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
2, Cs, f-feldspathoid
CsAlSi(2)O(6)
Cubic I a3d Z = 16
Ia3d
29 .6 .1991
Ref.Str.:
1. Taylor D. (1983)
* Mineral. Mag., 47, 319-326
2. Beger R.M. (1969)
* Z. Kristallogr., 129, 280-302
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.) = 96.59
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 0.68 Si = 0.7 , Al = 0.3
2 0.125 0.0 0.25 0.0 Cs = 1.00
3 0.1037 0.134 0.7203 2.28 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6621 0.5879 0.125
2 2 0.125 0.0 0.25
3 3 0.1037 0.134 0.7203
4 1 0.3379 0.4121 0.875
5 2 0.875 0.0 0.75
6 3 0.8963 0.866 0.2797
7 1 0.1621 0.9121 0.875
8 1 0.8379 0.4121 0.625
9 1 0.3379 0.0879 0.375
10 2 0.75 0.375 0.0
11 2 0.375 0.0 0.75
12 2 0.75 0.625 0.5
13 3 0.616 0.3537 0.4703
14 3 0.3963 0.866 0.2203
15 3 0.884 0.6463 0.9703
16 1 0.3379 0.5879 0.625
17 1 0.1621 0.5879 0.375
18 1 0.1621 0.4121 0.125
19 2 0.75 0.125 0.5
20 2 0.625 0.0 0.25
21 2 0.75 0.875 0.0
22 3 0.884 0.1463 0.0297
23 3 0.6037 0.134 0.7797
24 3 0.616 0.8537 0.5297
25 3 0.8963 0.134 0.2203
26 1 0.6621 0.4121 0.375
27 3 0.1037 0.866 0.7797
28 1 0.8379 0.9121 0.375
29 1 0.6621 0.0879 0.875
30 2 0.25 0.375 0.5
31 2 0.25 0.625 0.0
32 3 0.384 0.3537 0.9703
33 3 0.6037 0.866 0.7203
34 3 0.116 0.6463 0.4703
35 1 0.8379 0.5879 0.875
36 2 0.25 0.125 0.0
37 2 0.25 0.875 0.5
38 3 0.116 0.1463 0.5297
39 3 0.3963 0.134 0.2797
40 3 0.384 0.8537 0.0297
41 2 0.375 0.5 0.25
42 3 0.3963 0.366 0.7797
43 1 0.1621 0.0879 0.625
44 2 0.625 0.5 0.75
45 3 0.6037 0.634 0.2203
46 2 0.125 0.5 0.75
47 3 0.1037 0.634 0.2797
48 1 0.3379 0.9121 0.125
49 2 0.875 0.5 0.25
50 3 0.8963 0.366 0.7203
51 3 0.6037 0.366 0.2797
52 1 0.8379 0.0879 0.125
53 3 0.3963 0.634 0.7203
54 3 0.8963 0.634 0.7797
55 1 0.6621 0.9121 0.625
56 3 0.1037 0.366 0.2203
57 1 0.5879 0.125 0.6621
58 1 0.125 0.6621 0.5879
59 2 0.0 0.25 0.125
60 3 0.134 0.7203 0.1037
61 3 0.7203 0.1037 0.134
62 1 0.4121 0.875 0.3379
63 1 0.875 0.3379 0.4121
64 2 0.0 0.75 0.875
65 3 0.866 0.2797 0.8963
66 3 0.2797 0.8963 0.866
67 1 0.9121 0.875 0.1621
68 1 0.875 0.1621 0.9121
69 1 0.4121 0.625 0.8379
70 1 0.625 0.8379 0.4121
71 1 0.0879 0.375 0.3379
72 1 0.375 0.3379 0.0879
73 2 0.0 0.75 0.375
74 2 0.5 0.75 0.625
75 3 0.3537 0.4703 0.616
76 3 0.4703 0.616 0.3537
77 3 0.866 0.2203 0.3963
78 3 0.2203 0.3963 0.866
79 3 0.6463 0.9703 0.884
80 3 0.9703 0.884 0.6463
81 1 0.5879 0.625 0.3379
82 1 0.625 0.3379 0.5879
83 1 0.5879 0.375 0.1621
84 1 0.375 0.1621 0.5879
85 1 0.4121 0.125 0.1621
86 1 0.125 0.1621 0.4121
87 2 0.5 0.75 0.125
88 2 0.0 0.25 0.625
89 3 0.1463 0.0297 0.884
90 3 0.0297 0.884 0.1463
91 3 0.134 0.7797 0.6037
92 3 0.7797 0.6037 0.134
93 3 0.8537 0.5297 0.616
94 3 0.5297 0.616 0.8537
95 3 0.134 0.2203 0.8963
96 3 0.2203 0.8963 0.134
97 1 0.4121 0.375 0.6621
98 1 0.375 0.6621 0.4121
99 3 0.866 0.7797 0.1037
100 3 0.7797 0.1037 0.866
101 1 0.9121 0.375 0.8379
102 1 0.375 0.8379 0.9121
103 1 0.0879 0.875 0.6621
104 1 0.875 0.6621 0.0879
105 2 0.5 0.25 0.375
106 3 0.3537 0.9703 0.384
107 3 0.9703 0.384 0.3537
108 3 0.866 0.7203 0.6037
109 3 0.7203 0.6037 0.866
110 3 0.6463 0.4703 0.116
111 3 0.4703 0.116 0.6463
112 1 0.5879 0.875 0.8379
113 1 0.875 0.8379 0.5879
114 2 0.5 0.25 0.875
115 3 0.1463 0.5297 0.116
116 3 0.5297 0.116 0.1463
117 3 0.134 0.2797 0.3963
118 3 0.2797 0.3963 0.134
119 3 0.8537 0.0297 0.384
120 3 0.0297 0.384 0.8537
121 3 0.366 0.7797 0.3963
122 3 0.7797 0.3963 0.366
123 1 0.0879 0.625 0.1621
124 1 0.625 0.1621 0.0879
125 3 0.634 0.2203 0.6037
126 3 0.2203 0.6037 0.634
127 3 0.634 0.2797 0.1037
128 3 0.2797 0.1037 0.634
129 1 0.9121 0.125 0.3379
130 1 0.125 0.3379 0.9121
131 3 0.366 0.7203 0.8963
132 3 0.7203 0.8963 0.366
133 3 0.366 0.2797 0.6037
134 3 0.2797 0.6037 0.366
135 1 0.0879 0.125 0.8379
136 1 0.125 0.8379 0.0879
137 3 0.634 0.7203 0.3963
138 3 0.7203 0.3963 0.634
139 3 0.634 0.7797 0.8963
140 3 0.7797 0.8963 0.634
141 1 0.9121 0.625 0.6621
142 1 0.625 0.6621 0.9121
143 3 0.366 0.2203 0.1037
144 3 0.2203 0.1037 0.366
145 3 0.384 0.1463 0.4703
146 3 0.116 0.8537 0.9703
147 3 0.116 0.3537 0.0297
148 3 0.384 0.6463 0.5297
149 3 0.616 0.1463 0.9703
150 3 0.884 0.8537 0.4703
151 3 0.884 0.3537 0.5297
152 3 0.616 0.6463 0.0297
153 3 0.6463 0.0297 0.616
154 3 0.5297 0.884 0.3537
155 3 0.3537 0.5297 0.884
156 3 0.0297 0.616 0.6463
157 3 0.8537 0.4703 0.884
158 3 0.9703 0.616 0.1463
159 3 0.1463 0.9703 0.616
160 3 0.4703 0.884 0.8537
161 3 0.6463 0.5297 0.384
162 3 0.0297 0.116 0.3537
163 3 0.3537 0.0297 0.116
164 3 0.5297 0.384 0.6463
165 3 0.8537 0.9703 0.116
166 3 0.4703 0.384 0.1463
167 3 0.1463 0.4703 0.384
168 3 0.9703 0.116 0.8537
X-ray density (g/cm cub.) = 3.92
MU (1/cm) = 716.907 Mass attenuation coefficient (cm**2/g) = 182.914
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si ,Al 2.316 4
1.6552 3
1.6291 3
1.6291 3
1.6552 3
2 Cs 3.612 4
2.4979 3
2.4979 3
2.4979 3
2.4979 3
3 O 3.264 6
2.6202 3
2.7205 3
2.7154 3
2.7154 3
2.7205 3
2.5944 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 7.922 15.844 0.089 102.34 24 121.5 551.2
2 2 2 0 9.157 18.314 0.103 76.04 12 472.8 3098.0
3 3 2 1 12.153 24.307 0.137 42.25 48 436.8 5878.8
4 4 0 0 13.007 26.013 0.146 36.63 6 224.4 168.1
5 4 2 0 14.574 29.148 0.163 28.77 24 627.3 4126.9
6 3 3 2 15.302 30.604 0.171 25.91 24 549.7 2855.2
7 2 2 4 16.0 32.001 0.179 23.54 24 410.2 1444.0
8 4 3 1 16.673 33.345 0.186 21.53 48 115.3 208.9
9 5 2 1 17.95 35.899 0.2 18.33 48 468.7 2936.6
10 4 4 0 18.559 37.119 0.207 17.03 12 190.3 112.4
11 1 1 6 20.295 40.589 0.225 13.97 24 176.7 159.1
12 5 3 2 20.295 40.589 0.225 13.97 48 324.6 1073.4
13 6 2 0 20.846 41.692 0.231 13.16 24 230.5 255.0
14 5 4 1 21.386 42.771 0.237 12.43 48 35.7 11.6
15 6 3 1 22.434 44.867 0.248 11.16 48 350.9 1002.3
16 4 4 4 22.943 45.887 0.253 10.61 8 851.0 933.5
17 5 4 3 23.444 46.889 0.258 10.1 48 39.8 11.7
18 6 4 0 23.937 47.875 0.263 9.64 24 786.2 2171.7
19 3 3 6 24.423 48.846 0.268 9.21 24 417.0 583.7
20 5 5 2 24.423 48.846 0.268 9.21 24 257.0 221.7
21 7 2 1 24.423 48.846 0.268 9.21 48 311.5 651.6
22 6 4 2 24.901 49.802 0.273 8.81 48 237.2 361.4
23 6 5 1 26.298 52.596 0.288 7.78 48 405.8 934.0
24 7 3 2 26.298 52.596 0.288 7.78 48 108.6 66.9
25 8 0 0 26.752 53.504 0.292 7.48 6 1113.9 846.2
26 7 4 1 27.201 54.401 0.297 7.2 48 129.7 88.4
27 8 2 0 27.644 55.289 0.301 6.94 24 108.0 29.5
28 6 5 3 28.083 56.167 0.306 6.7 48 255.9 319.9
29 2 2 8 28.518 57.036 0.31 6.47 24 334.6 264.1
30 6 6 0 28.518 57.036 0.31 6.47 12 419.2 207.3
31 7 4 3 28.948 57.896 0.314 6.26 48 40.8 7.6
32 8 3 1 28.948 57.896 0.314 6.26 48 130.0 77.1
33 7 5 2 29.797 59.594 0.323 5.86 48 262.1 293.6
34 8 4 0 30.216 60.431 0.327 5.68 24 251.3 130.8
35 8 4 2 31.043 62.087 0.335 5.35 48 613.0 1466.1
36 5 5 6 31.452 62.905 0.339 5.2 24 225.3 96.2
37 7 6 1 31.452 62.905 0.339 5.2 48 295.3 330.6
38 9 2 1 31.452 62.905 0.339 5.2 48 130.1 64.2
39 6 6 4 31.858 63.717 0.343 5.05 24 360.7 239.8
40 7 5 4 32.262 64.523 0.346 4.92 48 73.7 19.5
41 8 5 1 32.262 64.523 0.346 4.92 48 34.9 4.4
42 7 6 3 33.06 66.12 0.354 4.67 48 160.7 87.9
43 9 3 2 33.06 66.12 0.354 4.67 48 412.5 579.0
44 4 4 8 33.456 66.911 0.358 4.55 24 342.1 194.2
45 8 5 3 33.849 67.698 0.362 4.44 48 57.2 10.6
46 9 4 1 33.849 67.698 0.362 4.44 48 36.8 4.4
47 8 6 0 34.24 68.48 0.365 4.34 24 164.1 42.6
48 1 1 10 34.629 69.258 0.369 4.24 24 417.8 269.5
49 7 7 2 34.629 69.258 0.369 4.24 24 478.2 353.1
50 8 6 2 35.016 70.032 0.372 4.14 48 204.2 125.9
51 10 2 0 35.016 70.032 0.372 4.14 24 327.9 162.4
52 9 4 3 35.401 70.802 0.376 4.05 48 18.7 1.0
53 7 6 5 36.166 72.331 0.383 3.88 48 259.4 190.6
54 9 5 2 36.166 72.331 0.383 3.88 48 291.7 241.1
55 10 3 1 36.166 72.331 0.383 3.88 48 149.6 63.4
56 8 7 1 36.924 73.848 0.39 3.73 48 165.6 74.7
57 8 6 4 37.301 74.602 0.393 3.66 48 457.3 558.7
58 10 4 0 37.301 74.602 0.393 3.66 24 403.8 217.9
59 3 3 10 37.677 75.353 0.397 3.6 24 370.3 179.9
60 9 6 1 37.677 75.353 0.397 3.6 48 125.3 41.2
61 10 4 2 38.051 76.102 0.4 3.54 48 300.5 232.9
62 8 7 3 38.424 76.848 0.403 3.48 48 58.1 8.6
63 9 5 4 38.424 76.848 0.403 3.48 48 36.1 3.3
64 9 6 3 39.167 78.334 0.41 3.37 48 399.4 391.4
65 10 5 1 39.167 78.334 0.41 3.37 48 129.4 41.1
66 11 2 1 39.167 78.334 0.41 3.37 48 324.4 258.3
67 8 8 0 39.537 79.074 0.413 3.31 12 747.1 337.2
68 7 7 6 40.642 81.283 0.423 3.18 24 361.7 151.6
69 9 7 2 40.642 81.283 0.423 3.18 48 179.6 74.7
70 10 5 3 40.642 81.283 0.423 3.18 48 314.3 228.9
71 11 3 2 40.642 81.283 0.423 3.18 48 260.0 156.6
72 6 6 8 41.008 82.016 0.426 3.14 24 335.6 128.9
73 10 6 0 41.008 82.016 0.426 3.14 24 166.8 31.8
74 8 7 5 41.374 82.748 0.429 3.1 48 101.3 23.2
75 11 4 1 41.374 82.748 0.429 3.1 48 98.4 21.9
76 10 6 2 41.74 83.479 0.432 3.06 48 2.0 0.0
77 9 6 5 42.105 84.209 0.435 3.03 48 279.8 172.9
78 8 8 4 42.469 84.938 0.438 3.0 24 284.5 88.4
79 12 0 0 42.469 84.938 0.438 3.0 6 254.8 17.7
80 9 7 4 42.833 85.666 0.441 2.97 48 47.1 4.8
81 9 8 1 42.833 85.666 0.441 2.97 48 41.5 3.7
82 11 4 3 42.833 85.666 0.441 2.97 48 30.4 2.0
83 12 2 0 43.197 86.393 0.444 2.94 24 385.1 158.9
84 5 5 10 43.56 87.12 0.447 2.91 24 396.9 167.3
85 10 7 1 43.56 87.12 0.447 2.91 48 289.2 177.6
86 11 5 2 43.56 87.12 0.447 2.91 48 273.8 159.3
87 2 2 12 43.923 87.846 0.45 2.89 24 273.5 78.8
88 10 6 4 43.923 87.846 0.45 2.89 48 198.0 82.6
89 9 8 3 44.286 88.572 0.453 2.87 48 31.9 2.1
90 12 3 1 44.286 88.572 0.453 2.87 48 47.4 4.7
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 551.2 9.4 9.4 5.6
2 2 2 0 9.157 18.314 4.84015 3098.0 52.7 52.9 5.6
3 3 2 1 12.153 24.307 3.65881 5878.8 100.0 100.0 5.6
4 4 0 0 13.007 26.013 3.4225 168.1 2.9 2.9 5.6
5 4 2 0 14.574 29.148 3.06118 4126.9 70.2 69.9 5.6
6 3 3 2 15.302 30.604 2.91872 2855.2 48.6 48.3 5.6
7 2 2 4 16.0 32.001 2.79446 1444.0 24.6 24.4 5.6
8 4 3 1 16.673 33.345 2.68483 208.9 3.6 3.5 5.7
9 5 2 1 17.95 35.899 2.49944 2936.6 50.0 49.5 5.7
10 4 4 0 18.559 37.119 2.42007 112.4 1.9 1.9 5.7
11 5 3 2 20.295 40.589 2.22081 1232.5 21.0 20.7 5.7
12 6 2 0 20.846 41.692 2.16458 255.0 4.3 4.3 5.7
13 6 3 1 22.434 44.867 2.01848 1002.3 17.0 16.7 5.7
14 4 4 4 22.943 45.887 1.97598 933.5 15.9 15.6 5.7
15 6 4 0 23.937 47.875 1.89846 2171.7 36.9 36.1 5.7
16 7 2 1 24.423 48.846 1.86297 1456.9 24.8 24.2 5.7
17 6 4 2 24.901 49.802 1.8294 361.4 6.1 6.0 5.7
18 6 5 1 26.298 52.596 1.73863 1000.9 17.0 16.6 5.8
19 8 0 0 26.752 53.504 1.71125 846.2 14.4 14.0 5.8
20 7 4 1 27.201 54.401 1.68512 88.4 1.5 1.5 5.8
21 6 5 3 28.083 56.167 1.63627 319.9 5.4 5.3 5.8
22 2 2 8 28.518 57.036 1.61338 471.4 8.0 7.8 5.8
23 8 3 1 28.948 57.896 1.59143 84.7 1.4 1.4 5.8
24 7 5 2 29.797 59.594 1.55009 293.6 5.0 4.8 5.8
25 8 4 0 30.216 60.431 1.53059 130.8 2.2 2.1 5.8
26 8 4 2 31.043 62.087 1.4937 1466.1 24.9 23.9 5.8
27 7 6 1 31.452 62.905 1.47623 491.0 8.4 8.0 5.9
28 6 6 4 31.858 63.717 1.45936 239.8 4.1 3.9 5.9
29 9 3 2 33.06 66.12 1.41202 666.9 11.3 10.8 5.9
30 4 4 8 33.456 66.911 1.39723 194.2 3.3 3.1 5.9
31 7 7 2 34.629 69.258 1.35551 622.6 10.6 10.0 5.9
32 10 2 0 35.016 70.032 1.34241 288.3 4.9 4.6 5.9
33 9 5 2 36.166 72.331 1.30529 495.0 8.4 7.9 5.9
34 8 7 1 36.924 73.848 1.28219 74.7 1.3 1.2 6.0
35 8 6 4 37.301 74.602 1.27108 776.6 13.2 12.4 6.0
36 3 3 10 37.677 75.353 1.26027 221.1 3.8 3.5 6.0
37 10 4 2 38.051 76.102 1.24972 232.9 4.0 3.7 6.0
38 9 6 3 39.167 78.334 1.2196 690.8 11.8 10.9 6.0
39 8 8 0 39.537 79.074 1.21004 337.2 5.7 5.3 6.0
40 11 3 2 40.642 81.283 1.18264 611.8 10.4 9.6 6.1
41 6 6 8 41.008 82.016 1.17391 160.7 2.7 2.5 6.1
42 9 6 5 42.105 84.209 1.14884 172.9 2.9 2.7 6.1
43 8 8 4 42.469 84.938 1.14083 106.2 1.8 1.7 6.1
44 12 2 0 43.197 86.393 1.12531 158.9 2.7 2.5 6.1
45 10 7 1 43.56 87.12 1.11778 504.2 8.6 7.8 6.1
46 10 6 4 43.923 87.846 1.11041 161.4 2.7 2.5 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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