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 ***
***********************
SAZYKINAITE_Y
1
Na(5)YZrSi(6)O(18).6H(2)O
Hexagonal R 32 Z = 3
R =0.033 NR =570
29 .3 .1993
Ref.Str.:
1. Rastsvetaeva R.K., Homyakov A.P.(1992)
* Kristallogr., 37, 6, 1561-1563
2. Khomyakov A.P., Nechelustov G.N., Rastsvetaeva R.K. (1993)
* Zapiski VMO, 5, 76-82
[Proc. Rus. Min. Soc.]
Reserv:
Na(2)[Na(2.4)K(0.6)]{[Zr(0.7)Ti(0.2)Nb(0.1)][Y(0.8)TR(0.2)]
[Si(6)O(18)]}.6H(2)O
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.825 alpha = 90.0
b = 10.825 beta = 90.0
c = 15.809 gamma = 120.0
Unit cell volume (cub. angs.) = 1604.32
Molar volume ( cub.cm/mol.) = 322.11
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4216 0.4094 0.2472 0.52 Si = 1.00
2 0.0 0.0 0.0 0.68 Zr = 0.7 , Ti = 0.2 , Nb = 0.1
3 0.3333 0.6667 0.1663 0.66 Y = 0.8 , Dy = 0.01, Gd = 0.05
4 0.0 0.0 0.1955 2.2 Na = 1.00
5 0.359 0.0 0.5 4.1 Na = 0.8 , K = 0.2
6 0.096 0.176 0.0795 1.0 O = 1.00
7 0.104 0.207 0.5732 1.2 O = 1.00
8 0.659 0.0 0.0 0.9 O = 1.00
9 0.641 0.0 0.5 1.3 O = 1.00
10 0.501 0.14 0.0593 1.7 H(2)O = 1.00
11 0.53 0.43 0.04 0.0 H = 1.00
12 0.48 0.68 0.0 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4216 0.4094 0.2472
2 2 0.0 0.0 0.0
3 3 0.3333 0.6667 0.1663
4 4 0.0 0.0 0.1955
5 5 0.359 0.0 0.5
6 6 0.096 0.176 0.0795
7 7 0.104 0.207 0.5732
8 8 0.659 0.0 0.0
9 9 0.641 0.0 0.5
10 10 0.501 0.14 0.0593
11 11 0.53 0.43 0.04
12 12 0.48 0.68 0.0
13 1 0.5906 0.0122 0.2472
14 1 0.9878 0.5784 0.2472
15 5 0.0 0.359 0.5
16 5 0.641 0.641 0.5
17 6 0.824 0.92 0.0795
18 6 0.08 0.904 0.0795
19 7 0.793 0.897 0.5732
20 7 0.103 0.896 0.5732
21 8 0.0 0.659 0.0
22 8 0.341 0.341 0.0
23 9 0.0 0.641 0.5
24 9 0.359 0.359 0.5
25 10 0.86 0.361 0.0593
26 10 0.639 0.499 0.0593
27 11 0.57 0.1 0.04
28 11 0.9 0.47 0.04
29 12 0.32 0.8 0.0
30 12 0.2 0.52 0.0
31 1 0.2573 0.3455 0.5805
32 1 0.3211 0.2451 0.9139
33 2 0.6667 0.3333 0.3333
34 2 0.3333 0.6667 0.6667
35 3 0.0 0.0 0.4996
36 3 0.6667 0.3334 0.833
37 4 0.6667 0.3333 0.5288
38 4 0.3333 0.6667 0.8622
39 5 0.6667 0.6923 0.8333
40 5 0.9743 0.3077 0.1667
41 6 0.4907 0.2533 0.4128
42 6 0.4133 0.5707 0.7462
43 7 0.4597 0.2303 0.9065
44 7 0.4363 0.5627 0.2399
45 8 0.6667 0.9923 0.3333
46 8 0.6743 0.0077 0.6667
47 9 0.6667 0.9743 0.8333
48 9 0.6923 0.0257 0.1667
49 10 0.5267 0.6943 0.3926
50 10 0.9723 0.1657 0.726
51 11 0.2367 0.4333 0.3733
52 11 0.2333 0.1367 0.7067
53 12 0.9867 0.1333 0.3333
54 12 0.5333 0.1867 0.6667
55 1 0.6545 0.9117 0.5805
56 1 0.7549 0.0761 0.9139
57 1 0.0883 0.7427 0.5805
58 1 0.9239 0.6789 0.9139
59 5 0.3077 0.9743 0.8333
60 5 0.6923 0.6667 0.1667
61 5 0.0257 0.3333 0.8333
62 5 0.3333 0.0256 0.1667
63 6 0.7467 0.2373 0.4128
64 6 0.4293 0.8427 0.7462
65 6 0.7627 0.5093 0.4128
66 6 0.1573 0.5866 0.7462
67 7 0.7697 0.2293 0.9065
68 7 0.4373 0.8737 0.2399
69 7 0.7707 0.5403 0.9065
70 7 0.1263 0.5637 0.2399
71 8 0.0077 0.6743 0.3333
72 8 0.9923 0.6667 0.6667
73 8 0.3257 0.3333 0.3333
74 8 0.3333 0.3256 0.6667
75 9 0.0257 0.6923 0.8333
76 9 0.9743 0.6667 0.1667
77 9 0.3077 0.3333 0.8333
78 9 0.3333 0.3076 0.1667
79 10 0.3057 0.8323 0.3926
80 10 0.8343 0.8067 0.726
81 10 0.1677 0.4733 0.3926
82 10 0.1933 0.0276 0.726
83 11 0.5667 0.8033 0.3733
84 11 0.8633 0.0967 0.7067
85 11 0.1967 0.7633 0.3733
86 11 0.9033 0.7666 0.7067
87 12 0.8667 0.8533 0.3333
88 12 0.8133 0.3467 0.6667
89 12 0.1467 0.0133 0.3333
90 12 0.6533 0.4666 0.6667
91 1 0.4094 0.4216 0.7528
92 4 0.0 0.0 0.8045
93 6 0.176 0.096 0.9205
94 7 0.207 0.104 0.4268
95 10 0.14 0.501 0.9407
96 11 0.43 0.53 0.96
97 12 0.68 0.48 0.0
98 1 0.0122 0.5906 0.7528
99 1 0.5784 0.9878 0.7528
100 6 0.92 0.824 0.9205
101 6 0.904 0.08 0.9205
102 7 0.897 0.793 0.4268
103 7 0.896 0.103 0.4268
104 10 0.361 0.86 0.9407
105 10 0.499 0.639 0.9407
106 11 0.1 0.57 0.96
107 11 0.47 0.9 0.96
108 12 0.8 0.32 0.0
109 12 0.52 0.2 0.0
110 1 0.3455 0.2573 0.4195
111 1 0.2451 0.3211 0.0861
112 4 0.3333 0.6667 0.4712
113 4 0.6667 0.3333 0.1378
114 6 0.2533 0.4907 0.5872
115 6 0.5707 0.4133 0.2538
116 7 0.2303 0.4597 0.0935
117 7 0.5627 0.4363 0.7601
118 10 0.6943 0.5267 0.6074
119 10 0.1657 0.9723 0.274
120 11 0.4333 0.2367 0.6267
121 11 0.1367 0.2333 0.2933
122 12 0.1333 0.9867 0.6667
123 12 0.1867 0.5333 0.3333
124 1 0.9117 0.6545 0.4195
125 1 0.0761 0.7549 0.0861
126 1 0.7427 0.0883 0.4195
127 1 0.6789 0.9239 0.0861
128 6 0.2373 0.7467 0.5872
129 6 0.8427 0.4293 0.2538
130 6 0.5093 0.7627 0.5872
131 6 0.5866 0.1573 0.2538
132 7 0.2293 0.7697 0.0935
133 7 0.8737 0.4373 0.7601
134 7 0.5403 0.7707 0.0935
135 7 0.5637 0.1263 0.7601
136 10 0.8323 0.3057 0.6074
137 10 0.8067 0.8343 0.274
138 10 0.4733 0.1677 0.6074
139 10 0.0276 0.1933 0.274
140 11 0.8033 0.5667 0.6267
141 11 0.0967 0.8633 0.2933
142 11 0.7633 0.1967 0.6267
143 11 0.7666 0.9033 0.2933
144 12 0.8533 0.8667 0.6667
145 12 0.3467 0.8133 0.3333
146 12 0.0133 0.1467 0.6667
147 12 0.4666 0.6533 0.3333
X-ray density (g/cm cub.) = 2.68
MU (1/cm) = 145.678 Mass attenuation coefficient (cm**2/g) = 54.319
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.268 4
1.5896 7
1.66 8
1.6417 9
1.5962 6
2 Zr ,Ti ,Nb 2.784 6
2.0759 6
2.0759 6
2.076 6
2.0759 6
2.0759 6
2.076 6
3 Y ,Dy ,Gd 2.964 6
2.2629 7
2.262 7
2.2622 7
2.2568 7
2.2559 7
2.2568 7
4 Na 2.976 6
2.4684 6
2.4684 6
2.4684 6
2.3204 10
2.3205 10
2.3204 10
5 Na ,K 3.396 7
3.0526 9
2.6769 7
2.7463 6
2.3368 10
2.677 7
2.7463 6
2.3368 10
6 O 3.432 8
2.8618 6
2.8618 6
2.6584 8
2.6207 9
2.9272 6
3.0916 6
2.6696 7
3.1906 10
7 O 3.432 8
3.3612 7
3.3612 7
2.6692 9
2.7251 10
2.6089 8
3.0143 7
3.0264 7
2.6696 6
8 O 3.432 8
2.9484 10
2.6584 6
2.6551 9
2.655 9
2.6092 7
2.6583 6
2.9485 10
2.6092 7
9 O 3.432 8
2.6692 7
2.6551 8
2.655 8
3.3565 10
2.621 6
2.6691 7
2.621 6
3.3566 10
10 H(2)O 3.6 10
2.9484 8
3.5186 8
3.3954 10
3.3954 10
2.7252 7
3.3565 9
3.5234 7
3.5725 9
3.2258 10
3.1905 6
11 H 1.8 1
1.078 10
12 H 1.8 2
1.0997 10
1.7124 7
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 0 1 5.482 10.963 0.062 216.2 6 36.0 65.4
2 1 0 -2 7.323 14.646 0.083 120.14 6 210.8 1245.0
3 1 1 0 8.182 16.364 0.092 95.8 6 169.0 638.0
4 0 0 3 8.405 16.81 0.095 90.66 2 86.0 52.1
5 2 0 -1 9.869 19.739 0.111 65.16 6 42.3 27.2
6 2 0 2 11.014 22.028 0.124 51.9 6 19.9 4.8
7 1 1 3 11.772 23.543 0.132 45.17 12 54.5 62.5
8 1 0 4 12.211 24.422 0.137 41.83 6 109.1 116.1
9 2 1 1 12.873 25.745 0.145 37.44 12 28.8 14.5
10 2 1 -2 13.782 27.564 0.155 32.4 12 277.5 1163.3
11 3 0 0 14.27 28.541 0.16 30.09 6 328.3 756.1
12 2 0 -4 14.769 29.539 0.165 27.96 6 420.0 1149.7
13 1 0 -5 14.898 29.797 0.167 27.44 6 21.3 2.9
14 2 2 0 16.537 33.073 0.185 21.92 6 156.9 125.7
15 3 0 -3 16.653 33.306 0.186 21.59 6 155.8 122.1
16 3 0 3 16.653 33.306 0.186 21.59 6 86.7 37.8
17 2 1 4 16.976 33.951 0.19 20.71 12 141.2 192.4
18 0 0 6 16.998 33.997 0.19 20.65 2 59.1 5.6
19 2 0 5 17.089 34.179 0.191 20.41 6 38.0 6.9
20 3 1 -1 17.472 34.943 0.195 19.45 12 83.7 63.6
21 3 1 2 18.172 36.344 0.202 17.84 12 112.5 105.3
22 2 2 3 18.661 37.322 0.208 16.83 12 98.8 76.6
23 1 1 6 18.974 37.949 0.211 16.22 12 151.8 174.3
24 2 1 -5 19.057 38.114 0.212 16.07 12 84.7 53.7
25 4 0 1 19.406 38.811 0.216 15.44 6 32.5 3.8
26 4 0 -2 20.048 40.096 0.223 14.36 6 137.3 63.1
27 1 0 7 20.538 41.076 0.228 13.61 6 24.2 1.9
28 3 1 -4 20.77 41.539 0.23 13.27 12 200.3 248.2
29 3 2 1 21.189 42.379 0.235 12.69 12 42.9 10.9
30 3 2 -2 21.788 43.576 0.241 11.92 12 149.0 123.4
31 4 1 0 22.119 44.238 0.244 11.52 12 102.0 55.9
32 2 0 -7 22.247 44.493 0.246 11.37 6 90.0 21.5
33 4 0 4 22.464 44.928 0.248 11.13 6 24.8 1.6
34 3 0 -6 22.482 44.964 0.248 11.11 6 336.3 292.9
35 3 0 6 22.482 44.964 0.248 11.11 6 324.6 272.8
36 3 1 5 22.554 45.108 0.249 11.03 12 77.4 30.8
37 1 0 -8 23.476 46.951 0.259 10.07 6 9.6 0.2
38 4 1 -3 23.823 47.645 0.262 9.74 12 91.0 37.6
39 4 1 3 23.823 47.645 0.262 9.74 12 11.8 0.6
40 2 1 7 23.857 47.714 0.263 9.71 12 66.2 19.9
41 3 2 4 24.063 48.127 0.265 9.52 12 213.9 203.0
42 2 2 6 24.08 48.161 0.265 9.51 12 137.6 83.9
43 4 0 -5 24.149 48.298 0.266 9.45 6 64.4 9.1
44 5 0 -1 24.438 48.876 0.269 9.19 6 15.5 0.5
45 5 0 2 24.975 49.951 0.274 8.75 6 69.9 10.0
46 2 0 8 25.025 50.05 0.275 8.71 6 243.7 120.6
47 3 3 0 25.274 50.548 0.277 8.52 6 350.8 244.2
48 3 2 -5 25.668 51.336 0.281 8.22 12 57.6 12.7
49 4 2 -1 25.945 51.889 0.284 8.02 12 34.8 4.5
50 0 0 9 26.009 52.019 0.285 7.98 2 63.5 2.5
51 4 2 2 26.46 52.919 0.289 7.67 12 167.6 100.5
52 2 1 -8 26.507 53.015 0.29 7.64 12 124.9 55.5
53 3 3 3 26.825 53.651 0.293 7.44 12 68.9 16.5
54 3 1 -7 26.857 53.714 0.293 7.42 12 49.8 8.6
55 5 0 -4 27.047 54.093 0.295 7.3 6 390.5 259.4
56 5 1 1 27.391 54.783 0.299 7.09 12 24.3 1.9
57 1 1 9 27.454 54.908 0.299 7.05 12 76.5 19.3
58 5 1 -2 27.888 55.776 0.304 6.81 12 109.9 38.3
59 4 0 7 28.272 56.543 0.307 6.6 6 12.2 0.2
60 4 2 -4 28.455 56.909 0.309 6.5 12 95.7 27.7
61 4 1 -6 28.47 56.94 0.309 6.5 12 151.6 69.6
62 4 1 6 28.47 56.94 0.309 6.5 12 124.0 46.6
63 5 0 5 28.531 57.062 0.31 6.46 6 37.3 2.1
64 3 1 8 29.314 58.628 0.318 6.08 12 133.4 50.4
65 6 0 0 29.538 59.075 0.32 5.98 6 188.3 49.4
66 1 0 10 29.612 59.224 0.321 5.94 6 203.3 57.3
67 3 2 7 29.641 59.283 0.321 5.93 12 23.9 1.6
68 5 1 4 29.819 59.638 0.323 5.85 12 164.3 73.7
69 4 2 5 29.893 59.786 0.324 5.82 12 64.8 11.4
70 4 3 1 30.143 60.286 0.326 5.71 12 72.6 14.0
71 3 0 -9 30.202 60.404 0.327 5.69 6 25.6 0.9
72 3 0 9 30.202 60.404 0.327 5.69 6 6.7 0.1
73 4 3 -2 30.611 61.222 0.331 5.52 12 140.9 51.1
74 4 0 -8 30.655 61.309 0.331 5.5 6 75.2 7.3
75 5 2 0 30.872 61.744 0.333 5.42 12 254.1 163.0
76 2 0 -10 30.944 61.889 0.334 5.39 6 24.1 0.7
77 6 0 -3 30.944 61.889 0.334 5.39 6 56.3 4.0
78 6 0 3 30.944 61.889 0.334 5.39 6 95.5 11.5
79 3 3 6 31.161 62.322 0.336 5.31 12 215.4 114.8
80 5 1 -5 31.218 62.437 0.336 5.28 12 46.8 5.4
81 2 2 9 31.52 63.039 0.339 5.17 12 44.2 4.7
82 3 2 -8 31.962 63.923 0.344 5.02 12 153.5 55.2
83 2 1 10 32.245 64.49 0.346 4.92 12 223.8 115.0
84 5 2 -3 32.245 64.49 0.346 4.92 12 22.2 1.1
85 5 2 3 32.245 64.49 0.346 4.92 12 43.2 4.3
86 5 0 -7 32.273 64.546 0.347 4.91 6 41.7 2.0
87 4 3 4 32.442 64.885 0.348 4.86 12 96.0 20.9
88 6 1 -1 32.751 65.503 0.351 4.76 12 49.8 5.5
89 1 0 -11 32.835 65.671 0.352 4.74 6 86.8 8.3
90 6 1 2 33.198 66.396 0.355 4.63 12 140.5 42.6
91 4 2 -7 33.545 67.09 0.359 4.52 12 43.3 4.0
92 4 3 -5 33.78 67.56 0.361 4.46 12 58.3 7.1
93 2 0 11 34.097 68.194 0.364 4.37 6 25.9 0.7
94 5 0 8 34.494 68.988 0.368 4.27 6 296.6 87.6
95 4 4 0 34.699 69.397 0.37 4.22 6 112.3 12.4
96 3 1 -10 34.767 69.533 0.37 4.2 12 140.4 38.6
97 5 1 7 34.794 69.588 0.37 4.19 12 34.0 2.3
98 6 1 -4 34.957 69.914 0.372 4.16 12 51.1 5.1
99 6 0 -6 34.971 69.941 0.372 4.15 6 244.2 57.7
100 6 0 6 34.971 69.941 0.372 4.15 6 280.0 75.9
101 5 3 -1 35.255 70.51 0.375 4.08 12 18.8 0.7
102 7 0 1 35.255 70.51 0.375 4.08 6 15.3 0.2
103 4 1 -9 35.309 70.619 0.375 4.07 12 8.0 0.1
104 4 1 9 35.309 70.619 0.375 4.07 12 51.8 5.1
105 2 1 -11 35.336 70.673 0.375 4.07 12 4.0 0.0
106 5 3 2 35.687 71.374 0.379 3.99 12 144.8 39.0
107 7 0 -2 35.687 71.374 0.379 3.99 6 130.8 15.9
108 4 2 8 35.727 71.455 0.379 3.98 12 43.8 3.6
109 0 0 12 35.781 71.562 0.38 3.97 2 381.1 44.8
110 4 0 10 35.996 71.992 0.382 3.92 6 205.9 38.8
111 4 4 3 35.996 71.992 0.382 3.92 12 45.8 3.8
112 5 2 -6 36.197 72.394 0.383 3.88 12 16.0 0.5
113 5 2 6 36.197 72.394 0.383 3.88 12 57.9 6.1
114 6 1 5 36.25 72.501 0.384 3.87 12 28.9 1.5
115 6 2 1 36.477 72.955 0.386 3.82 12 63.1 7.1
116 6 2 -2 36.903 73.806 0.39 3.74 12 170.7 50.8
117 5 1 -8 36.943 73.886 0.39 3.73 12 72.3 9.1
118 1 1 12 36.996 73.992 0.391 3.72 12 100.2 17.4
119 3 2 10 37.208 74.416 0.393 3.68 12 121.7 25.4
120 4 3 7 37.235 74.469 0.393 3.68 12 22.6 0.9
121 5 3 -4 37.393 74.787 0.394 3.65 12 150.0 38.2
122 7 0 4 37.393 74.787 0.394 3.65 6 271.5 62.7
123 3 3 9 37.736 75.473 0.397 3.59 12 3.5 0.0
124 3 1 11 37.763 75.525 0.398 3.58 12 32.9 1.8
125 7 1 0 38.341 76.681 0.403 3.49 12 68.1 7.5
126 6 2 4 38.589 77.179 0.405 3.45 12 121.6 23.8
127 5 3 5 38.655 77.31 0.405 3.44 12 9.7 0.2
128 7 0 -5 38.655 77.31 0.405 3.44 6 58.1 2.7
129 4 0 -11 38.955 77.91 0.408 3.4 6 44.4 1.6
130 4 3 -8 39.333 78.666 0.411 3.34 12 30.9 1.5
131 3 0 -12 39.385 78.77 0.412 3.34 6 154.9 18.7
132 3 0 12 39.385 78.77 0.412 3.34 6 195.4 29.7
133 5 0 -10 39.593 79.185 0.414 3.31 6 31.5 0.8
134 7 1 -3 39.593 79.185 0.414 3.31 12 88.1 12.0
135 7 1 3 39.593 79.185 0.414 3.31 12 46.7 3.4
136 6 1 -7 39.619 79.237 0.414 3.3 12 16.4 0.4
137 1 0 13 39.697 79.393 0.415 3.29 6 34.3 0.9
138 4 4 6 39.787 79.575 0.415 3.28 12 140.8 30.3
139 6 2 -5 39.839 79.678 0.416 3.28 12 52.0 4.1
140 5 4 1 40.059 80.119 0.418 3.25 12 55.3 4.6
141 3 2 -11 40.137 80.274 0.418 3.24 12 29.5 1.3
142 5 4 -2 40.473 80.946 0.421 3.2 12 105.4 16.6
143 2 2 12 40.563 81.127 0.422 3.19 12 72.1 7.7
144 6 3 0 40.705 81.411 0.423 3.17 12 130.2 25.1
145 4 2 -10 40.77 81.54 0.424 3.16 12 173.1 44.2
146 2 0 -13 40.873 81.746 0.425 3.15 6 4.4 0.0
147 8 0 -1 41.233 82.467 0.428 3.11 6 58.9 2.5
148 6 0 -9 41.285 82.57 0.428 3.11 6 95.3 6.6
149 6 0 9 41.285 82.57 0.428 3.11 6 7.3 0.0
150 8 0 2 41.645 83.289 0.431 3.07 6 181.4 23.6
151 6 1 8 41.683 83.366 0.432 3.07 12 67.3 6.5
152 5 1 10 41.94 83.88 0.434 3.04 12 145.7 30.1
153 6 3 -3 41.94 83.88 0.434 3.04 12 10.8 0.2
154 6 3 3 41.94 83.88 0.434 3.04 12 32.2 1.5
155 5 3 -7 41.965 83.931 0.434 3.04 12 73.8 7.7
156 7 0 7 41.965 83.931 0.434 3.04 6 15.9 0.2
157 2 1 13 42.042 84.085 0.435 3.03 12 24.3 0.8
158 5 4 4 42.119 84.239 0.435 3.03 12 89.6 11.3
159 7 2 -1 42.401 84.802 0.438 3.0 12 18.5 0.5
160 5 2 -9 42.452 84.905 0.438 3.0 12 28.1 1.1
161 5 2 9 42.452 84.905 0.438 3.0 12 45.5 2.9
162 5 0 11 42.478 84.956 0.438 3.0 6 12.3 0.1
163 7 2 2 42.811 85.621 0.441 2.97 12 19.6 0.5
164 6 2 7 43.13 86.26 0.444 2.94 12 79.8 8.7
165 8 0 -4 43.284 86.567 0.445 2.93 6 113.3 8.8
166 7 1 -6 43.296 86.593 0.445 2.93 12 133.9 24.5
167 7 1 6 43.296 86.593 0.445 2.93 12 157.5 33.9
168 5 4 -5 43.347 86.695 0.446 2.93 12 33.8 1.6
169 1 0 -14 43.399 86.797 0.446 2.92 6 177.9 21.6
170 4 2 11 43.641 87.282 0.448 2.91 12 33.7 1.5
171 5 3 8 44.011 88.023 0.451 2.88 12 125.4 21.1
172 7 0 -8 44.011 88.023 0.451 2.88 6 230.1 35.6
173 4 1 -12 44.062 88.125 0.451 2.88 12 30.0 1.2
174 4 1 12 44.062 88.125 0.451 2.88 12 43.2 2.5
175 4 3 10 44.266 88.533 0.453 2.87 12 92.0 11.3
176 3 1 -13 44.368 88.737 0.454 2.86 12 49.5 3.3
177 7 2 -4 44.445 88.89 0.455 2.86 12 140.5 26.3
178 8 0 5 44.509 89.018 0.455 2.85 6 41.1 1.1
179 2 0 14 44.56 89.12 0.455 2.85 6 26.4 0.5
180 8 1 1 44.726 89.451 0.457 2.84 12 37.0 1.8
181 5 1 -11 44.802 89.604 0.457 2.84 12 5.5 0.0
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 1 5.482 10.963 8.06356 65.4 5.3 5.3 5.6
2 1 0 2 7.323 14.646 6.04306 1245.0 100.0 100.0 5.6
3 1 1 0 8.182 16.364 5.4125 638.0 51.2 51.2 5.6
4 0 0 3 8.405 16.81 5.26967 52.1 4.2 4.2 5.6
5 2 0 1 9.869 19.739 4.49399 27.2 2.2 2.2 5.6
6 1 1 3 11.772 23.543 3.7757 62.5 5.0 5.0 5.6
7 1 0 4 12.211 24.422 3.64184 116.1 9.3 9.3 5.6
8 2 1 1 12.873 25.745 3.45753 14.5 1.2 1.2 5.6
9 2 1 2 13.782 27.564 3.23332 1163.3 93.4 92.6 5.6
10 3 0 0 14.27 28.541 3.12491 756.1 60.7 60.1 5.6
11 2 0 4 14.769 29.539 3.02153 1149.7 92.3 91.4 5.6
12 2 2 0 16.537 33.073 2.70625 125.7 10.1 10.0 5.6
13 3 0 3 16.653 33.306 2.68785 160.0 12.8 12.7 5.6
14 2 1 4 16.976 33.951 2.63827 198.1 15.9 15.7 5.7
15 3 1 1 17.472 34.943 2.56561 63.6 5.1 5.0 5.7
16 3 1 2 18.172 36.344 2.46989 105.3 8.5 8.3 5.7
17 2 2 3 18.661 37.322 2.40735 76.6 6.2 6.0 5.7
18 1 1 6 18.974 37.949 2.36904 174.3 14.0 13.8 5.7
19 2 1 5 19.057 38.114 2.35912 53.7 4.3 4.2 5.7
20 4 0 2 20.048 40.096 2.24699 63.1 5.1 5.0 5.7
21 3 1 4 20.77 41.539 2.17217 248.2 19.9 19.5 5.7
22 3 2 2 21.788 43.576 2.07526 123.4 9.9 9.7 5.7
23 4 1 0 22.119 44.238 2.04573 55.9 4.5 4.4 5.7
24 2 0 7 22.247 44.493 2.03458 21.5 1.7 1.7 5.7
25 3 0 6 22.482 44.964 2.01435 567.3 45.6 44.4 5.7
26 3 1 5 22.554 45.108 2.00825 30.8 2.5 2.4 5.7
27 4 1 3 23.823 47.645 1.90707 38.2 3.1 3.0 5.7
28 2 1 7 23.857 47.714 1.90447 19.9 1.6 1.6 5.7
29 3 2 4 24.063 48.127 1.88911 287.0 23.0 22.4 5.7
30 2 0 8 25.025 50.05 1.82092 120.6 9.7 9.4 5.7
31 3 3 0 25.274 50.548 1.80417 244.2 19.6 19.0 5.8
32 3 2 5 25.668 51.336 1.7783 12.7 1.0 1.0 5.8
33 4 2 2 26.46 52.919 1.72877 100.5 8.1 7.8 5.8
34 2 1 8 26.507 53.015 1.72587 55.5 4.5 4.3 5.8
35 3 3 3 26.825 53.651 1.7069 16.5 1.3 1.3 5.8
36 5 0 4 27.047 54.093 1.69399 259.4 20.8 20.1 5.8
37 1 1 9 27.454 54.908 1.67077 19.3 1.5 1.5 5.8
38 5 1 2 27.888 55.776 1.6468 38.3 3.1 3.0 5.8
39 4 1 6 28.47 56.94 1.61587 144.0 11.6 11.1 5.8
40 3 1 8 29.314 58.628 1.5733 50.4 4.0 3.9 5.8
41 6 0 0 29.538 59.075 1.56245 49.4 4.0 3.8 5.8
42 1 0 10 29.612 59.224 1.55889 57.3 4.6 4.4 5.8
43 5 1 4 29.819 59.638 1.54904 73.7 5.9 5.7 5.8
44 4 3 1 30.143 60.286 1.53392 14.0 1.1 1.1 5.8
45 4 3 2 30.611 61.222 1.51271 51.1 4.1 3.9 5.8
46 5 2 0 30.872 61.744 1.50116 163.0 13.1 12.5 5.8
47 6 0 3 30.944 61.889 1.498 15.4 1.2 1.2 5.8
48 3 3 6 31.161 62.322 1.48863 114.8 9.2 8.8 5.8
49 3 2 8 31.962 63.923 1.45514 55.2 4.4 4.2 5.9
50 2 1 10 32.245 64.49 1.44372 122.4 9.8 9.3 5.9
51 4 3 4 32.442 64.885 1.43588 20.9 1.7 1.6 5.9
52 6 1 2 33.198 66.396 1.40681 42.6 3.4 3.2 5.9
53 5 0 8 34.494 68.988 1.36015 87.6 7.0 6.6 5.9
54 3 1 10 34.767 69.533 1.35081 40.9 3.3 3.1 5.9
55 6 0 6 34.971 69.941 1.34393 138.6 11.1 10.5 5.9
56 5 3 2 35.687 71.374 1.32043 54.9 4.4 4.1 5.9
57 0 0 12 35.781 71.562 1.31742 44.8 3.6 3.4 5.9
58 4 0 10 35.996 71.992 1.31061 42.6 3.4 3.2 5.9
59 6 2 2 36.903 73.806 1.28281 50.8 4.1 3.8 6.0
60 1 1 12 36.996 73.992 1.28004 17.4 1.4 1.3 6.0
61 3 2 10 37.208 74.416 1.2738 26.3 2.1 2.0 6.0
62 7 0 4 37.393 74.787 1.2684 100.9 8.1 7.6 6.0
63 6 2 4 38.589 77.179 1.23495 23.8 1.9 1.8 6.0
64 3 0 12 39.385 78.77 1.21395 48.3 3.9 3.6 6.0
65 7 1 3 39.593 79.185 1.20861 15.7 1.3 1.2 6.0
66 4 4 6 39.787 79.575 1.20368 30.3 2.4 2.2 6.0
67 5 4 2 40.473 80.946 1.18671 16.6 1.3 1.2 6.1
68 6 3 0 40.705 81.411 1.1811 25.1 2.0 1.9 6.1
69 4 2 10 40.77 81.54 1.17956 44.2 3.5 3.3 6.1
70 8 0 2 41.645 83.289 1.15917 23.6 1.9 1.7 6.1
71 5 1 10 41.94 83.88 1.15251 39.7 3.2 2.9 6.1
72 7 1 6 43.296 86.593 1.12323 67.2 5.4 4.9 6.1
73 1 0 14 43.399 86.797 1.12111 21.6 1.7 1.6 6.1
74 7 0 8 44.011 88.023 1.10864 56.7 4.6 4.1 6.2
75 7 2 4 44.445 88.89 1.10005 26.3 2.1 1.9 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)
|