 3 0.869 0.278 0.889
64 3 0.278 0.889 0.869
65 1 0.911 0.875 0.161
66 1 0.875 0.161 0.911
67 1 0.411 0.625 0.839
68 1 0.625 0.839 0.411
69 1 0.089 0.375 0.339
70 1 0.375 0.339 0.089
71 3 0.361 0.472 0.619
72 3 0.472 0.619 0.361
73 3 0.869 0.222 0.389
74 3 0.222 0.389 0.869
75 3 0.639 0.972 0.881
76 3 0.972 0.881 0.639
77 1 0.589 0.625 0.339
78 1 0.625 0.339 0.589
79 1 0.589 0.375 0.161
80 1 0.375 0.161 0.589
81 1 0.411 0.125 0.161
82 1 0.125 0.161 0.411
83 3 0.139 0.028 0.881
84 3 0.028 0.881 0.139
85 3 0.131 0.778 0.611
86 3 0.778 0.611 0.131
87 3 0.861 0.528 0.619
88 3 0.528 0.619 0.861
89 3 0.131 0.222 0.889
90 3 0.222 0.889 0.131
91 1 0.411 0.375 0.661
92 1 0.375 0.661 0.411
93 3 0.869 0.778 0.111
94 3 0.778 0.111 0.869
95 1 0.911 0.375 0.839
96 1 0.375 0.839 0.911
97 1 0.089 0.875 0.661
98 1 0.875 0.661 0.089
99 3 0.361 0.972 0.381
100 3 0.972 0.381 0.361
101 3 0.869 0.722 0.611
102 3 0.722 0.611 0.869
103 3 0.639 0.472 0.119
104 3 0.472 0.119 0.639
105 1 0.589 0.875 0.839
106 1 0.875 0.839 0.589
107 3 0.139 0.528 0.119
108 3 0.528 0.119 0.139
109 3 0.131 0.278 0.389
110 3 0.278 0.389 0.131
111 3 0.861 0.028 0.381
112 3 0.028 0.381 0.861
113 3 0.369 0.778 0.389
114 3 0.778 0.389 0.369
115 1 0.089 0.625 0.161
116 1 0.625 0.161 0.089
117 3 0.631 0.222 0.611
118 3 0.222 0.611 0.631
119 3 0.631 0.278 0.111
120 3 0.278 0.111 0.631
121 1 0.911 0.125 0.339
122 1 0.125 0.339 0.911
123 3 0.369 0.722 0.889
124 3 0.722 0.889 0.369
125 3 0.369 0.278 0.611
126 3 0.278 0.611 0.369
127 1 0.089 0.125 0.839
128 1 0.125 0.839 0.089
129 3 0.631 0.722 0.389
130 3 0.722 0.389 0.631
131 3 0.631 0.778 0.889
132 3 0.778 0.889 0.631
133 1 0.911 0.625 0.661
134 1 0.625 0.661 0.911
135 3 0.369 0.222 0.111
136 3 0.222 0.111 0.369
137 3 0.381 0.139 0.472
138 3 0.119 0.861 0.972
139 3 0.119 0.361 0.028
140 3 0.381 0.639 0.528
141 3 0.619 0.139 0.972
142 3 0.881 0.861 0.472
143 3 0.881 0.361 0.528
144 3 0.619 0.639 0.028
145 3 0.639 0.028 0.619
146 3 0.528 0.881 0.361
147 3 0.361 0.528 0.881
148 3 0.028 0.619 0.639
149 3 0.861 0.472 0.881
150 3 0.972 0.619 0.139
151 3 0.139 0.972 0.619
152 3 0.472 0.881 0.861
153 3 0.639 0.528 0.381
154 3 0.028 0.119 0.361
155 3 0.361 0.028 0.119
156 3 0.528 0.381 0.639
157 3 0.861 0.972 0.119
158 3 0.472 0.381 0.139
159 3 0.139 0.472 0.381
160 3 0.972 0.119 0.861
X-ray density (g/cm cub.) = 3.55
MU (1/cm) = 726.342 Mass attenuation coefficient (cm**2/g) = 204.48
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Fe 2.592 4
1.5973 3
1.6283 3
1.6283 3
1.5973 3
2 Cs 3.612 12
3.5919 3
3.4864 3
3.5919 3
3.5919 3
3.5919 3
3.4864 3
3.4864 3
3.5919 3
3.5919 3
3.4864 3
3.4864 3
3.4864 3
3 O 3.264 6
2.6545 3
2.616 3
2.6122 3
2.6122 3
2.616 3
2.6902 3
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 1 1 2 9.23 18.459 0.09 74.81 24 65.7 119.1
2 2 2 0 10.673 21.346 0.104 55.4 12 73.1 54.7
3 3 2 1 14.182 28.364 0.137 30.49 48 327.7 2418.2
4 4 0 0 15.184 30.368 0.146 26.35 6 1524.6 5656.2
5 4 2 0 17.028 34.056 0.164 20.57 24 85.7 55.8
6 3 3 2 17.886 35.773 0.172 18.47 24 621.3 2634.5
7 2 2 4 18.71 37.421 0.179 16.73 24 58.2 20.9
8 4 3 1 19.505 39.009 0.187 15.26 48 123.3 171.5
9 5 2 1 21.017 42.035 0.2 12.92 48 143.9 197.7
10 4 4 0 21.741 43.482 0.207 11.98 12 935.0 1934.0
11 1 1 6 23.806 47.613 0.226 9.76 24 147.6 78.5
12 5 3 2 23.806 47.613 0.226 9.76 48 286.9 593.5
13 6 2 0 24.465 48.93 0.231 9.17 24 108.5 39.9
14 5 4 1 25.11 50.22 0.237 8.64 48 26.6 4.5
15 6 3 1 26.366 52.733 0.248 7.73 48 295.9 500.4
16 4 4 4 26.979 53.958 0.254 7.34 8 544.1 267.5
17 5 4 3 27.582 55.164 0.259 6.98 48 69.8 25.1
18 6 4 0 28.176 56.352 0.264 6.65 24 161.3 63.9
19 3 3 6 28.762 57.525 0.269 6.35 24 478.9 537.7
20 5 5 2 28.762 57.525 0.269 6.35 24 242.6 138.0
21 7 2 1 28.762 57.525 0.269 6.35 48 337.1 532.8
22 6 4 2 29.341 58.682 0.274 6.07 48 90.4 36.6
23 6 5 1 31.037 62.074 0.288 5.35 48 170.8 115.4
24 7 3 2 31.037 62.074 0.288 5.35 48 566.2 1267.8
25 8 0 0 31.59 63.181 0.293 5.15 6 958.5 436.9
26 7 4 1 32.138 64.276 0.297 4.96 48 165.6 100.4
27 8 2 0 32.681 65.362 0.302 4.78 24 119.1 25.1
28 6 5 3 33.219 66.439 0.306 4.62 48 243.9 203.0
29 2 2 8 33.753 67.507 0.311 4.47 24 46.5 3.6
30 6 6 0 33.753 67.507 0.311 4.47 12 163.1 21.9
31 7 4 3 34.283 68.566 0.315 4.32 48 63.9 13.0
32 8 3 1 34.283 68.566 0.315 4.32 48 146.5 68.6
33 7 5 2 35.331 70.663 0.323 4.07 48 328.9 325.0
34 8 4 0 35.851 71.701 0.327 3.95 24 663.1 641.9
35 8 4 2 36.88 73.759 0.335 3.74 48 57.9 9.3
36 5 5 6 37.39 74.78 0.339 3.65 24 246.5 81.9
37 7 6 1 37.39 74.78 0.339 3.65 48 290.8 227.9
38 9 2 1 37.39 74.78 0.339 3.65 48 48.8 6.4
39 6 6 4 37.898 75.796 0.343 3.56 24 131.7 22.8
40 7 5 4 38.404 76.808 0.347 3.48 48 121.0 37.6
41 8 5 1 38.404 76.808 0.347 3.48 48 31.6 2.6
42 7 6 3 39.409 78.818 0.355 3.33 48 432.4 460.4
43 9 3 2 39.409 78.818 0.355 3.33 48 79.1 15.4
44 4 4 8 39.909 79.818 0.359 3.27 24 454.7 249.4
45 8 5 3 40.408 80.815 0.362 3.21 48 87.1 18.0
46 9 4 1 40.408 80.815 0.362 3.21 48 51.7 6.3
47 8 6 0 40.905 81.809 0.366 3.15 24 215.6 54.0
48 1 1 10 41.4 82.801 0.37 3.1 24 443.9 225.4
49 7 7 2 41.4 82.801 0.37 3.1 24 568.1 369.1
50 8 6 2 41.895 83.79 0.373 3.05 48 80.1 14.5
51 10 2 0 41.895 83.79 0.373 3.05 24 78.0 6.9
52 9 4 3 42.389 84.778 0.377 3.0 48 25.5 1.4
53 7 6 5 43.374 86.749 0.384 2.93 48 271.9 159.8
54 9 5 2 43.374 86.749 0.384 2.93 48 223.5 108.0
55 10 3 1 43.374 86.749 0.384 2.93 48 433.0 405.4
56 8 7 1 44.358 88.716 0.391 2.86 48 208.2 91.7
57 8 6 4 44.849 89.698 0.394 2.84 48 93.5 18.3
58 10 4 0 44.849 89.698 0.394 2.84 24 140.9 20.8
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 1 1 2 9.23 18.459 5.57667 119.1 2.1 2.1 5.6
2 3 2 1 14.182 28.364 3.65079 2418.2 42.8 42.8 5.6
3 4 0 0 15.184 30.368 3.415 5656.2 100.0 100.0 5.6
4 3 3 2 17.886 35.773 2.91232 2634.5 46.6 46.4 5.7
5 4 3 1 19.505 39.009 2.67895 171.5 3.0 3.0 5.7
6 5 2 1 21.017 42.035 2.49396 197.7 3.5 3.5 5.7
7 4 4 0 21.741 43.482 2.41477 1934.0 34.2 33.8 5.7
8 5 3 2 23.806 47.613 2.21594 672.0 11.9 11.7 5.7
9 6 3 1 26.366 52.733 2.01406 500.4 8.8 8.6 5.8
10 4 4 4 26.979 53.958 1.97165 267.5 4.7 4.6 5.8
11 6 4 0 28.176 56.352 1.8943 63.9 1.1 1.1 5.8
12 3 3 6 28.762 57.525 1.85889 1208.5 21.4 20.7 5.8
13 7 3 2 31.037 62.074 1.73482 1383.2 24.5 23.6 5.8
14 8 0 0 31.59 63.181 1.7075 436.9 7.7 7.4 5.9
15 7 4 1 32.138 64.276 1.68143 100.4 1.8 1.7 5.9
16 6 5 3 33.219 66.439 1.63268 203.0 3.6 3.4 5.9
17 8 3 1 34.283 68.566 1.58794 81.6 1.4 1.4 5.9
18 7 5 2 35.331 70.663 1.54669 325.0 5.7 5.5 5.9
19 8 4 0 35.851 71.701 1.52723 641.9 11.3 10.8 5.9
20 7 6 1 37.39 74.78 1.473 316.3 5.6 5.3 6.0
21 7 6 3 39.409 78.818 1.40892 475.8 8.4 7.9 6.0
22 4 4 8 39.909 79.818 1.39417 249.4 4.4 4.1 6.0
23 7 7 2 41.4 82.801 1.35254 594.6 10.5 9.7 6.1
24 10 3 1 43.374 86.749 1.30243 673.2 11.9 10.9 6.1
25 8 7 1 44.358 88.716 1.27938 91.7 1.6 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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