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
6, f-feldspathoid, DN
Cs(11.7)Na(3.1)Li(0.2)K(0.4)Al(15)Si(33)O(96).4.3H(2)O
Cubic I a3d Z = 1
R =0.05 NR =213
24 .11 .1998
Ref.Str.:
Berger R.M. (1969)
* Z. Kristallogr., 129, 280-302
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.69 alpha = 90.0
b = 13.69 beta = 90.0
c = 13.69 gamma = 90.0
Unit cell volume (cub. angs.) = 2565.73
Molar volume ( cub.cm/mol.) = 1545.43
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6621 0.5879 0.125 0.0 Si = 0.67, Al = 0.33
2 0.1037 0.134 0.7203 0.0 O = 1.00
3 0.125 0.125 0.125 0.0 Ca = 0.72, H(2)O = 0.28
4 0.25 0.125 0.0 0.0 Na = 0.59, Na = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6621 0.5879 0.125
2 2 0.1037 0.134 0.7203
3 3 0.125 0.125 0.125
4 4 0.25 0.125 0.0
5 1 0.3379 0.4121 0.875
6 2 0.8963 0.866 0.2797
7 3 0.875 0.875 0.875
8 4 0.75 0.875 0.0
9 1 0.1621 0.9121 0.875
10 1 0.8379 0.4121 0.625
11 1 0.3379 0.0879 0.375
12 2 0.616 0.3537 0.4703
13 2 0.3963 0.866 0.2203
14 2 0.884 0.6463 0.9703
15 3 0.625 0.375 0.875
16 3 0.375 0.875 0.625
17 3 0.875 0.625 0.375
18 4 0.625 0.5 0.75
19 4 0.25 0.875 0.5
20 4 0.875 0.5 0.25
21 1 0.3379 0.5879 0.625
22 1 0.1621 0.5879 0.375
23 1 0.1621 0.4121 0.125
24 2 0.884 0.1463 0.0297
25 2 0.6037 0.134 0.7797
26 2 0.616 0.8537 0.5297
27 3 0.875 0.125 0.625
28 3 0.625 0.125 0.375
29 3 0.625 0.875 0.125
30 4 0.875 0.0 0.75
31 4 0.75 0.125 0.5
32 4 0.625 0.0 0.25
33 2 0.8963 0.134 0.2203
34 1 0.6621 0.4121 0.375
35 2 0.1037 0.866 0.7797
36 3 0.125 0.875 0.375
37 1 0.8379 0.9121 0.375
38 1 0.6621 0.0879 0.875
39 2 0.384 0.3537 0.9703
40 2 0.6037 0.866 0.7203
41 2 0.116 0.6463 0.4703
42 3 0.375 0.375 0.375
43 3 0.125 0.625 0.875
44 4 0.375 0.5 0.25
45 4 0.125 0.5 0.75
46 1 0.8379 0.5879 0.875
47 2 0.116 0.1463 0.5297
48 2 0.3963 0.134 0.2797
49 2 0.384 0.8537 0.0297
50 3 0.375 0.125 0.875
51 4 0.125 0.0 0.25
52 4 0.375 0.0 0.75
53 2 0.3963 0.366 0.7797
54 4 0.25 0.375 0.5
55 1 0.1621 0.0879 0.625
56 2 0.6037 0.634 0.2203
57 3 0.625 0.625 0.625
58 4 0.75 0.625 0.5
59 2 0.1037 0.634 0.2797
60 4 0.25 0.625 0.0
61 1 0.3379 0.9121 0.125
62 2 0.8963 0.366 0.7203
63 3 0.875 0.375 0.125
64 4 0.75 0.375 0.0
65 2 0.6037 0.366 0.2797
66 1 0.8379 0.0879 0.125
67 2 0.3963 0.634 0.7203
68 3 0.375 0.625 0.125
69 2 0.8963 0.634 0.7797
70 1 0.6621 0.9121 0.625
71 2 0.1037 0.366 0.2203
72 3 0.125 0.375 0.625
73 1 0.5879 0.125 0.6621
74 1 0.125 0.6621 0.5879
75 2 0.134 0.7203 0.1037
76 2 0.7203 0.1037 0.134
77 4 0.0 0.25 0.125
78 1 0.4121 0.875 0.3379
79 1 0.875 0.3379 0.4121
80 2 0.866 0.2797 0.8963
81 2 0.2797 0.8963 0.866
82 4 0.0 0.75 0.875
83 1 0.9121 0.875 0.1621
84 1 0.875 0.1621 0.9121
85 1 0.4121 0.625 0.8379
86 1 0.625 0.8379 0.4121
87 1 0.0879 0.375 0.3379
88 1 0.375 0.3379 0.0879
89 2 0.3537 0.4703 0.616
90 2 0.4703 0.616 0.3537
91 2 0.866 0.2203 0.3963
92 2 0.2203 0.3963 0.866
93 2 0.6463 0.9703 0.884
94 2 0.9703 0.884 0.6463
95 4 0.5 0.75 0.625
96 4 0.5 0.25 0.875
97 1 0.5879 0.625 0.3379
98 1 0.625 0.3379 0.5879
99 1 0.5879 0.375 0.1621
100 1 0.375 0.1621 0.5879
101 1 0.4121 0.125 0.1621
102 1 0.125 0.1621 0.4121
103 2 0.1463 0.0297 0.884
104 2 0.0297 0.884 0.1463
105 2 0.134 0.7797 0.6037
106 2 0.7797 0.6037 0.134
107 2 0.8537 0.5297 0.616
108 2 0.5297 0.616 0.8537
109 4 0.5 0.75 0.125
110 4 0.0 0.25 0.625
111 2 0.134 0.2203 0.8963
112 2 0.2203 0.8963 0.134
113 1 0.4121 0.375 0.6621
114 1 0.375 0.6621 0.4121
115 2 0.866 0.7797 0.1037
116 2 0.7797 0.1037 0.866
117 1 0.9121 0.375 0.8379
118 1 0.375 0.8379 0.9121
119 1 0.0879 0.875 0.6621
120 1 0.875 0.6621 0.0879
121 2 0.3537 0.9703 0.384
122 2 0.9703 0.384 0.3537
123 2 0.866 0.7203 0.6037
124 2 0.7203 0.6037 0.866
125 2 0.6463 0.4703 0.116
126 2 0.4703 0.116 0.6463
127 4 0.5 0.25 0.375
128 1 0.5879 0.875 0.8379
129 1 0.875 0.8379 0.5879
130 2 0.1463 0.5297 0.116
131 2 0.5297 0.116 0.1463
132 2 0.134 0.2797 0.3963
133 2 0.2797 0.3963 0.134
134 2 0.8537 0.0297 0.384
135 2 0.0297 0.384 0.8537
136 4 0.0 0.75 0.375
137 2 0.366 0.7797 0.3963
138 2 0.7797 0.3963 0.366
139 1 0.0879 0.625 0.1621
140 1 0.625 0.1621 0.0879
141 2 0.634 0.2203 0.6037
142 2 0.2203 0.6037 0.634
143 2 0.634 0.2797 0.1037
144 2 0.2797 0.1037 0.634
145 1 0.9121 0.125 0.3379
146 1 0.125 0.3379 0.9121
147 2 0.366 0.7203 0.8963
148 2 0.7203 0.8963 0.366
149 2 0.366 0.2797 0.6037
150 2 0.2797 0.6037 0.366
151 1 0.0879 0.125 0.8379
152 1 0.125 0.8379 0.0879
153 2 0.634 0.7203 0.3963
154 2 0.7203 0.3963 0.634
155 2 0.634 0.7797 0.8963
156 2 0.7797 0.8963 0.634
157 1 0.9121 0.625 0.6621
158 1 0.625 0.6621 0.9121
159 2 0.366 0.2203 0.1037
160 2 0.2203 0.1037 0.366
161 2 0.384 0.1463 0.4703
162 2 0.116 0.8537 0.9703
163 2 0.116 0.3537 0.0297
164 2 0.384 0.6463 0.5297
165 2 0.616 0.1463 0.9703
166 2 0.884 0.8537 0.4703
167 2 0.884 0.3537 0.5297
168 2 0.616 0.6463 0.0297
169 2 0.6463 0.0297 0.616
170 2 0.5297 0.884 0.3537
171 2 0.3537 0.5297 0.884
172 2 0.0297 0.616 0.6463
173 2 0.8537 0.4703 0.884
174 2 0.9703 0.616 0.1463
175 2 0.1463 0.9703 0.616
176 2 0.4703 0.884 0.8537
177 2 0.6463 0.5297 0.384
178 2 0.0297 0.116 0.3537
179 2 0.3537 0.0297 0.116
180 2 0.5297 0.384 0.6463
181 2 0.8537 0.9703 0.116
182 2 0.4703 0.384 0.1463
183 2 0.1463 0.4703 0.384
184 2 0.9703 0.116 0.8537
X-ray density (g/cm cub.) = 2.42
MU (1/cm) = 115.615 Mass attenuation coefficient (cm**2/g) = 47.85
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.484 4
1.6552 2
1.6291 2
1.6291 2
1.6552 2
2 O 3.432 6
2.6202 2
2.7205 2
2.7154 2
2.7154 2
2.7205 2
2.5944 2
3 Ca ,H(2)O 3.6 12
3.5598 2
3.3941 2
3.5598 2
3.5598 2
3.5598 2
3.3941 2
3.3941 2
3.5598 2
3.5598 2
3.3941 2
3.3941 2
3.3941 2
4 Na ,Na 2.976 4
2.4979 2
2.4979 2
2.4979 2
2.4979 2
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 7.922 15.844 0.089 102.34 24 115.4 496.5
2 2 2 0 9.157 18.314 0.103 76.04 12 124.9 216.1
3 3 2 1 12.153 24.307 0.137 42.25 48 5.1 0.8
4 4 0 0 13.007 26.013 0.146 36.63 6 786.0 2062.4
5 4 2 0 14.574 29.148 0.163 28.77 24 20.1 4.2
6 3 3 2 15.302 30.604 0.171 25.91 24 341.2 1099.8
7 2 2 4 16.0 32.001 0.179 23.54 24 98.8 83.8
8 4 3 1 16.673 33.345 0.186 21.53 48 120.7 228.8
9 5 2 1 17.95 35.899 0.2 18.33 48 65.6 57.6
10 4 4 0 18.559 37.119 0.207 17.03 12 300.5 280.4
11 1 1 6 20.295 40.589 0.225 13.97 24 42.9 9.4
12 5 3 2 20.295 40.589 0.225 13.97 48 137.0 191.3
13 6 2 0 20.846 41.692 0.231 13.16 24 65.8 20.8
14 5 4 1 21.386 42.771 0.237 12.43 48 41.2 15.4
15 6 3 1 22.434 44.867 0.248 11.16 48 9.0 0.7
16 4 4 4 22.943 45.887 0.253 10.61 8 151.9 29.7
17 5 4 3 23.444 46.889 0.258 10.1 48 38.6 11.0
18 6 4 0 23.937 47.875 0.263 9.64 24 254.8 228.2
19 3 3 6 24.423 48.846 0.268 9.21 24 229.5 176.8
20 5 5 2 24.423 48.846 0.268 9.21 24 75.7 19.2
21 7 2 1 24.423 48.846 0.268 9.21 48 117.1 92.1
22 6 4 2 24.901 49.802 0.273 8.81 48 40.3 10.4
23 6 5 1 26.298 52.596 0.288 7.78 48 71.3 28.9
24 7 3 2 26.298 52.596 0.288 7.78 48 258.5 379.2
25 8 0 0 26.752 53.504 0.292 7.48 6 516.4 181.8
26 7 4 1 27.201 54.401 0.297 7.2 48 139.9 102.8
27 8 2 0 27.644 55.289 0.301 6.94 24 120.6 36.8
28 6 5 3 28.083 56.167 0.306 6.7 48 75.0 27.4
29 2 2 8 28.518 57.036 0.31 6.47 24 81.4 15.6
30 6 6 0 28.518 57.036 0.31 6.47 12 169.7 34.0
31 7 4 3 28.948 57.896 0.314 6.26 48 40.3 7.4
32 8 3 1 28.948 57.896 0.314 6.26 48 151.1 104.1
33 7 5 2 29.797 59.594 0.323 5.86 48 83.4 29.8
34 8 4 0 30.216 60.431 0.327 5.68 24 157.9 51.7
35 8 4 2 31.043 62.087 0.335 5.35 48 114.9 51.5
36 5 5 6 31.452 62.905 0.339 5.2 24 34.0 2.2
37 7 6 1 31.452 62.905 0.339 5.2 48 114.0 49.3
38 9 2 1 31.452 62.905 0.339 5.2 48 60.7 14.0
39 6 6 4 31.858 63.717 0.343 5.05 24 111.5 22.9
40 7 5 4 32.262 64.523 0.346 4.92 48 71.4 18.3
41 8 5 1 32.262 64.523 0.346 4.92 48 47.4 8.0
42 7 6 3 33.06 66.12 0.354 4.67 48 172.3 101.0
43 9 3 2 33.06 66.12 0.354 4.67 48 109.3 40.6
44 4 4 8 33.456 66.911 0.358 4.55 24 18.7 0.6
45 8 5 3 33.849 67.698 0.362 4.44 48 60.6 11.9
46 9 4 1 33.849 67.698 0.362 4.44 48 39.8 5.1
47 8 6 0 34.24 68.48 0.365 4.34 24 185.1 54.1
48 1 1 10 34.629 69.258 0.369 4.24 24 266.3 109.5
49 7 7 2 34.629 69.258 0.369 4.24 24 340.3 178.9
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 1 1 2 7.922 15.844 5.58892 496.5 24.1 24.2 5.6
2 2 2 0 9.157 18.314 4.84015 216.1 10.5 10.5 5.6
3 4 0 0 13.007 26.013 3.4225 2062.4 100.0 100.0 5.6
4 3 3 2 15.302 30.604 2.91872 1099.8 53.3 53.1 5.6
5 2 2 4 16.0 32.001 2.79446 83.8 4.1 4.0 5.6
6 4 3 1 16.673 33.345 2.68483 228.8 11.1 11.0 5.7
7 5 2 1 17.95 35.899 2.49944 57.6 2.8 2.8 5.7
8 4 4 0 18.559 37.119 2.42007 280.4 13.6 13.5 5.7
9 5 3 2 20.295 40.589 2.22081 200.6 9.7 9.6 5.7
10 6 2 0 20.846 41.692 2.16458 20.8 1.0 1.0 5.7
11 4 4 4 22.943 45.887 1.97598 29.7 1.4 1.4 5.7
12 6 4 0 23.937 47.875 1.89846 228.2 11.1 10.8 5.7
13 3 3 6 24.423 48.846 1.86297 288.1 14.0 13.7 5.7
14 7 3 2 26.298 52.596 1.73863 408.0 19.8 19.3 5.8
15 8 0 0 26.752 53.504 1.71125 181.8 8.8 8.6 5.8
16 7 4 1 27.201 54.401 1.68512 102.8 5.0 4.8 5.8
17 8 2 0 27.644 55.289 1.66016 36.8 1.8 1.7 5.8
18 6 5 3 28.083 56.167 1.63627 27.4 1.3 1.3 5.8
19 6 6 0 28.518 57.036 1.61338 49.6 2.4 2.3 5.8
20 8 3 1 28.948 57.896 1.59143 111.6 5.4 5.2 5.8
21 7 5 2 29.797 59.594 1.55009 29.8 1.4 1.4 5.8
22 8 4 0 30.216 60.431 1.53059 51.7 2.5 2.4 5.8
23 8 4 2 31.043 62.087 1.4937 51.5 2.5 2.4 5.8
24 9 2 1 31.452 62.905 1.47623 65.5 3.2 3.0 5.9
25 6 6 4 31.858 63.717 1.45936 22.9 1.1 1.1 5.9
26 7 5 4 32.262 64.523 1.44305 26.3 1.3 1.2 5.9
27 7 6 3 33.06 66.12 1.41202 141.6 6.9 6.6 5.9
28 8 6 0 34.24 68.48 1.369 54.1 2.6 2.5 5.9
29 7 7 2 34.629 69.258 1.35551 288.4 14.0 13.3 5.9
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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