Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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ZEOLITE
67, syn, JBW-dehydrated, ZL, DN
KNa(2)Al(3)[SiO(4)](3)
Triclinic P 1(-) Z = 2
P1(-)
1 .8 .23
Ref.Str.:
Asselman K., Radhakrishnan S., Pellens N., Vinod Chandran C.,
Houlleberghs M., Xu Y., Martens J.A., Breynaert E. (2022)
* Chemistry of Materials, 34, 7159
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.9458 alpha = 89.85
b = 5.1687 beta = 93.61
c = 15.1654 gamma = 89.95
Unit cell volume (cub. angs.) = 621.59
Molar volume ( cub.cm/mol.) = 187.2
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.131 0.2527 0.4048 0.0 Al = 1.00
2 0.0824 0.2732 0.1089 0.0 Al = 1.00
3 0.588 0.7787 0.2385 0.0 Al = 1.00
4 0.8578 0.7625 0.0934 0.0 Si = 1.00
5 0.8949 0.7724 0.3825 0.0 Si = 1.00
6 0.6227 0.7242 0.7388 0.0 Si = 1.00
7 0.9219 0.0581 0.118 0.0 O = 1.00
8 0.0521 0.5663 0.3803 0.0 O = 1.00
9 0.0238 0.9439 0.6507 0.0 O = 1.00
10 0.0105 0.4356 0.8566 0.0 O = 1.00
11 0.1759 0.2793 0.0092 0.0 O = 1.00
12 0.5881 0.405 0.7487 0.0 O = 1.00
13 0.1518 0.2097 0.5131 0.0 O = 1.00
14 0.2326 0.204 0.1873 0.0 O = 1.00
15 0.3238 0.2424 0.3618 0.0 O = 1.00
16 0.7289 0.6976 0.3225 0.0 O = 1.00
17 0.6847 0.7108 0.1423 0.0 O = 1.00
18 0.552 0.1148 0.2486 0.0 O = 1.00
19 0.5123 0.1086 0.5061 0.0 K = 0.5 , K = 0.0
20 0.4802 0.599 0.9883 0.0 K = 0.5 , K = 0.0
21 0.8325 0.1993 0.7486 0.0 Na = 1.00
22 0.1631 0.7119 0.754 0.0 Na = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.131 0.2527 0.4048
2 2 0.0824 0.2732 0.1089
3 3 0.588 0.7787 0.2385
4 4 0.8578 0.7625 0.0934
5 5 0.8949 0.7724 0.3825
6 6 0.6227 0.7242 0.7388
7 7 0.9219 0.0581 0.118
8 8 0.0521 0.5663 0.3803
9 9 0.0238 0.9439 0.6507
10 10 0.0105 0.4356 0.8566
11 11 0.1759 0.2793 0.0092
12 12 0.5881 0.405 0.7487
13 13 0.1518 0.2097 0.5131
14 14 0.2326 0.204 0.1873
15 15 0.3238 0.2424 0.3618
16 16 0.7289 0.6976 0.3225
17 17 0.6847 0.7108 0.1423
18 18 0.552 0.1148 0.2486
19 19 0.5123 0.1086 0.5061
20 20 0.4802 0.599 0.9883
21 21 0.8325 0.1993 0.7486
22 22 0.1631 0.7119 0.754
23 1 0.869 0.7473 0.5952
24 2 0.9176 0.7268 0.8911
25 3 0.412 0.2213 0.7615
26 4 0.1422 0.2375 0.9066
27 5 0.1051 0.2276 0.6175
28 6 0.3773 0.2758 0.2612
29 7 0.0781 0.9419 0.882
30 8 0.9479 0.4337 0.6197
31 9 0.9762 0.0561 0.3493
32 10 0.9895 0.5644 0.1434
33 11 0.8241 0.7207 0.9908
34 12 0.4119 0.595 0.2513
35 13 0.8482 0.7903 0.4869
36 14 0.7674 0.796 0.8127
37 15 0.6762 0.7576 0.6382
38 16 0.2711 0.3024 0.6775
39 17 0.3153 0.2892 0.8577
40 18 0.448 0.8852 0.7514
41 19 0.4877 0.8914 0.4939
42 20 0.5198 0.401 0.0117
43 21 0.1675 0.8007 0.2514
44 22 0.8369 0.2881 0.246
X-ray density (g/cm cub.) = 2.36
MU (1/cm) = 97.33 Mass attenuation coefficient (cm**2/g) = 41.203
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.316 4
1.7676 8
1.6538 13
1.7037 15
1.7691 9
2 Al 2.316 4
1.7044 7
1.7262 11
1.6682 14
1.7703 10
3 Al 2.316 4
1.6932 16
1.7276 17
1.769 18
1.7128 12
4 Si 2.1 4
1.6469 7
1.6257 17
1.6164 10
1.5779 11
5 Si 2.1 4
1.643 8
1.6031 16
1.6909 9
1.6517 13
6 Si 2.1 4
1.6809 12
1.5982 14
1.6183 15
1.6399 18
7 O 3.264 6
2.9178 11
2.7295 14
2.6456 17
2.6956 10
2.6298 10
2.683 11
8 O 3.264 6
2.8026 13
2.7596 15
2.7451 16
2.6359 9
2.7413 9
2.6298 13
9 O 3.264 6
2.7447 13
2.6359 8
2.7413 8
2.8848 13
2.9204 15
2.7151 16
10 O 3.264 6
2.7095 11
2.6956 7
2.6298 7
2.9823 11
2.7328 14
2.5355 17
11 O 3.264 6
2.9178 7
2.7095 10
2.7364 14
2.683 7
2.9823 10
2.6142 17
12 O 3.264 6
2.6263 14
2.5986 15
2.7301 16
2.8703 17
2.7212 18
2.9103 18
13 O 3.264 7
2.8026 8
2.7447 9
2.7483 15
2.6298 8
2.8848 9
3.2515 13
2.6559 16
14 O 3.264 6
2.7295 7
2.7364 11
2.7065 15
2.6866 18
2.7328 10
2.6263 12
15 O 3.264 6
2.7596 8
2.7483 13
2.7065 14
2.6585 18
2.9204 9
2.5986 12
16 O 3.264 6
2.7451 8
2.7337 17
2.7686 18
2.7151 9
2.7301 12
2.6559 13
17 O 3.264 6
2.6456 7
2.7337 16
2.8802 18
2.5355 10
2.6142 11
2.8703 12
18 O 3.264 6
2.6866 14
2.6585 15
2.7686 16
2.8802 17
2.7212 12
2.9103 12
19 K ,K 3.228 4
2.9193 13
2.6622 15
3.1631 13
2.9417 15
20 K ,K 3.228 4
2.9625 11
2.8214 17
2.8029 11
2.8111 17
21 Na 2.808 5
2.5586 9
2.4291 10
2.2127 12
2.5191 8
2.3694 14
22 Na 2.808 5
2.2108 9
2.4816 10
2.4112 7
2.5884 16
2.4378 18
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 0 0 1 2.917 5.834 0.033 769.17 2 1.0 0.4
2 1 0 0 5.574 11.148 0.063 209.0 2 54.7 324.1
3 0 0 2 5.842 11.684 0.066 190.07 2 62.2 381.0
4 -1 0 1 6.13 12.26 0.069 172.44 2 1.2 0.1
5 1 0 1 6.457 12.915 0.073 155.16 2 1.5 0.2
6 -1 0 2 7.828 15.656 0.088 104.87 2 14.4 11.3
7 1 0 2 8.341 16.681 0.094 92.11 2 63.3 191.0
8 0 1 0 8.571 17.141 0.097 87.11 2 0.3 0.0
9 0 0 3 8.782 17.565 0.099 82.86 2 5.2 1.2
10 0 1 1 9.053 18.106 0.102 77.85 2 32.0 41.2
11 0 -1 1 9.068 18.136 0.102 77.58 2 31.0 38.6
12 -1 0 3 10.12 20.241 0.114 61.86 2 18.8 11.3
13 1 1 0 10.242 20.484 0.115 60.35 2 114.0 406.2
14 -1 1 0 10.252 20.504 0.116 60.23 2 121.6 460.9
15 0 1 2 10.384 20.768 0.117 58.65 2 2.6 0.2
16 0 -1 2 10.411 20.821 0.117 58.34 2 2.9 0.3
17 -1 1 1 10.562 21.125 0.119 56.61 2 15.0 6.6
18 -1 -1 1 10.566 21.131 0.119 56.58 2 17.4 8.8
19 1 0 3 10.723 21.445 0.121 54.87 2 17.4 8.6
20 1 1 1 10.749 21.498 0.121 54.59 2 28.1 22.3
21 1 -1 1 10.772 21.543 0.121 54.35 2 27.7 21.6
22 2 0 0 11.202 22.404 0.126 50.1 2 39.4 40.3
23 -2 0 1 11.402 22.805 0.128 48.28 2 17.2 7.4
24 -1 1 2 11.64 23.28 0.131 46.24 2 3.3 0.3
25 -1 -1 2 11.655 23.31 0.131 46.12 2 0.4 0.0
26 0 0 4 11.746 23.492 0.132 45.38 2 12.3 3.6
27 2 0 1 11.765 23.531 0.132 45.22 2 10.3 2.5
28 1 1 2 11.987 23.975 0.135 43.48 2 53.6 64.6
29 1 -1 2 12.019 24.039 0.135 43.24 2 48.1 51.7
30 0 1 3 12.302 24.604 0.138 41.18 2 18.9 7.6
31 -2 0 2 12.331 24.662 0.139 40.98 2 36.2 27.8
32 0 -1 3 12.336 24.672 0.139 40.95 2 32.9 22.9
33 -1 0 4 12.707 25.414 0.143 38.47 2 165.1 543.1
34 2 0 2 12.999 25.998 0.146 36.67 2 14.1 3.8
35 -1 1 3 13.309 26.618 0.149 34.89 2 32.8 19.5
36 -1 -1 3 13.333 26.665 0.15 34.76 2 16.0 4.6
37 1 0 4 13.357 26.714 0.15 34.62 2 122.8 270.1
38 1 1 3 13.772 27.544 0.155 32.45 2 39.4 26.1
39 1 -1 3 13.81 27.62 0.155 32.26 2 44.3 32.8
40 -2 0 3 13.851 27.703 0.155 32.06 2 6.2 0.6
41 2 1 0 14.165 28.331 0.159 30.56 2 17.5 4.8
42 -2 1 0 14.18 28.361 0.159 30.5 2 21.1 7.0
43 -2 -1 1 14.332 28.663 0.161 29.81 2 19.9 6.1
44 -2 1 1 14.337 28.673 0.161 29.79 2 14.4 3.2
45 0 1 4 14.594 29.188 0.164 28.68 2 9.7 1.4
46 2 1 1 14.617 29.234 0.164 28.59 2 37.5 20.8
47 0 -1 4 14.633 29.265 0.164 28.52 2 1.9 0.1
48 2 -1 1 14.641 29.282 0.164 28.48 2 35.2 18.2
49 0 0 5 14.742 29.484 0.165 28.07 2 0.8 0.0
50 2 0 3 14.746 29.493 0.165 28.05 2 1.1 0.0
51 -2 1 2 15.093 30.185 0.169 26.69 2 85.6 101.3
52 -2 -1 2 15.097 30.195 0.169 26.67 2 93.6 121.0
53 -1 1 4 15.393 30.787 0.172 25.58 2 42.7 24.1
54 -1 -1 4 15.423 30.846 0.173 25.48 2 37.9 18.9
55 -1 0 5 15.462 30.923 0.173 25.34 2 12.5 2.0
56 2 1 2 15.638 31.275 0.175 24.73 2 124.5 198.5
57 2 -1 2 15.67 31.339 0.175 24.62 2 112.9 162.4
58 -2 0 4 15.807 31.613 0.177 24.17 2 34.4 14.8
59 1 1 4 15.936 31.872 0.178 23.75 2 76.1 71.2
60 1 -1 4 15.978 31.957 0.179 23.61 2 68.3 56.9
61 1 0 5 16.143 32.286 0.18 23.09 2 18.6 4.1
62 -2 1 3 16.373 32.746 0.183 22.4 2 70.3 57.2
63 -2 -1 3 16.386 32.772 0.183 22.36 2 40.6 19.1
64 2 0 4 16.865 33.73 0.188 21.0 2 24.9 6.7
65 3 0 0 16.942 33.884 0.189 20.79 2 62.7 42.3
66 -3 0 1 17.016 34.032 0.19 20.6 2 13.5 1.9
67 0 1 5 17.13 34.26 0.191 20.3 2 40.7 17.4
68 2 1 3 17.136 34.272 0.191 20.29 2 36.8 14.2
69 0 -1 5 17.172 34.344 0.192 20.19 2 19.6 4.0
70 2 -1 3 17.174 34.348 0.192 20.19 2 54.3 30.8
71 0 2 0 17.341 34.682 0.193 19.77 2 157.1 252.5
72 3 0 1 17.395 34.79 0.194 19.63 2 4.9 0.2
73 0 2 1 17.592 35.184 0.196 19.16 2 18.3 3.3
74 0 -2 1 17.608 35.216 0.196 19.12 2 22.1 4.9
75 -3 0 2 17.611 35.222 0.196 19.11 2 64.3 40.9
76 -1 1 5 17.766 35.533 0.198 18.75 2 1.4 0.0
77 0 0 6 17.78 35.56 0.198 18.72 2 53.8 28.1
78 -1 -1 5 17.801 35.601 0.198 18.67 2 0.5 0.0
79 -2 0 5 18.075 36.15 0.201 18.05 2 6.5 0.4
80 -2 1 4 18.079 36.158 0.201 18.04 2 101.7 96.5
81 -2 -1 4 18.099 36.198 0.202 18.0 2 101.4 95.9
82 1 2 0 18.263 36.527 0.203 17.65 2 20.3 3.8
83 -1 2 0 18.275 36.551 0.204 17.62 2 28.5 7.4
84 -1 0 6 18.334 36.667 0.204 17.5 2 7.6 0.5
85 3 0 2 18.341 36.682 0.204 17.48 2 29.9 8.1
86 0 2 2 18.342 36.685 0.204 17.48 2 38.5 13.4
87 1 1 5 18.366 36.731 0.205 17.43 2 5.6 0.3
88 0 -2 2 18.374 36.748 0.205 17.41 2 39.4 14.0
89 1 -1 5 18.411 36.822 0.205 17.34 2 12.1 1.3
90 -1 2 1 18.456 36.912 0.205 17.24 2 9.4 0.8
91 -1 -2 1 18.46 36.92 0.206 17.24 2 0.0 0.0
92 1 2 1 18.563 37.125 0.207 17.03 2 12.8 1.4
93 1 -2 1 18.59 37.18 0.207 16.97 2 14.8 1.9
94 -3 0 3 18.684 37.367 0.208 16.78 2 14.5 1.8
95 2 1 4 19.014 38.029 0.211 16.15 2 46.4 18.0
96 1 0 6 19.039 38.079 0.212 16.1 2 38.6 12.4
97 2 -1 4 19.057 38.113 0.212 16.07 2 25.1 5.2
98 3 1 0 19.096 38.193 0.212 15.99 2 58.9 28.7
99 -3 1 0 19.114 38.228 0.213 15.96 2 17.0 2.4
100 -1 2 2 19.12 38.24 0.213 15.95 2 31.8 8.4
101 -1 -2 2 19.139 38.277 0.213 15.92 2 41.9 14.5
102 -3 -1 1 19.167 38.334 0.213 15.86 2 18.1 2.7
103 -3 1 1 19.177 38.353 0.213 15.85 2 39.9 13.1
104 2 0 5 19.253 38.505 0.214 15.71 2 7.0 0.4
105 1 2 2 19.338 38.676 0.215 15.56 2 54.4 23.8
106 1 -2 2 19.379 38.759 0.215 15.48 2 48.3 18.7
107 3 1 1 19.502 39.004 0.217 15.27 2 62.5 30.9
108 3 -1 1 19.527 39.053 0.217 15.22 2 60.9 29.2
109 0 2 3 19.543 39.086 0.217 15.2 2 8.6 0.6
110 0 -2 3 19.588 39.176 0.218 15.12 2 4.7 0.2
111 -3 -1 2 19.709 39.419 0.219 14.91 2 1.1 0.0
112 -3 1 2 19.711 39.423 0.219 14.91 2 24.9 4.8
113 3 0 3 19.718 39.437 0.219 14.9 2 4.1 0.1
114 0 1 6 19.842 39.683 0.22 14.69 2 11.7 1.0
115 0 -1 6 19.886 39.772 0.221 14.62 2 9.3 0.7
116 -2 1 5 20.12 40.24 0.223 14.24 2 14.6 1.6
117 -2 -1 5 20.146 40.291 0.224 14.2 2 0.4 0.0
118 -3 0 4 20.169 40.338 0.224 14.17 2 64.6 30.6
119 -1 2 3 20.226 40.453 0.224 14.08 2 29.7 6.4
120 -1 -2 3 20.259 40.518 0.225 14.03 2 37.5 10.2
121 -1 1 6 20.35 40.7 0.226 13.89 2 36.7 9.7
122 3 1 2 20.36 40.721 0.226 13.87 2 10.1 0.7
123 -1 -1 6 20.388 40.776 0.226 13.83 2 29.8 6.4
124 3 -1 2 20.391 40.782 0.226 13.83 2 1.7 0.0
125 1 2 3 20.544 41.087 0.228 13.6 2 19.7 2.7
126 -2 0 6 20.575 41.15 0.228 13.55 2 3.8 0.1
127 1 -2 3 20.597 41.195 0.228 13.52 2 15.3 1.6
128 -3 1 3 20.687 41.375 0.229 13.39 2 33.4 7.7
129 -3 -1 3 20.693 41.385 0.229 13.38 2 48.8 16.5
130 2 2 0 20.83 41.661 0.231 13.18 2 67.0 30.6
131 -2 2 0 20.852 41.704 0.231 13.15 2 70.1 33.4
132 0 0 7 20.87 41.741 0.231 13.13 2 14.8 1.5
133 -2 -2 1 20.953 41.906 0.232 13.01 2 39.8 10.7
134 -2 2 1 20.96 41.921 0.232 13.0 2 41.1 11.4
135 1 1 6 20.993 41.987 0.233 12.96 2 2.0 0.0
136 1 -1 6 21.041 42.082 0.233 12.89 2 6.4 0.3
137 0 2 4 21.13 42.26 0.234 12.77 2 10.2 0.7
138 2 2 1 21.152 42.304 0.234 12.74 2 6.8 0.3
139 0 -2 4 21.186 42.372 0.235 12.69 2 17.1 1.9
140 2 -2 1 21.187 42.374 0.235 12.69 2 0.3 0.0
141 2 1 5 21.191 42.382 0.235 12.69 2 63.3 26.3
142 2 -1 5 21.237 42.473 0.235 12.63 2 65.5 28.1
143 -1 0 7 21.303 42.606 0.236 12.54 2 11.8 0.9
144 3 0 4 21.459 42.918 0.237 12.33 2 95.5 58.3
145 -2 2 2 21.507 43.014 0.238 12.27 2 28.9 5.3
146 -2 -2 2 21.514 43.028 0.238 12.26 2 43.6 12.1
147 3 1 3 21.626 43.252 0.239 12.12 2 34.3 7.4
148 3 -1 3 21.662 43.325 0.24 12.08 2 33.5 7.0
149 -1 2 4 21.72 43.44 0.24 12.0 2 18.1 2.0
150 -1 -2 4 21.765 43.529 0.241 11.95 2 9.4 0.5
151 2 0 6 21.846 43.691 0.242 11.85 2 9.4 0.5
152 2 2 2 21.902 43.804 0.242 11.78 2 19.8 2.4
153 2 -2 2 21.95 43.899 0.243 11.72 2 16.5 1.7
154 -3 0 5 21.999 43.999 0.243 11.66 2 11.1 0.7
155 1 0 7 22.032 44.063 0.243 11.63 2 1.0 0.0
156 -3 1 4 22.057 44.114 0.244 11.6 2 48.8 14.3
157 -3 -1 4 22.069 44.137 0.244 11.58 2 43.2 11.2
158 1 2 4 22.122 44.245 0.244 11.52 2 10.5 0.7
159 1 -2 4 22.187 44.373 0.245 11.44 2 1.4 0.0
160 -2 1 6 22.426 44.852 0.248 11.17 2 52.5 15.9
161 -2 -1 6 22.456 44.912 0.248 11.14 2 45.6 12.0
162 -2 2 3 22.466 44.932 0.248 11.12 2 12.0 0.8
163 -2 -2 3 22.486 44.972 0.248 11.1 2 2.4 0.0
164 0 1 7 22.693 45.386 0.25 10.87 2 35.9 7.3
165 0 -1 7 22.739 45.479 0.251 10.82 2 43.4 10.5
166 4 0 0 22.864 45.727 0.252 10.69 2 63.5 22.3
167 -4 0 1 22.872 45.743 0.252 10.68 2 13.2 1.0
168 0 2 5 23.04 46.081 0.254 10.51 2 42.1 9.6
169 2 2 3 23.047 46.093 0.254 10.5 2 20.5 2.3
170 -1 1 7 23.101 46.202 0.255 10.45 2 23.3 2.9
171 2 -2 3 23.106 46.211 0.255 10.44 2 6.1 0.2
172 0 -2 5 23.106 46.212 0.255 10.44 2 51.1 14.1
173 -1 -1 7 23.142 46.284 0.255 10.4 2 29.6 4.7
174 3 1 4 23.247 46.495 0.256 10.3 2 5.8 0.2
175 -2 0 7 23.259 46.517 0.256 10.29 2 7.9 0.3
176 4 0 1 23.268 46.535 0.256 10.28 2 1.9 0.0
177 3 -1 4 23.288 46.576 0.257 10.26 2 13.3 0.9
178 -4 0 2 23.291 46.582 0.257 10.25 2 31.8 5.4
179 3 0 5 23.501 47.003 0.259 10.05 2 12.2 0.8
180 -1 2 5 23.544 47.088 0.259 10.01 2 37.4 7.3
181 -1 -2 5 23.599 47.197 0.26 9.95 2 45.4 10.6
182 2 1 6 23.607 47.213 0.26 9.95 2 25.5 3.3
183 2 -1 6 23.655 47.31 0.26 9.9 2 23.2 2.8
184 -3 1 5 23.767 47.533 0.262 9.79 2 8.7 0.4
185 1 1 7 23.781 47.562 0.262 9.78 2 0.2 0.0
186 -3 -1 5 23.784 47.568 0.262 9.78 2 33.0 5.5
187 -2 2 4 23.799 47.597 0.262 9.76 2 13.9 1.0
188 -2 -2 4 23.83 47.661 0.262 9.73 2 22.9 2.6
189 1 -1 7 23.831 47.661 0.262 9.73 2 12.5 0.8
190 1 2 5 24.018 48.036 0.264 9.56 2 8.9 0.4
191 0 0 8 24.026 48.051 0.264 9.56 2 166.3 136.8
192 4 0 2 24.067 48.135 0.265 9.52 2 25.9 3.3
193 1 -2 5 24.091 48.182 0.265 9.5 2 7.8 0.3
194 -4 0 3 24.105 48.21 0.265 9.48 2 3.5 0.1
195 -3 0 6 24.116 48.233 0.265 9.47 2 1.0 0.0
196 -1 0 8 24.367 48.733 0.268 9.25 2 39.0 7.3
197 2 2 4 24.544 49.088 0.27 9.1 2 18.1 1.5
198 4 1 0 24.582 49.164 0.27 9.07 2 37.9 6.8
199 -4 -1 1 24.592 49.185 0.27 9.06 2 25.5 3.0
200 -4 1 0 24.601 49.201 0.27 9.06 2 33.0 5.1
201 -4 1 1 24.605 49.21 0.27 9.05 2 27.8 3.6
202 2 0 7 24.607 49.214 0.27 9.05 2 15.8 1.2
203 2 -2 4 24.613 49.226 0.27 9.05 2 28.0 3.7
204 3 2 0 24.621 49.242 0.27 9.04 2 52.5 12.9
205 -3 2 0 24.649 49.299 0.271 9.02 2 61.6 17.7
206 -3 -2 1 24.682 49.364 0.271 8.99 2 37.9 6.7
207 -3 2 1 24.698 49.395 0.271 8.98 2 38.4 6.9
208 -2 1 7 24.948 49.897 0.274 8.77 2 42.2 8.1
209 3 2 1 24.951 49.901 0.274 8.77 2 20.7 2.0
210 4 1 1 24.961 49.923 0.274 8.76 2 12.5 0.7
211 -2 -1 7 24.982 49.965 0.274 8.74 2 29.7 4.0
212 4 -1 1 24.986 49.972 0.274 8.74 2 22.5 2.3
213 3 -2 1 24.991 49.982 0.274 8.74 2 16.1 1.2
214 -4 -1 2 24.993 49.985 0.274 8.74 2 47.0 10.0
215 -4 1 2 24.999 49.998 0.274 8.73 2 53.6 13.0
216 1 0 8 25.118 50.236 0.276 8.64 2 30.3 4.1
217 -3 -2 2 25.131 50.261 0.276 8.63 2 7.2 0.2
218 -3 2 2 25.134 50.268 0.276 8.62 2 4.4 0.1
219 3 1 5 25.173 50.346 0.276 8.59 2 17.3 1.3
220 3 -1 5 25.218 50.435 0.277 8.56 2 24.7 2.7
221 0 2 6 25.222 50.445 0.277 8.56 2 75.8 25.5
222 4 0 3 25.235 50.469 0.277 8.55 2 2.5 0.0
223 -4 0 4 25.285 50.57 0.277 8.51 2 9.2 0.4
224 0 -2 6 25.296 50.591 0.277 8.5 2 67.5 20.0
225 -2 2 5 25.461 50.922 0.279 8.37 2 3.3 0.0
226 -2 -2 5 25.504 51.007 0.279 8.34 2 14.0 0.8
227 -1 2 6 25.648 51.295 0.281 8.24 2 10.3 0.4
228 3 2 2 25.659 51.318 0.281 8.23 2 23.8 2.4
229 0 1 8 25.67 51.34 0.281 8.22 2 30.2 3.9
230 3 -2 2 25.711 51.421 0.282 8.19 2 23.1 2.3
231 -1 -2 6 25.711 51.422 0.282 8.19 2 25.1 2.7
232 0 -1 8 25.718 51.436 0.282 8.18 2 27.3 3.1
233 4 1 2 25.718 51.437 0.282 8.18 2 2.5 0.0
234 4 -1 2 25.749 51.498 0.282 8.16 2 27.0 3.1
235 -3 1 6 25.769 51.538 0.282 8.15 2 49.2 10.2
236 -4 -1 3 25.769 51.539 0.282 8.15 2 25.5 2.8
237 -4 1 3 25.769 51.539 0.282 8.15 2 30.6 3.9
238 -3 -1 6 25.791 51.583 0.282 8.13 2 60.0 15.1
239 3 0 6 25.796 51.593 0.282 8.13 2 67.8 19.3
240 -3 2 3 25.944 51.888 0.284 8.02 2 7.1 0.2
241 -3 -2 3 25.953 51.905 0.284 8.02 2 27.4 3.1
242 -1 1 8 25.997 51.994 0.285 7.99 2 22.4 2.1
243 -1 -1 8 26.04 52.081 0.285 7.96 2 22.0 2.0
244 -2 0 8 26.099 52.199 0.286 7.92 2 79.4 25.8
245 1 2 6 26.184 52.367 0.286 7.86 2 26.7 2.9
246 2 1 7 26.223 52.445 0.287 7.83 2 8.5 0.3
247 1 -2 6 26.264 52.528 0.287 7.8 2 28.1 3.2
248 2 -1 7 26.273 52.546 0.287 7.8 2 19.4 1.5
249 2 2 5 26.352 52.703 0.288 7.74 2 1.1 0.0
250 2 -2 5 26.429 52.857 0.289 7.69 2 4.0 0.1
251 -3 0 7 26.475 52.951 0.289 7.66 2 8.2 0.3
252 0 3 0 26.557 53.114 0.29 7.61 2 4.7 0.1
253 1 1 8 26.711 53.421 0.292 7.51 2 3.6 0.0
254 3 2 3 26.725 53.45 0.292 7.5 2 21.3 1.8
255 0 3 1 26.733 53.466 0.292 7.49 2 30.2 3.5
256 4 0 4 26.735 53.47 0.292 7.49 2 5.7 0.1
257 0 -3 1 26.751 53.501 0.292 7.48 2 17.7 1.2
258 1 -1 8 26.762 53.524 0.292 7.48 2 10.2 0.4
259 3 -2 3 26.787 53.574 0.293 7.46 2 45.4 8.0
260 -4 0 5 26.797 53.595 0.293 7.45 2 27.4 2.9
261 4 1 3 26.83 53.66 0.293 7.43 2 6.1 0.1
262 4 -1 3 26.865 53.731 0.293 7.41 2 24.1 2.2
263 -4 1 4 26.893 53.787 0.294 7.39 2 0.8 0.0
264 -4 -1 4 26.899 53.798 0.294 7.39 2 20.6 1.6
265 -3 2 4 27.104 54.208 0.296 7.26 2 19.7 1.5
266 -3 -2 4 27.124 54.248 0.296 7.25 2 27.1 2.7
267 1 3 0 27.22 54.441 0.297 7.19 2 94.1 32.9
268 -1 3 0 27.233 54.467 0.297 7.18 2 91.7 31.3
269 0 0 9 27.261 54.521 0.297 7.17 2 5.5 0.1
270 0 3 2 27.275 54.549 0.297 7.16 2 11.8 0.5
271 0 -3 2 27.309 54.619 0.298 7.14 2 12.6 0.6
272 3 1 6 27.362 54.725 0.298 7.11 2 78.5 22.7
273 -1 3 1 27.363 54.726 0.298 7.11 2 10.1 0.4
274 -1 -3 1 27.367 54.735 0.298 7.1 2 18.5 1.3
275 3 -1 6 27.41 54.82 0.299 7.08 2 64.4 15.2
276 -2 2 6 27.413 54.827 0.299 7.08 2 50.6 9.4
277 1 3 1 27.437 54.875 0.299 7.06 2 23.0 1.9
278 -2 -2 6 27.465 54.931 0.299 7.05 2 39.0 5.5
279 1 -3 1 27.468 54.935 0.299 7.05 2 15.8 0.9
280 2 0 8 27.519 55.037 0.3 7.02 2 26.7 2.6
281 -1 0 9 27.529 55.058 0.3 7.01 2 0.0 0.0
282 0 2 7 27.637 55.275 0.301 6.95 2 2.6 0.0
283 -2 1 8 27.658 55.317 0.301 6.94 2 3.3 0.0
284 -2 -1 8 27.696 55.391 0.302 6.91 2 11.7 0.5
285 0 -2 7 27.718 55.435 0.302 6.9 2 21.3 1.6
286 -1 3 2 27.853 55.706 0.303 6.83 2 5.7 0.1
287 -1 -3 2 27.874 55.749 0.303 6.81 2 14.3 0.7
288 -1 2 7 27.994 55.987 0.305 6.75 2 34.5 4.1
289 1 3 2 28.013 56.025 0.305 6.74 2 26.8 2.5
290 -3 1 7 28.025 56.05 0.305 6.73 2 45.9 7.3
291 -3 -1 7 28.052 56.103 0.305 6.72 2 22.5 1.8
292 1 -3 2 28.06 56.119 0.305 6.71 2 25.6 2.3
293 -1 -2 7 28.065 56.13 0.305 6.71 2 44.5 6.9
294 3 2 4 28.121 56.242 0.306 6.68 2 4.9 0.1
295 0 3 3 28.167 56.334 0.306 6.66 2 18.8 1.2
296 3 -2 4 28.192 56.384 0.307 6.64 2 22.5 1.7
297 0 -3 3 28.218 56.436 0.307 6.63 2 27.4 2.6
298 4 1 4 28.268 56.536 0.307 6.6 2 31.6 3.4
299 1 0 9 28.306 56.612 0.308 6.58 2 7.7 0.2
300 4 -1 4 28.308 56.616 0.308 6.58 2 4.4 0.1
301 3 0 7 28.311 56.622 0.308 6.58 2 16.2 0.9
302 -4 1 5 28.343 56.685 0.308 6.56 2 7.4 0.2
303 -4 -1 5 28.354 56.708 0.308 6.56 2 15.4 0.8
304 2 2 6 28.432 56.863 0.309 6.52 2 9.6 0.3
305 2 -2 6 28.516 57.033 0.31 6.47 2 15.8 0.8
306 4 0 5 28.534 57.068 0.31 6.46 2 22.9 1.8
307 1 2 7 28.584 57.168 0.311 6.44 2 2.2 0.0
308 -3 2 5 28.586 57.171 0.311 6.44 2 40.0 5.3
309 -4 0 6 28.607 57.215 0.311 6.43 2 120.4 48.2
310 -3 -2 5 28.616 57.233 0.311 6.42 2 1.8 0.0
311 1 -2 7 28.671 57.342 0.311 6.39 2 6.1 0.1
312 -1 3 3 28.691 57.382 0.312 6.38 2 3.0 0.0
313 -1 -3 3 28.729 57.458 0.312 6.36 2 14.5 0.7
314 0 1 9 28.77 57.539 0.312 6.34 2 6.6 0.1
315 0 -1 9 28.82 57.64 0.313 6.32 2 9.1 0.3
316 1 3 3 28.932 57.864 0.314 6.26 2 14.2 0.7
317 1 -3 3 28.995 57.99 0.315 6.23 2 31.5 3.2
318 2 1 8 29.017 58.035 0.315 6.22 2 17.6 1.0
319 -5 0 1 29.021 58.043 0.315 6.22 2 4.5 0.1
320 -1 1 9 29.031 58.062 0.315 6.22 2 27.4 2.4
321 -3 0 8 29.047 58.093 0.315 6.21 2 15.8 0.8
322 5 0 0 29.057 58.114 0.315 6.2 2 15.1 0.7
323 2 -1 8 29.07 58.14 0.315 6.2 2 27.6 2.4
324 -1 -1 9 29.077 58.153 0.315 6.19 2 10.5 0.4
325 -2 0 9 29.087 58.173 0.316 6.19 2 16.1 0.8
326 2 3 0 29.162 58.324 0.316 6.15 2 5.5 0.1
327 -2 3 0 29.187 58.374 0.317 6.14 2 19.7 1.2
328 -2 -3 1 29.26 58.521 0.317 6.11 2 11.6 0.4
329 -2 3 1 29.269 58.538 0.317 6.1 2 19.4 1.2
330 4 2 0 29.304 58.608 0.318 6.09 2 115.7 42.2
331 -4 -2 1 29.316 58.632 0.318 6.08 2 23.3 1.7
332 -5 0 2 29.335 58.669 0.318 6.07 2 31.8 3.2
333 -4 2 0 29.337 58.675 0.318 6.07 2 84.8 22.6
334 -4 2 1 29.338 58.677 0.318 6.07 2 79.6 19.9
335 0 3 4 29.39 58.779 0.319 6.05 2 34.2 3.7
336 2 3 1 29.411 58.822 0.319 6.04 2 28.7 2.6
337 5 0 1 29.44 58.88 0.319 6.02 2 29.5 2.7
338 2 -3 1 29.453 58.905 0.319 6.02 2 39.6 4.9
339 0 -3 4 29.456 58.912 0.319 6.02 2 9.2 0.3
340 -2 2 7 29.623 59.245 0.321 5.94 2 18.2 1.0
341 4 2 1 29.638 59.277 0.321 5.93 2 8.3 0.2
342 -4 -2 2 29.674 59.349 0.321 5.92 2 35.4 3.8
343 4 -2 1 29.682 59.365 0.321 5.91 2 20.1 1.2
344 -2 -2 7 29.683 59.366 0.321 5.91 2 21.8 1.5
345 -4 2 2 29.685 59.371 0.321 5.91 2 22.1 1.5
346 -2 3 2 29.697 59.394 0.322 5.91 2 56.6 9.8
347 -2 -3 2 29.705 59.41 0.322 5.9 2 65.5 13.1
348 1 1 9 29.778 59.556 0.322 5.87 2 45.2 6.2
349 3 1 7 29.784 59.569 0.322 5.87 2 0.4 0.0
350 3 2 5 29.818 59.636 0.323 5.85 2 11.8 0.4
351 1 -1 9 29.831 59.663 0.323 5.85 2 15.5 0.7
352 3 -1 7 29.835 59.67 0.323 5.85 2 46.5 6.5
353 -1 3 4 29.859 59.718 0.323 5.83 2 20.2 1.2
354 3 -2 5 29.898 59.795 0.324 5.82 2 14.3 0.6
355 -1 -3 4 29.912 59.824 0.324 5.81 2 3.5 0.0
356 -5 0 3 29.99 59.98 0.324 5.78 2 25.9 2.0
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 0 0 5.574 11.148 7.92998 324.1 37.4 37.6 5.6
2 0 0 2 5.842 11.684 7.5676 381.0 43.9 44.2 5.6
3 -1 0 2 7.828 15.656 5.65565 11.3 1.3 1.3 5.6
4 1 0 2 8.341 16.681 5.31013 191.0 22.0 22.1 5.6
5 0 1 1 9.053 18.106 4.89539 79.8 9.2 9.2 5.6
6 -1 0 3 10.12 20.241 4.3836 11.3 1.3 1.3 5.6
7 -1 1 0 10.252 20.504 4.32797 867.1 100.0 100.0 5.6
8 -1 -1 1 10.566 21.131 4.20086 15.4 1.8 1.8 5.6
9 1 1 1 10.749 21.498 4.12999 52.5 6.1 6.1 5.6
10 2 0 0 11.202 22.404 3.96499 40.3 4.7 4.6 5.6
11 1 1 2 11.987 23.975 3.70868 64.6 7.4 7.4 5.6
12 1 -1 2 12.019 24.039 3.69895 51.7 6.0 6.0 5.6
13 -2 0 2 12.331 24.662 3.60681 50.6 5.8 5.8 5.6
14 -1 0 4 12.707 25.414 3.50182 543.1 62.6 62.4 5.6
15 -1 1 3 13.309 26.618 3.34607 24.1 2.8 2.8 5.6
16 1 0 4 13.357 26.714 3.33427 270.1 31.2 31.0 5.6
17 1 1 3 13.772 27.544 3.23571 26.1 3.0 3.0 5.6
18 1 -1 3 13.81 27.62 3.22692 32.8 3.8 3.8 5.6
19 -2 1 0 14.18 28.361 3.14432 11.9 1.4 1.4 5.6
20 -2 -1 1 14.332 28.663 3.11181 9.3 1.1 1.1 5.6
21 2 1 1 14.617 29.234 3.05236 40.4 4.7 4.6 5.6
22 -2 -1 2 15.097 30.195 2.9574 222.3 25.6 25.4 5.6
23 -1 1 4 15.393 30.787 2.90185 24.1 2.8 2.8 5.6
24 -1 -1 4 15.423 30.846 2.89637 18.9 2.2 2.2 5.6
25 2 1 2 15.638 31.275 2.85762 198.5 22.9 22.7 5.6
26 2 -1 2 15.67 31.339 2.85195 162.4 18.7 18.6 5.6
27 -2 0 4 15.807 31.613 2.82783 14.8 1.7 1.7 5.6
28 1 1 4 15.936 31.872 2.8055 71.2 8.2 8.1 5.6
29 1 -1 4 15.978 31.957 2.79824 56.9 6.6 6.5 5.6
30 -2 1 3 16.373 32.746 2.73256 76.4 8.8 8.7 5.6
31 3 0 0 16.942 33.884 2.64333 42.3 4.9 4.8 5.7
32 0 1 5 17.13 34.26 2.61515 31.6 3.6 3.6 5.7
33 2 -1 3 17.174 34.348 2.6087 34.8 4.0 4.0 5.7
34 0 2 0 17.341 34.682 2.58434 252.5 29.1 28.8 5.7
35 -3 0 2 17.611 35.222 2.54593 49.1 5.7 5.6 5.7
36 0 0 6 17.78 35.56 2.52253 28.1 3.2 3.2 5.7
37 -2 1 4 18.079 36.158 2.48213 192.4 22.2 21.9 5.7
38 -1 2 0 18.275 36.551 2.45637 11.1 1.3 1.3 5.7
39 0 2 2 18.342 36.685 2.4477 21.8 2.5 2.5 5.7
40 0 -2 2 18.374 36.748 2.44363 14.0 1.6 1.6 5.7
41 2 1 4 19.014 38.029 2.36422 30.4 3.5 3.5 5.7
42 3 1 0 19.096 38.193 2.35445 39.4 4.5 4.5 5.7
43 -1 -2 2 19.139 38.277 2.34944 17.1 2.0 1.9 5.7
44 -3 1 1 19.177 38.353 2.34498 13.1 1.5 1.5 5.7
45 1 2 2 19.338 38.676 2.32616 23.8 2.7 2.7 5.7
46 1 -2 2 19.379 38.759 2.32135 18.7 2.2 2.1 5.7
47 3 1 1 19.502 39.004 2.30731 60.0 6.9 6.8 5.7
48 -3 0 4 20.169 40.338 2.23404 30.6 3.5 3.5 5.7
49 -1 -2 3 20.259 40.518 2.22454 10.2 1.2 1.2 5.7
50 -1 1 6 20.35 40.7 2.215 10.4 1.2 1.2 5.7
51 -3 -1 3 20.693 41.385 2.1799 24.2 2.8 2.7 5.7
52 -2 2 0 20.852 41.704 2.16399 65.6 7.6 7.4 5.7
53 -2 2 1 20.96 41.921 2.15329 22.1 2.5 2.5 5.7
54 2 1 5 21.191 42.382 2.13092 28.2 3.3 3.2 5.7
55 2 -1 5 21.237 42.473 2.12655 28.1 3.2 3.2 5.7
56 3 0 4 21.459 42.918 2.10553 58.3 6.7 6.6 5.7
57 -2 -2 2 21.514 43.028 2.10043 17.4 2.0 2.0 5.7
58 -3 1 4 22.057 44.114 2.0512 25.5 2.9 2.9 5.7
59 -2 1 6 22.426 44.852 2.01915 15.9 1.8 1.8 5.7
60 -2 -1 6 22.456 44.912 2.01659 12.8 1.5 1.4 5.7
61 0 -1 7 22.739 45.479 1.99275 10.5 1.2 1.2 5.7
62 4 0 0 22.864 45.727 1.98249 23.3 2.7 2.6 5.7
63 0 2 5 23.04 46.081 1.96811 11.9 1.4 1.3 5.7
64 0 -2 5 23.106 46.212 1.96284 17.3 2.0 1.9 5.7
65 -1 -2 5 23.599 47.197 1.92414 14.0 1.6 1.6 5.7
66 0 0 8 24.026 48.051 1.8919 136.8 15.8 15.4 5.7
67 4 1 0 24.582 49.164 1.85167 19.7 2.3 2.2 5.7
68 -3 2 0 24.649 49.299 1.84691 34.3 4.0 3.9 5.7
69 -3 2 1 24.698 49.395 1.84353 13.6 1.6 1.5 5.7
70 -2 1 7 24.948 49.897 1.82617 10.7 1.2 1.2 5.7
71 -4 1 2 24.999 49.998 1.82272 30.4 3.5 3.4 5.7
72 0 2 6 25.222 50.445 1.80761 28.2 3.3 3.2 5.8
73 0 -2 6 25.296 50.591 1.80271 20.0 2.3 2.2 5.8
74 3 0 6 25.796 51.593 1.77004 54.4 6.3 6.1 5.8
75 -2 0 8 26.099 52.199 1.75091 25.8 3.0 2.9 5.8
76 3 -2 3 26.787 53.574 1.70917 10.9 1.3 1.2 5.8
77 1 3 0 27.22 54.441 1.68399 64.2 7.4 7.2 5.8
78 3 1 6 27.362 54.725 1.67592 24.3 2.8 2.7 5.8
79 3 -1 6 27.41 54.82 1.67322 26.5 3.1 3.0 5.8
80 -3 1 7 28.025 56.05 1.63941 9.1 1.0 1.0 5.8
81 -1 -2 7 28.065 56.13 1.63726 9.1 1.1 1.0 5.8
82 -4 0 6 28.607 57.215 1.60876 53.5 6.2 6.0 5.8
83 4 2 0 29.304 58.608 1.57379 43.9 5.1 4.9 5.8
84 -4 2 1 29.338 58.677 1.57211 45.7 5.3 5.1 5.8
85 -2 3 2 29.697 59.394 1.55482 30.9 3.6 3.4 5.8
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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