Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
POLLUCITE
1, f-feldspathoid
[Cs(0.7)Na(0.3)]AlSi(2)O(6).0.3H(2)O
Cubic I a3d Z = 16
Ia3d
30 .3 .1992
Ref.Str.:
Newnham R.E.(1967)
* Amer. Mineral., 52, 1515-1518
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.682 alpha = 90.0
b = 13.682 beta = 90.0
c = 13.682 gamma = 90.0
Unit cell volume (cub. angs.) = 2561.23
Molar volume ( cub.cm/mol.) = 96.42
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 1.7 Cs = 0.7 , Na = 0.3
2 0.125 0.6631 0.5869 0.3 Si = 0.75, Al = 0.25
3 0.104 0.133 0.722 1.8 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 0.125 0.6631 0.5869
3 3 0.104 0.133 0.722
4 1 0.875 0.875 0.875
5 2 0.875 0.3369 0.4131
6 3 0.896 0.867 0.278
7 1 0.625 0.375 0.875
8 1 0.375 0.875 0.625
9 1 0.875 0.625 0.375
10 2 0.0869 0.375 0.3369
11 2 0.375 0.3369 0.0869
12 2 0.4131 0.625 0.8369
13 3 0.617 0.354 0.472
14 3 0.396 0.867 0.222
15 3 0.883 0.646 0.972
16 1 0.875 0.125 0.625
17 1 0.625 0.125 0.375
18 1 0.625 0.875 0.125
19 2 0.4131 0.125 0.1631
20 2 0.625 0.6631 0.9131
21 2 0.0869 0.875 0.6631
22 3 0.883 0.146 0.028
23 3 0.604 0.133 0.778
24 3 0.617 0.854 0.528
25 2 0.875 0.6631 0.0869
26 3 0.896 0.133 0.222
27 1 0.125 0.875 0.375
28 2 0.125 0.3369 0.9131
29 3 0.104 0.867 0.778
30 1 0.375 0.375 0.375
31 1 0.125 0.625 0.875
32 2 0.9131 0.375 0.8369
33 2 0.625 0.3369 0.5869
34 2 0.5869 0.625 0.3369
35 3 0.383 0.354 0.972
36 3 0.604 0.867 0.722
37 3 0.117 0.646 0.472
38 1 0.375 0.125 0.875
39 2 0.5869 0.125 0.6631
40 2 0.375 0.6631 0.4131
41 2 0.9131 0.875 0.1631
42 3 0.117 0.146 0.528
43 3 0.396 0.133 0.278
44 3 0.383 0.854 0.028
45 2 0.375 0.8369 0.9131
46 3 0.396 0.367 0.778
47 1 0.625 0.625 0.625
48 2 0.625 0.1631 0.0869
49 3 0.604 0.633 0.222
50 2 0.125 0.1631 0.4131
51 3 0.104 0.633 0.278
52 1 0.875 0.375 0.125
53 2 0.875 0.8369 0.5869
54 3 0.896 0.367 0.722
55 2 0.625 0.8369 0.4131
56 3 0.604 0.367 0.278
57 1 0.375 0.625 0.125
58 2 0.375 0.1631 0.5869
59 3 0.396 0.633 0.722
60 2 0.875 0.1631 0.9131
61 3 0.896 0.633 0.778
62 1 0.125 0.375 0.625
63 2 0.125 0.8369 0.0869
64 3 0.104 0.367 0.222
65 2 0.6631 0.5869 0.125
66 3 0.133 0.722 0.104
67 3 0.722 0.104 0.133
68 2 0.3369 0.4131 0.875
69 2 0.4131 0.875 0.3369
70 3 0.867 0.278 0.896
71 3 0.278 0.896 0.867
72 2 0.3369 0.0869 0.375
73 2 0.8369 0.4131 0.625
74 3 0.354 0.472 0.617
75 3 0.472 0.617 0.354
76 3 0.867 0.222 0.396
77 3 0.222 0.396 0.867
78 3 0.646 0.972 0.883
79 3 0.972 0.883 0.646
80 2 0.1631 0.4131 0.125
81 2 0.6631 0.9131 0.625
82 2 0.9131 0.625 0.6631
83 2 0.6631 0.0869 0.875
84 3 0.146 0.028 0.883
85 3 0.028 0.883 0.146
86 3 0.133 0.778 0.604
87 3 0.778 0.604 0.133
88 3 0.854 0.528 0.617
89 3 0.528 0.617 0.854
90 3 0.133 0.222 0.896
91 3 0.222 0.896 0.133
92 2 0.3369 0.9131 0.125
93 2 0.9131 0.125 0.3369
94 3 0.867 0.778 0.104
95 3 0.778 0.104 0.867
96 2 0.8369 0.9131 0.375
97 2 0.3369 0.5869 0.625
98 3 0.354 0.972 0.383
99 3 0.972 0.383 0.354
100 3 0.867 0.722 0.604
101 3 0.722 0.604 0.867
102 3 0.646 0.472 0.117
103 3 0.472 0.117 0.646
104 2 0.6631 0.4131 0.375
105 2 0.4131 0.375 0.6631
106 2 0.1631 0.9131 0.875
107 3 0.146 0.528 0.117
108 3 0.528 0.117 0.146
109 3 0.133 0.278 0.396
110 3 0.278 0.396 0.133
111 3 0.854 0.028 0.383
112 3 0.028 0.383 0.854
113 3 0.367 0.778 0.396
114 3 0.778 0.396 0.367
115 2 0.1631 0.0869 0.625
116 2 0.0869 0.625 0.1631
117 3 0.633 0.222 0.604
118 3 0.222 0.604 0.633
119 3 0.633 0.278 0.104
120 3 0.278 0.104 0.633
121 2 0.8369 0.5869 0.875
122 2 0.5869 0.875 0.8369
123 3 0.367 0.722 0.896
124 3 0.722 0.896 0.367
125 3 0.367 0.278 0.604
126 3 0.278 0.604 0.367
127 2 0.1631 0.5869 0.375
128 2 0.5869 0.375 0.1631
129 3 0.633 0.722 0.396
130 3 0.722 0.396 0.633
131 3 0.633 0.778 0.896
132 3 0.778 0.896 0.633
133 2 0.8369 0.0869 0.125
134 2 0.0869 0.125 0.8369
135 3 0.367 0.222 0.104
136 3 0.222 0.104 0.367
137 3 0.383 0.146 0.472
138 3 0.117 0.854 0.972
139 3 0.117 0.354 0.028
140 3 0.383 0.646 0.528
141 3 0.617 0.146 0.972
142 3 0.883 0.854 0.472
143 3 0.883 0.354 0.528
144 3 0.617 0.646 0.028
145 3 0.646 0.028 0.617
146 3 0.528 0.883 0.354
147 3 0.354 0.528 0.883
148 3 0.028 0.617 0.646
149 3 0.854 0.472 0.883
150 3 0.972 0.617 0.146
151 3 0.146 0.972 0.617
152 3 0.472 0.883 0.854
153 3 0.646 0.528 0.383
154 3 0.028 0.117 0.354
155 3 0.354 0.028 0.117
156 3 0.528 0.383 0.646
157 3 0.854 0.972 0.117
158 3 0.472 0.383 0.146
159 3 0.146 0.472 0.383
160 3 0.972 0.117 0.854
X-ray density (g/cm cub.) = 2.9
MU (1/cm) = 370.304 Mass attenuation coefficient (cm**2/g) = 127.828
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cs ,Na 3.612 12
3.5787 3
3.4044 3
3.5787 3
3.5787 3
3.5787 3
3.4044 3
3.4044 3
3.5787 3
3.5787 3
3.4044 3
3.4044 3
3.4044 3
2 Si ,Al 2.316 4
1.5931 3
1.5931 3
1.6772 3
1.6772 3
3 O 3.264 6
2.6662 3
2.6919 3
2.7033 3
2.7033 3
2.6919 3
2.5635 3
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 7.927 15.853 0.09 102.22 24 15.5 9.0
2 2 2 0 9.163 18.325 0.103 75.95 12 81.1 91.3
3 3 2 1 12.16 24.321 0.137 42.2 48 224.3 1553.4
4 4 0 0 13.014 26.029 0.146 36.58 6 1139.1 4341.3
5 4 2 0 14.583 29.165 0.163 28.73 24 102.4 110.3
6 3 3 2 15.311 30.623 0.171 25.88 24 462.5 2025.2
7 2 2 4 16.01 32.02 0.179 23.51 24 59.5 30.5
8 4 3 1 16.683 33.365 0.186 21.5 48 120.4 228.1
9 5 2 1 17.96 35.921 0.2 18.31 48 112.3 168.8
10 4 4 0 18.571 37.141 0.207 17.01 12 614.8 1176.2
11 1 1 6 20.307 40.614 0.225 13.95 24 80.7 33.2
12 5 3 2 20.307 40.614 0.225 13.95 48 224.3 513.7
13 6 2 0 20.859 41.717 0.231 13.14 24 101.1 49.2
14 5 4 1 21.399 42.798 0.237 12.41 48 38.7 13.6
15 6 3 1 22.448 44.895 0.248 11.15 48 191.7 299.7
16 4 4 4 22.958 45.915 0.253 10.59 8 305.3 120.4
17 5 4 3 23.459 46.918 0.258 10.09 48 44.3 14.5
18 6 4 0 23.952 47.905 0.264 9.62 24 167.7 99.0
19 3 3 6 24.438 48.876 0.269 9.19 24 323.0 350.9
20 5 5 2 24.438 48.876 0.269 9.19 24 162.2 88.4
21 7 2 1 24.438 48.876 0.269 9.19 48 207.2 288.7
22 6 4 2 24.917 49.834 0.273 8.8 48 75.9 37.0
23 6 5 1 26.314 52.629 0.288 7.77 48 97.0 53.4
24 7 3 2 26.314 52.629 0.288 7.77 48 394.3 883.6
25 8 0 0 26.769 53.537 0.292 7.47 6 618.0 261.0
26 7 4 1 27.218 54.436 0.297 7.19 48 135.6 96.8
27 8 2 0 27.662 55.324 0.301 6.93 24 115.8 34.0
28 6 5 3 28.101 56.202 0.306 6.69 48 152.8 114.2
29 2 2 8 28.536 57.072 0.31 6.46 24 47.1 5.2
30 6 6 0 28.536 57.072 0.31 6.46 12 127.2 19.1
31 7 4 3 28.967 57.933 0.314 6.25 48 40.6 7.5
32 8 3 1 28.967 57.933 0.314 6.25 48 137.2 86.0
33 7 5 2 29.816 59.632 0.323 5.85 48 208.9 187.0
34 8 4 0 30.235 60.471 0.327 5.67 24 389.8 315.4
35 8 4 2 31.063 62.127 0.335 5.34 48 52.9 11.0
36 5 5 6 31.473 62.946 0.339 5.19 24 132.2 33.2
37 7 6 1 31.473 62.946 0.339 5.19 48 184.7 129.6
38 9 2 1 31.473 62.946 0.339 5.19 48 13.5 0.7
39 6 6 4 31.879 63.758 0.343 5.05 24 84.8 13.3
40 7 5 4 32.283 64.565 0.347 4.91 48 80.0 23.0
41 8 5 1 32.283 64.565 0.347 4.91 48 38.7 5.4
42 7 6 3 33.082 66.164 0.354 4.66 48 280.1 267.4
43 9 3 2 33.082 66.164 0.354 4.66 48 23.8 1.9
44 4 4 8 33.478 66.956 0.358 4.54 24 251.2 104.9
45 8 5 3 33.871 67.743 0.362 4.43 48 62.5 12.7
46 9 4 1 33.871 67.743 0.362 4.43 48 44.5 6.4
47 8 6 0 34.263 68.525 0.365 4.33 24 174.9 48.4
48 1 1 10 34.652 69.304 0.369 4.23 24 323.9 162.3
49 7 7 2 34.652 69.304 0.369 4.23 24 374.1 216.5
50 8 6 2 35.039 70.078 0.373 4.14 48 70.2 14.9
51 10 2 0 35.039 70.078 0.373 4.14 24 63.4 6.1
52 9 4 3 35.425 70.849 0.376 4.05 48 18.7 1.0
53 7 6 5 36.19 72.38 0.383 3.88 48 158.9 71.7
54 9 5 2 36.19 72.38 0.383 3.88 48 134.5 51.3
55 10 3 1 36.19 72.38 0.383 3.88 48 280.5 223.4
56 8 7 1 36.949 73.898 0.39 3.73 48 173.5 82.2
57 8 6 4 37.327 74.653 0.394 3.66 48 67.7 12.3
58 10 4 0 37.327 74.653 0.394 3.66 24 125.0 20.9
59 3 3 10 37.702 75.405 0.397 3.59 24 268.4 94.7
60 9 6 1 37.702 75.405 0.397 3.59 48 7.3 0.1
61 10 4 2 38.077 76.154 0.4 3.53 48 46.0 5.5
62 8 7 3 38.451 76.901 0.404 3.47 48 57.5 8.4
63 9 5 4 38.451 76.901 0.404 3.47 48 40.3 4.1
64 9 6 3 39.194 78.389 0.41 3.36 48 11.2 0.3
65 10 5 1 39.194 78.389 0.41 3.36 48 284.6 199.3
66 11 2 1 39.194 78.389 0.41 3.36 48 67.3 11.2
67 8 8 0 39.565 79.129 0.413 3.31 12 271.7 44.7
68 7 7 6 40.67 81.341 0.423 3.17 24 246.4 70.5
69 9 7 2 40.67 81.341 0.423 3.17 48 66.5 10.3
70 10 5 3 40.67 81.341 0.423 3.17 48 207.9 100.4
71 11 3 2 40.67 81.341 0.423 3.17 48 143.2 47.6
72 6 6 8 41.037 82.075 0.426 3.13 24 91.2 9.5
73 10 6 0 41.037 82.075 0.426 3.13 24 82.6 7.8
74 8 7 5 41.404 82.808 0.429 3.1 48 108.3 26.5
75 11 4 1 41.404 82.808 0.429 3.1 48 107.7 26.3
76 10 6 2 41.77 83.539 0.432 3.06 48 2.1 0.0
77 9 6 5 42.135 84.27 0.435 3.03 48 108.9 26.3
78 8 8 4 42.5 84.999 0.439 2.99 24 229.0 57.5
79 12 0 0 42.5 84.999 0.439 2.99 6 251.7 17.3
80 9 7 4 42.864 85.728 0.442 2.96 48 50.8 5.6
81 9 8 1 42.864 85.728 0.442 2.96 48 48.3 5.1
82 11 4 3 42.864 85.728 0.442 2.96 48 32.8 2.3
83 12 2 0 43.228 86.456 0.445 2.94 24 119.0 15.2
84 5 5 10 43.592 87.184 0.448 2.91 24 305.3 99.3
85 10 7 1 43.592 87.184 0.448 2.91 48 176.9 66.7
86 11 5 2 43.592 87.184 0.448 2.91 48 168.4 60.4
87 2 2 12 43.955 87.911 0.451 2.89 24 34.7 1.3
88 10 6 4 43.955 87.911 0.451 2.89 48 44.9 4.3
89 9 8 3 44.319 88.638 0.454 2.87 48 34.4 2.5
90 12 3 1 44.319 88.638 0.454 2.87 48 48.3 4.9
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 9.163 18.325 4.83732 91.3 2.1 2.1 5.6
2 3 2 1 12.16 24.321 3.65667 1553.4 35.8 35.8 5.6
3 4 0 0 13.014 26.029 3.4205 4341.3 100.0 100.0 5.6
4 4 2 0 14.583 29.165 3.05939 110.3 2.5 2.5 5.6
5 3 3 2 15.311 30.623 2.91701 2025.2 46.6 46.5 5.6
6 4 3 1 16.683 33.365 2.68326 228.1 5.3 5.2 5.7
7 5 2 1 17.96 35.921 2.49798 168.8 3.9 3.9 5.7
8 4 4 0 18.571 37.141 2.41866 1176.2 27.1 26.8 5.7
9 5 3 2 20.307 40.614 2.21951 546.9 12.6 12.4 5.7
10 6 2 0 20.859 41.717 2.16331 49.2 1.1 1.1 5.7
11 6 3 1 22.448 44.895 2.0173 299.7 6.9 6.8 5.7
12 4 4 4 22.958 45.915 1.97483 120.4 2.8 2.7 5.7
13 6 4 0 23.952 47.905 1.89735 99.0 2.3 2.2 5.7
14 3 3 6 24.438 48.876 1.86188 728.0 16.8 16.4 5.7
15 7 3 2 26.314 52.629 1.73762 937.0 21.6 21.0 5.8
16 8 0 0 26.769 53.537 1.71025 261.0 6.0 5.8 5.8
17 7 4 1 27.218 54.436 1.68414 96.8 2.2 2.2 5.8
18 6 5 3 28.101 56.202 1.63531 114.2 2.6 2.6 5.8
19 8 3 1 28.967 57.933 1.5905 93.5 2.2 2.1 5.8
20 7 5 2 29.816 59.632 1.54918 187.0 4.3 4.2 5.8
21 8 4 0 30.235 60.471 1.52969 315.4 7.3 7.0 5.8
22 7 6 1 31.473 62.946 1.47537 163.5 3.8 3.6 5.9
23 7 6 3 33.082 66.164 1.41119 269.4 6.2 5.9 5.9
24 4 4 8 33.478 66.956 1.39641 104.9 2.4 2.3 5.9
25 8 6 0 34.263 68.525 1.3682 48.4 1.1 1.1 5.9
26 7 7 2 34.652 69.304 1.35472 378.8 8.7 8.3 5.9
27 10 3 1 36.19 72.38 1.30453 346.4 8.0 7.5 5.9
28 8 7 1 36.949 73.898 1.28144 82.2 1.9 1.8 6.0
29 3 3 10 37.702 75.405 1.25953 94.8 2.2 2.1 6.0
30 10 5 1 39.194 78.389 1.21889 210.4 4.8 4.5 6.0
31 8 8 0 39.565 79.129 1.20933 44.7 1.0 1.0 6.0
32 10 5 3 40.67 81.341 1.18194 228.8 5.3 4.9 6.1
33 8 7 5 41.404 82.808 1.16469 52.8 1.2 1.1 6.1
34 8 8 4 42.5 84.999 1.14017 74.8 1.7 1.6 6.1
35 5 5 10 43.592 87.184 1.11713 226.3 5.2 4.8 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)
|