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
4, f-feldspathoid, DN
Cs(0.7)Na(0.1)Al(0.8)Si(22)O(6).0.3H(2)O
Cubic I a3d Z = 16
R =0.039 NR =347
14 .11 .1995
Ref.Str.:
Frak-Kamenetskaya O.V., Rozhdestvenskaya I.V., Bannova I.I.,
Kostitsyna A.V., Kaminskaya T.N., Gordienko V.V. (1995)
* Kristallogr., 40, 4, 698-707
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.679 alpha = 90.0
b = 13.679 beta = 90.0
c = 13.679 gamma = 90.0
Unit cell volume (cub. angs.) = 2559.55
Molar volume ( cub.cm/mol.) = 96.36
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.125 0.125 0.125 2.66 Cs = 0.72, H(2)O = 0.28
2 0.25 0.125 0.0 3.61 Na = 0.1 , Na = 0.0
3 0.375 0.3377 0.0877 1.14 Al = 0.27, Si = 0.73
4 0.3664 0.2193 0.1039 2.92 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.125 0.125 0.125
2 2 0.25 0.125 0.0
3 3 0.375 0.3377 0.0877
4 4 0.3664 0.2193 0.1039
5 1 0.875 0.875 0.875
6 2 0.75 0.875 0.0
7 3 0.625 0.6623 0.9123
8 4 0.6336 0.7807 0.8961
9 1 0.625 0.375 0.875
10 1 0.375 0.875 0.625
11 1 0.875 0.625 0.375
12 2 0.625 0.5 0.75
13 2 0.25 0.875 0.5
14 2 0.875 0.5 0.25
15 3 0.4123 0.625 0.8377
16 3 0.125 0.6623 0.5877
17 3 0.0877 0.375 0.3377
18 4 0.5307 0.6164 0.8539
19 4 0.1336 0.7807 0.6039
20 4 0.9693 0.3836 0.3539
21 1 0.875 0.125 0.625
22 1 0.625 0.125 0.375
23 1 0.625 0.875 0.125
24 2 0.875 0.0 0.75
25 2 0.75 0.125 0.5
26 2 0.625 0.0 0.25
27 3 0.0877 0.875 0.6623
28 3 0.875 0.3377 0.4123
29 3 0.4123 0.125 0.1623
30 4 0.9693 0.8836 0.6461
31 4 0.8664 0.2193 0.3961
32 4 0.5307 0.1164 0.1461
33 3 0.625 0.3377 0.5877
34 4 0.6336 0.2193 0.6039
35 1 0.125 0.875 0.375
36 3 0.375 0.6623 0.4123
37 4 0.3664 0.7807 0.3961
38 1 0.375 0.375 0.375
39 1 0.125 0.625 0.875
40 2 0.375 0.5 0.25
41 2 0.125 0.5 0.75
42 3 0.5877 0.625 0.3377
43 3 0.875 0.6623 0.0877
44 3 0.9123 0.375 0.8377
45 4 0.4693 0.6164 0.3539
46 4 0.8664 0.7807 0.1039
47 4 0.0307 0.3836 0.8539
48 1 0.375 0.125 0.875
49 2 0.125 0.0 0.25
50 2 0.375 0.0 0.75
51 3 0.9123 0.875 0.1623
52 3 0.125 0.3377 0.9123
53 3 0.5877 0.125 0.6623
54 4 0.0307 0.8836 0.1461
55 4 0.1336 0.2193 0.8961
56 4 0.4693 0.1164 0.6461
57 2 0.25 0.375 0.5
58 3 0.125 0.1623 0.4123
59 4 0.1336 0.2807 0.3961
60 1 0.625 0.625 0.625
61 2 0.75 0.625 0.5
62 3 0.875 0.8377 0.5877
63 4 0.8664 0.7193 0.6039
64 2 0.25 0.625 0.0
65 3 0.375 0.8377 0.9123
66 4 0.3664 0.7193 0.8961
67 1 0.875 0.375 0.125
68 2 0.75 0.375 0.0
69 3 0.625 0.1623 0.0877
70 4 0.6336 0.2807 0.1039
71 3 0.875 0.1623 0.9123
72 4 0.8664 0.2807 0.8961
73 1 0.375 0.625 0.125
74 3 0.125 0.8377 0.0877
75 4 0.1336 0.7193 0.1039
76 3 0.625 0.8377 0.4123
77 4 0.6336 0.7193 0.3961
78 1 0.125 0.375 0.625
79 3 0.375 0.1623 0.5877
80 4 0.3664 0.2807 0.6039
81 2 0.0 0.25 0.125
82 3 0.3377 0.0877 0.375
83 4 0.2193 0.1039 0.3664
84 4 0.1039 0.3664 0.2193
85 2 0.0 0.75 0.875
86 3 0.6623 0.9123 0.625
87 3 0.9123 0.625 0.6623
88 4 0.7807 0.8961 0.6336
89 4 0.8961 0.6336 0.7807
90 2 0.5 0.75 0.625
91 2 0.5 0.25 0.875
92 3 0.8377 0.4123 0.625
93 3 0.6623 0.5877 0.125
94 4 0.6164 0.8539 0.5307
95 4 0.8539 0.5307 0.6164
96 4 0.7807 0.6039 0.1336
97 4 0.6039 0.1336 0.7807
98 4 0.3836 0.3539 0.9693
99 4 0.3539 0.9693 0.3836
100 2 0.5 0.75 0.125
101 2 0.0 0.25 0.625
102 3 0.6623 0.0877 0.875
103 3 0.3377 0.4123 0.875
104 3 0.4123 0.875 0.3377
105 3 0.1623 0.4123 0.125
106 4 0.8836 0.6461 0.9693
107 4 0.6461 0.9693 0.8836
108 4 0.2193 0.3961 0.8664
109 4 0.3961 0.8664 0.2193
110 4 0.1164 0.1461 0.5307
111 4 0.1461 0.5307 0.1164
112 3 0.3377 0.5877 0.625
113 4 0.2193 0.6039 0.6336
114 4 0.6039 0.6336 0.2193
115 3 0.6623 0.4123 0.375
116 3 0.4123 0.375 0.6623
117 4 0.7807 0.3961 0.3664
118 4 0.3961 0.3664 0.7807
119 2 0.5 0.25 0.375
120 3 0.8377 0.9123 0.375
121 4 0.6164 0.3539 0.4693
122 4 0.3539 0.4693 0.6164
123 4 0.7807 0.1039 0.8664
124 4 0.1039 0.8664 0.7807
125 4 0.3836 0.8539 0.0307
126 4 0.8539 0.0307 0.3836
127 2 0.0 0.75 0.375
128 3 0.1623 0.9123 0.875
129 3 0.3377 0.9123 0.125
130 3 0.9123 0.125 0.3377
131 4 0.8836 0.1461 0.0307
132 4 0.1461 0.0307 0.8836
133 4 0.2193 0.8961 0.1336
134 4 0.8961 0.1336 0.2193
135 4 0.1164 0.6461 0.4693
136 4 0.6461 0.4693 0.1164
137 4 0.2807 0.3961 0.1336
138 4 0.3961 0.1336 0.2807
139 3 0.8377 0.5877 0.875
140 3 0.5877 0.875 0.8377
141 4 0.7193 0.6039 0.8664
142 4 0.6039 0.8664 0.7193
143 4 0.7193 0.8961 0.3664
144 4 0.8961 0.3664 0.7193
145 3 0.1623 0.0877 0.625
146 3 0.0877 0.625 0.1623
147 4 0.2807 0.1039 0.6336
148 4 0.1039 0.6336 0.2807
149 4 0.2807 0.8961 0.8664
150 4 0.8961 0.8664 0.2807
151 3 0.8377 0.0877 0.125
152 3 0.0877 0.125 0.8377
153 4 0.7193 0.1039 0.1336
154 4 0.1039 0.1336 0.7193
155 4 0.7193 0.3961 0.6336
156 4 0.3961 0.6336 0.7193
157 3 0.1623 0.5877 0.375
158 3 0.5877 0.375 0.1623
159 4 0.2807 0.6039 0.3664
160 4 0.6039 0.3664 0.2807
161 4 0.4693 0.8836 0.8539
162 4 0.0307 0.1164 0.3539
163 4 0.0307 0.6164 0.6461
164 4 0.4693 0.3836 0.1461
165 4 0.5307 0.8836 0.3539
166 4 0.9693 0.1164 0.8539
167 4 0.9693 0.6164 0.1461
168 4 0.5307 0.3836 0.6461
169 4 0.3836 0.6461 0.5307
170 4 0.1461 0.9693 0.6164
171 4 0.6164 0.1461 0.9693
172 4 0.6461 0.5307 0.3836
173 4 0.1164 0.8539 0.9693
174 4 0.3539 0.5307 0.8836
175 4 0.8836 0.3539 0.5307
176 4 0.8539 0.9693 0.1164
177 4 0.3836 0.1461 0.4693
178 4 0.6461 0.0307 0.6164
179 4 0.6164 0.6461 0.0307
180 4 0.1461 0.4693 0.3836
181 4 0.1164 0.3539 0.0307
182 4 0.8539 0.4693 0.8836
183 4 0.8836 0.8539 0.4693
184 4 0.3539 0.0307 0.1164
X-ray density (g/cm cub.) = 2.94
MU (1/cm) = 378.601 Mass attenuation coefficient (cm**2/g) = 128.677
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cs ,H(2)O 3.78 12
3.5568 4
3.5568 4
3.3885 4
3.5568 4
3.5568 4
3.5568 4
3.5568 4
3.3885 4
3.3885 4
3.3885 4
3.3885 4
3.3885 4
2 Na ,Na 2.976 4
2.4938 4
2.4938 4
2.4938 4
2.4938 4
3 Al ,Si 2.484 4
1.6389 4
1.6389 4
1.642 4
1.642 4
4 O 3.432 6
2.714 4
2.6144 4
2.7181 4
2.7181 4
2.714 4
2.5912 4
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 1 2 7.928 15.857 0.09 102.17 24 27.8 28.9
2 2 2 0 9.165 18.329 0.103 75.91 12 84.9 100.2
3 3 2 1 12.163 24.326 0.137 42.18 48 208.0 1336.9
4 4 0 0 13.017 26.035 0.146 36.56 6 1122.7 4220.7
5 4 2 0 14.586 29.172 0.163 28.72 24 84.1 74.4
6 3 3 2 15.315 30.63 0.171 25.87 24 443.3 1861.8
7 2 2 4 16.014 32.027 0.179 23.5 24 61.3 32.3
8 4 3 1 16.686 33.373 0.186 21.49 48 112.6 199.6
9 5 2 1 17.965 35.929 0.2 18.3 48 104.3 145.8
10 4 4 0 18.575 37.15 0.207 17.0 12 604.9 1139.6
11 1 1 6 20.312 40.623 0.225 13.95 24 73.6 27.6
12 5 3 2 20.312 40.623 0.225 13.95 48 216.4 478.7
13 6 2 0 20.864 41.727 0.231 13.14 24 89.8 38.8
14 5 4 1 21.404 42.808 0.237 12.41 48 34.2 10.6
15 6 3 1 22.453 44.905 0.248 11.14 48 168.2 230.8
16 4 4 4 22.963 45.926 0.253 10.59 8 326.3 137.7
17 5 4 3 23.464 46.929 0.258 10.08 48 39.9 11.8
18 6 4 0 23.958 47.916 0.264 9.62 24 163.2 93.9
19 3 3 6 24.444 48.888 0.269 9.19 24 298.3 299.6
20 5 5 2 24.444 48.888 0.269 9.19 24 147.1 72.8
21 7 2 1 24.444 48.888 0.269 9.19 48 201.9 274.5
22 6 4 2 24.923 49.845 0.274 8.79 48 64.7 26.9
23 6 5 1 26.321 52.641 0.288 7.76 48 76.9 33.7
24 7 3 2 26.321 52.641 0.288 7.76 48 362.8 748.8
25 8 0 0 26.775 53.55 0.292 7.47 6 570.6 222.7
26 7 4 1 27.224 54.448 0.297 7.19 48 124.8 82.1
27 8 2 0 27.668 55.337 0.301 6.93 24 104.7 27.8
28 6 5 3 28.108 56.216 0.306 6.69 48 138.6 94.1
29 2 2 8 28.543 57.086 0.31 6.46 24 44.8 4.7
30 6 6 0 28.543 57.086 0.31 6.46 12 125.9 18.8
31 7 4 3 28.974 57.947 0.314 6.24 48 40.4 7.5
32 8 3 1 28.974 57.947 0.314 6.24 48 122.7 68.9
33 7 5 2 29.823 59.647 0.323 5.85 48 183.1 143.8
34 8 4 0 30.243 60.485 0.327 5.67 24 345.0 247.2
35 8 4 2 31.071 62.142 0.335 5.34 48 55.1 11.9
36 5 5 6 31.48 62.961 0.339 5.19 24 108.2 22.2
37 7 6 1 31.48 62.961 0.339 5.19 48 172.5 113.1
38 9 2 1 31.48 62.961 0.339 5.19 48 17.8 1.2
39 6 6 4 31.887 63.774 0.343 5.04 24 83.8 13.0
40 7 5 4 32.291 64.581 0.347 4.91 48 71.9 18.6
41 8 5 1 32.291 64.581 0.347 4.91 48 31.8 3.6
42 7 6 3 33.09 66.18 0.354 4.66 48 250.1 213.4
43 9 3 2 33.09 66.18 0.354 4.66 48 17.7 1.1
44 4 4 8 33.486 66.972 0.358 4.54 24 220.3 80.7
45 8 5 3 33.88 67.76 0.362 4.43 48 55.4 10.0
46 9 4 1 33.88 67.76 0.362 4.43 48 37.0 4.4
47 8 6 0 34.271 68.542 0.366 4.33 24 157.6 39.3
48 1 1 10 34.661 69.321 0.369 4.23 24 281.1 122.4
49 7 7 2 34.661 69.321 0.369 4.23 24 341.5 180.6
50 8 6 2 35.048 70.096 0.373 4.13 48 57.1 9.9
51 10 2 0 35.048 70.096 0.373 4.13 24 57.9 5.1
52 9 4 3 35.434 70.867 0.376 4.04 48 15.7 0.7
53 7 6 5 36.199 72.399 0.383 3.88 48 134.8 51.6
54 9 5 2 36.199 72.399 0.383 3.88 48 108.2 33.2
55 10 3 1 36.199 72.399 0.383 3.88 48 237.5 160.2
56 8 7 1 36.959 73.917 0.39 3.73 48 153.7 64.6
57 8 6 4 37.336 74.672 0.394 3.66 48 59.0 9.3
58 10 4 0 37.336 74.672 0.394 3.66 24 100.3 13.5
59 3 3 10 37.712 75.424 0.397 3.59 24 232.0 70.8
60 9 6 1 37.712 75.424 0.397 3.59 48 7.1 0.1
61 10 4 2 38.087 76.174 0.4 3.53 48 41.4 4.4
62 8 7 3 38.461 76.921 0.404 3.47 48 55.1 7.7
63 9 5 4 38.461 76.921 0.404 3.47 48 34.6 3.0
64 9 6 3 39.205 78.409 0.41 3.36 48 11.9 0.3
65 10 5 1 39.205 78.409 0.41 3.36 48 234.5 135.4
66 11 2 1 39.205 78.409 0.41 3.36 48 56.2 7.8
67 8 8 0 39.575 79.15 0.414 3.31 12 227.1 31.3
68 7 7 6 40.681 81.362 0.423 3.17 24 219.7 56.1
69 9 7 2 40.681 81.362 0.423 3.17 48 57.1 7.6
70 10 5 3 40.681 81.362 0.423 3.17 48 175.1 71.3
71 11 3 2 40.681 81.362 0.423 3.17 48 125.0 36.3
72 6 6 8 41.048 82.097 0.426 3.13 24 81.5 7.6
73 10 6 0 41.048 82.097 0.426 3.13 24 72.3 6.0
74 8 7 5 41.415 82.83 0.429 3.09 48 95.0 20.5
75 11 4 1 41.415 82.83 0.429 3.09 48 89.9 18.3
76 10 6 2 41.781 83.562 0.432 3.06 48 1.7 0.0
77 9 6 5 42.146 84.292 0.436 3.02 48 82.6 15.1
78 8 8 4 42.511 85.022 0.439 2.99 24 180.1 35.6
79 12 0 0 42.511 85.022 0.439 2.99 6 211.5 12.3
80 9 7 4 42.876 85.751 0.442 2.96 48 42.3 3.9
81 9 8 1 42.876 85.751 0.442 2.96 48 39.8 3.4
82 11 4 3 42.876 85.751 0.442 2.96 48 28.4 1.7
83 12 2 0 43.24 86.48 0.445 2.94 24 90.8 8.9
84 5 5 10 43.604 87.208 0.448 2.91 24 247.0 65.1
85 10 7 1 43.604 87.208 0.448 2.91 48 149.5 47.7
86 11 5 2 43.604 87.208 0.448 2.91 48 135.0 38.9
87 2 2 12 43.968 87.935 0.451 2.89 24 29.8 0.9
88 10 6 4 43.968 87.935 0.451 2.89 48 39.6 3.3
89 9 8 3 44.331 88.662 0.454 2.86 48 26.8 1.5
90 12 3 1 44.331 88.662 0.454 2.86 48 41.5 3.6
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 2 2 0 9.165 18.329 4.83626 100.2 2.4 2.4 5.6
2 3 2 1 12.163 24.326 3.65587 1336.9 31.7 31.7 5.6
3 4 0 0 13.017 26.035 3.41975 4220.7 100.0 100.0 5.6
4 4 2 0 14.586 29.172 3.05872 74.4 1.8 1.8 5.6
5 3 3 2 15.315 30.63 2.91637 1861.8 44.1 43.9 5.6
6 4 3 1 16.686 33.373 2.68267 199.6 4.7 4.7 5.7
7 5 2 1 17.965 35.929 2.49743 145.8 3.5 3.4 5.7
8 4 4 0 18.575 37.15 2.41813 1139.6 27.0 26.7 5.7
9 5 3 2 20.312 40.623 2.21903 506.4 12.0 11.8 5.7
10 6 3 1 22.453 44.905 2.01686 230.8 5.5 5.4 5.7
11 4 4 4 22.963 45.926 1.97439 137.7 3.3 3.2 5.7
12 6 4 0 23.958 47.916 1.89694 93.9 2.2 2.2 5.7
13 3 3 6 24.444 48.888 1.86148 646.9 15.3 15.0 5.7
14 7 3 2 26.321 52.641 1.73723 782.5 18.5 18.1 5.8
15 8 0 0 26.775 53.55 1.70987 222.7 5.3 5.1 5.8
16 7 4 1 27.224 54.448 1.68377 82.1 1.9 1.9 5.8
17 6 5 3 28.108 56.216 1.63495 94.1 2.2 2.2 5.8
18 8 3 1 28.974 57.947 1.59015 76.3 1.8 1.7 5.8
19 7 5 2 29.823 59.647 1.54884 143.8 3.4 3.3 5.8
20 8 4 0 30.243 60.485 1.52936 247.2 5.9 5.6 5.8
21 7 6 1 31.48 62.961 1.47504 136.6 3.2 3.1 5.9
22 7 6 3 33.09 66.18 1.41088 214.5 5.1 4.9 5.9
23 4 4 8 33.486 66.972 1.39611 80.7 1.9 1.8 5.9
24 7 7 2 34.661 69.321 1.35442 303.0 7.2 6.8 5.9
25 10 3 1 36.199 72.399 1.30424 245.0 5.8 5.5 5.9
26 8 7 1 36.959 73.917 1.28116 64.6 1.5 1.4 6.0
27 3 3 10 37.712 75.424 1.25925 70.9 1.7 1.6 6.0
28 10 5 1 39.205 78.409 1.21862 143.2 3.4 3.2 6.0
29 10 5 3 40.681 81.362 1.18169 171.3 4.1 3.8 6.1
30 8 8 4 42.511 85.022 1.13992 47.8 1.1 1.0 6.1
31 5 5 10 43.604 87.208 1.11689 151.6 3.6 3.3 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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