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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EDINGTONITE
3, at 396'K, f-zeolites, sf-scolecite-natrolite, DN, ZL
Ba(1.8)Ca(0.2)Al(4)Si(6)O(20).4.9H(2)O
Orthorhombic P 2(1)2(1)2 Z = 1
R =0.0272 NR =600
26 .10 .1998
Ref.Str.:
Stakl K., Hanson J.C. (1998)
* Eur. J. Mineral., 10, 221-228
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.4903 alpha = 90.0
b = 9.569 beta = 90.0
c = 6.529 gamma = 90.0
Unit cell volume (cub. angs.) = 592.92
Molar volume ( cub.cm/mol.) = 357.14
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0054 1.7 Si = 1.00
2 0.8245 0.0955 0.3845 1.7 Si = 1.00
3 0.0872 0.1671 0.6282 1.7 Al = 1.00
4 0.1734 0.3208 0.6214 1.0 O = 1.00
5 0.9405 0.2042 0.4724 1.0 O = 1.00
6 0.1834 0.0346 0.5352 1.0 O = 1.00
7 0.0358 0.1352 0.8766 1.0 O = 1.00
8 0.8653 0.0325 0.1657 1.0 O = 1.00
9 0.5 0.0 0.6284 2.7 Ba = 0.92, Ca = 0.08
10 0.1336 0.3338 0.1281 3.7 H(2)O = 0.49, H(2)O = 0.0
11 0.3886 0.1292 0.9787 3.7 H(2)O = 0.74, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0054
2 2 0.8245 0.0955 0.3845
3 3 0.0872 0.1671 0.6282
4 4 0.1734 0.3208 0.6214
5 5 0.9405 0.2042 0.4724
6 6 0.1834 0.0346 0.5352
7 7 0.0358 0.1352 0.8766
8 8 0.8653 0.0325 0.1657
9 9 0.5 0.0 0.6284
10 10 0.1336 0.3338 0.1281
11 11 0.3886 0.1292 0.9787
12 2 0.1755 0.9045 0.3845
13 3 0.9128 0.8329 0.6282
14 4 0.8266 0.6792 0.6214
15 5 0.0595 0.7958 0.4724
16 6 0.8166 0.9654 0.5352
17 7 0.9642 0.8648 0.8766
18 8 0.1347 0.9675 0.1657
19 10 0.8664 0.6662 0.1281
20 11 0.6114 0.8708 0.9787
21 1 0.5 0.5 0.9946
22 2 0.6755 0.5955 0.6155
23 3 0.4128 0.6671 0.3718
24 4 0.3266 0.8208 0.3786
25 5 0.5595 0.7042 0.5276
26 6 0.3166 0.5346 0.4648
27 7 0.4642 0.6352 0.1234
28 8 0.6347 0.5325 0.8343
29 9 0.0 0.5 0.3716
30 10 0.3664 0.8338 0.8719
31 11 0.1114 0.6292 0.0213
32 2 0.3245 0.4045 0.6155
33 3 0.5872 0.3329 0.3718
34 4 0.6734 0.1792 0.3786
35 5 0.4405 0.2958 0.5276
36 6 0.6834 0.4654 0.4648
37 7 0.5358 0.3648 0.1234
38 8 0.3653 0.4675 0.8343
39 10 0.6336 0.1662 0.8719
40 11 0.8886 0.3708 0.0213
X-ray density (g/cm cub.) = 2.64
MU (1/cm) = 292.817 Mass attenuation coefficient (cm**2/g) = 110.772
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.268 4
1.58 7
1.6811 8
1.58 7
1.6811 8
2 Si 2.268 4
1.6196 5
1.5982 8
1.5886 6
1.6429 4
3 Al 2.484 4
1.6835 4
1.7604 5
1.6762 6
1.7209 7
4 O 3.432 8
2.6602 5
2.7975 6
2.7633 7
3.3321 10
3.2452 10
2.6604 6
2.6187 5
2.6869 8
5 O 3.432 8
2.6602 4
2.8488 6
2.8668 7
2.6867 8
3.1543 10
2.6024 6
2.6187 4
3.385 11
6 O 3.432 7
2.7975 4
2.8488 5
2.8031 7
2.6024 5
2.5389 8
2.6604 4
3.3972 10
7 O 3.432 9
2.7633 4
2.8668 5
2.8031 6
2.6733 8
2.6776 10
3.4144 11
2.6752 7
2.6493 8
2.8154 11
8 O 3.432 9
2.6867 5
2.6733 7
2.5389 6
2.6493 7
2.6313 8
3.113 11
2.6869 4
3.1861 10
3.3789 11
9 Ba ,Ca 3.456 10
3.0835 6
2.8066 11
3.0835 6
2.8066 11
2.8824 4
2.9604 5
2.5815 10
2.8824 4
2.9604 5
2.5815 10
10 H(2)O,H(2)O 3.6 10
3.2452 4
3.3321 4
3.1543 5
2.6776 7
3.2621 11
3.5137 8
3.3972 6
2.919 11
3.1861 8
2.4531 11
11 H(2)O,H(2)O 3.6 9
3.4144 7
3.2621 10
3.113 8
3.2534 11
2.919 10
3.385 5
2.8154 7
3.3789 8
2.4531 10
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 0 6.564 13.128 0.074 150.09 4 5.9 5.9
2 0 0 1 6.775 13.551 0.077 140.73 2 124.6 1243.9
3 0 1 1 8.211 16.423 0.093 95.1 4 47.7 246.6
4 1 0 1 8.233 16.466 0.093 94.59 4 53.2 305.1
5 0 2 0 9.265 18.529 0.105 74.23 2 109.0 502.2
6 2 0 0 9.342 18.684 0.105 72.97 2 116.7 565.6
7 1 1 1 9.455 18.91 0.107 71.19 8 74.9 910.0
8 1 2 0 10.387 20.774 0.117 58.62 4 31.2 64.8
9 2 1 0 10.439 20.878 0.118 58.01 4 19.5 25.2
10 0 2 1 11.513 23.027 0.13 47.31 4 19.8 21.1
11 2 0 1 11.576 23.153 0.13 46.78 4 3.7 0.7
12 1 2 1 12.443 24.886 0.14 40.21 8 96.7 855.2
13 2 1 1 12.487 24.974 0.14 39.91 8 95.1 821.3
14 2 2 0 13.216 26.433 0.148 35.41 4 59.0 140.0
15 0 0 2 13.648 27.296 0.153 33.08 2 73.3 101.0
16 0 1 2 14.437 28.873 0.162 29.35 4 61.0 124.4
17 1 0 2 14.449 28.899 0.162 29.3 4 56.1 104.7
18 1 3 0 14.76 29.52 0.165 28.0 4 84.3 226.4
19 3 1 0 14.86 29.72 0.166 27.6 4 100.1 314.8
20 2 2 1 14.908 29.817 0.167 27.4 8 54.0 182.0
21 1 1 2 15.2 30.4 0.17 26.29 8 63.4 240.5
22 0 3 1 15.591 31.182 0.174 24.89 4 18.5 9.7
23 3 0 1 15.698 31.396 0.176 24.53 4 19.2 10.2
24 1 3 1 16.305 32.611 0.182 22.6 8 110.3 625.6
25 3 1 1 16.397 32.794 0.183 22.32 8 119.0 719.8
26 0 2 2 16.598 33.195 0.185 21.74 4 7.5 1.4
27 2 0 2 16.643 33.285 0.186 21.62 4 18.2 8.2
28 2 3 0 16.917 33.833 0.189 20.86 4 31.4 23.4
29 3 2 0 16.972 33.944 0.189 20.71 4 41.9 41.4
30 1 2 2 17.275 34.55 0.193 19.93 8 81.9 304.1
31 2 1 2 17.308 34.615 0.193 19.85 8 87.4 345.4
32 2 3 1 18.3 36.599 0.204 17.57 8 20.5 16.8
33 3 2 1 18.352 36.703 0.204 17.46 8 27.4 29.9
34 0 4 0 18.783 37.567 0.209 16.59 2 39.9 15.0
35 4 0 0 18.945 37.89 0.211 16.28 2 22.0 4.5
36 2 2 2 19.181 38.362 0.213 15.84 8 25.8 24.1
37 1 4 0 19.394 38.788 0.216 15.46 4 5.3 0.5
38 4 1 0 19.542 39.083 0.217 15.2 4 9.7 1.6
39 0 3 2 19.733 39.465 0.219 14.87 4 120.6 246.3
40 3 0 2 19.82 39.64 0.22 14.73 4 107.3 193.0
41 0 4 1 20.055 40.11 0.223 14.35 4 40.5 26.8
42 3 3 0 20.056 40.112 0.223 14.35 4 121.6 241.4
43 4 0 1 20.208 40.416 0.224 14.11 4 22.5 8.1
44 1 3 2 20.319 40.638 0.225 13.94 8 23.3 17.3
45 3 1 2 20.395 40.79 0.226 13.82 8 24.4 18.8
46 1 4 1 20.634 41.268 0.229 13.47 8 71.7 157.5
47 0 0 3 20.728 41.456 0.23 13.33 2 65.1 32.1
48 4 1 1 20.774 41.549 0.23 13.26 8 67.2 136.1
49 2 4 0 21.137 42.273 0.234 12.76 4 71.6 74.4
50 4 2 0 21.247 42.494 0.235 12.61 4 76.9 85.0
51 3 3 1 21.264 42.528 0.235 12.59 8 65.4 122.5
52 0 1 3 21.283 42.566 0.236 12.56 4 47.7 32.5
53 1 0 3 21.292 42.584 0.236 12.55 4 31.5 14.2
54 1 1 3 21.835 43.67 0.241 11.86 8 67.0 121.1
55 2 3 2 22.001 44.002 0.243 11.66 8 49.5 65.1
56 3 2 2 22.046 44.091 0.244 11.61 8 51.5 70.1
57 2 4 1 22.297 44.594 0.246 11.32 8 48.7 61.0
58 4 2 1 22.402 44.804 0.247 11.2 8 40.4 41.6
59 0 2 3 22.882 45.764 0.252 10.67 4 39.1 18.6
60 2 0 3 22.916 45.833 0.253 10.64 4 48.4 28.4
61 1 2 3 23.404 46.808 0.258 10.14 8 49.4 56.2
62 2 1 3 23.429 46.859 0.258 10.12 8 61.2 86.2
63 0 4 2 23.528 47.055 0.259 10.02 4 11.5 1.5
64 4 0 2 23.662 47.325 0.261 9.89 4 11.2 1.4
65 3 4 0 23.809 47.618 0.262 9.75 4 22.2 5.5
66 4 3 0 23.868 47.735 0.263 9.7 4 41.7 19.2
67 1 4 2 24.039 48.078 0.264 9.54 8 49.8 53.9
68 4 1 2 24.163 48.327 0.266 9.43 8 51.5 56.9
69 1 5 0 24.242 48.484 0.267 9.36 4 32.7 11.4
70 5 1 0 24.439 48.879 0.269 9.19 4 26.7 7.5
71 3 3 2 24.6 49.199 0.27 9.06 8 21.9 9.9
72 0 5 1 24.798 49.596 0.272 8.89 4 52.7 28.1
73 3 4 1 24.871 49.742 0.273 8.83 8 62.0 77.4
74 2 2 3 24.92 49.84 0.274 8.79 8 84.3 142.2
75 4 3 1 24.928 49.856 0.274 8.79 8 64.3 82.8
76 5 0 1 25.0 50.001 0.274 8.73 4 51.1 25.9
77 1 5 1 25.29 50.58 0.277 8.5 8 45.0 39.3
78 0 3 3 25.371 50.741 0.278 8.44 4 32.7 10.3
79 3 0 3 25.442 50.885 0.279 8.39 4 27.5 7.2
80 5 1 1 25.482 50.964 0.279 8.36 8 50.1 47.7
81 2 4 2 25.527 51.054 0.28 8.33 8 12.4 2.9
82 4 2 2 25.622 51.244 0.281 8.25 8 17.6 5.8
83 2 5 0 25.721 51.442 0.282 8.18 4 42.5 16.8
84 1 3 3 25.855 51.71 0.283 8.09 8 44.5 36.4
85 5 2 0 25.887 51.773 0.283 8.06 4 48.5 21.6
86 3 1 3 25.918 51.836 0.284 8.04 8 32.2 19.0
87 2 5 1 26.727 53.454 0.292 7.5 8 32.4 18.0
88 5 2 1 26.888 53.777 0.294 7.4 8 35.7 21.5
89 4 4 0 27.21 54.42 0.297 7.2 4 77.6 49.3
90 2 3 3 27.27 54.541 0.297 7.16 8 26.9 11.8
91 3 2 3 27.308 54.617 0.298 7.14 8 46.6 35.3
92 0 5 2 27.811 55.622 0.303 6.85 4 96.7 72.8
93 3 4 2 27.878 55.756 0.304 6.81 8 69.0 73.9
94 4 3 2 27.93 55.861 0.304 6.78 8 54.7 46.2
95 5 0 2 27.998 55.995 0.305 6.75 4 99.8 76.4
96 3 5 0 28.061 56.122 0.305 6.71 4 13.5 1.4
97 0 0 4 28.159 56.317 0.306 6.66 2 109.9 45.7
98 4 4 1 28.179 56.358 0.307 6.65 8 56.2 47.8
99 5 3 0 28.18 56.36 0.307 6.65 4 16.1 2.0
100 1 5 2 28.266 56.531 0.307 6.6 8 36.2 19.7
101 5 1 2 28.443 56.886 0.309 6.51 8 41.9 26.0
102 0 4 3 28.586 57.173 0.311 6.44 4 12.2 1.1
103 0 1 4 28.602 57.205 0.311 6.43 4 16.7 2.0
104 1 0 4 28.61 57.22 0.311 6.42 4 7.7 0.4
105 4 0 3 28.704 57.408 0.312 6.38 4 39.3 11.2
106 0 6 0 28.881 57.761 0.314 6.29 2 104.6 39.1
107 3 5 1 29.011 58.022 0.315 6.23 8 21.4 6.5
108 1 4 3 29.033 58.067 0.315 6.21 8 47.1 31.4
109 1 1 4 29.049 58.098 0.315 6.21 8 39.5 22.0
110 5 3 1 29.128 58.255 0.316 6.17 8 15.3 3.3
111 4 1 3 29.143 58.285 0.316 6.16 8 41.3 23.9
112 6 0 0 29.143 58.286 0.316 6.16 2 89.3 27.9
113 1 6 0 29.325 58.649 0.318 6.08 4 5.0 0.2
114 3 3 3 29.527 59.053 0.32 5.98 8 3.9 0.2
115 6 1 0 29.577 59.155 0.32 5.96 4 0.4 0.0
116 2 5 2 29.603 59.206 0.321 5.95 8 52.8 37.8
117 5 2 2 29.754 59.508 0.322 5.88 8 52.5 36.9
118 0 6 1 29.814 59.628 0.323 5.85 4 25.3 4.3
119 0 2 4 29.909 59.817 0.324 5.81 4 29.2 5.6
120 2 0 4 29.937 59.875 0.324 5.8 4 33.8 7.5
121 6 0 1 30.071 60.143 0.325 5.74 4 33.3 7.2
122 1 6 1 30.25 60.499 0.327 5.67 8 25.6 8.5
123 1 2 4 30.343 60.687 0.328 5.63 8 29.0 10.8
124 2 4 3 30.349 60.699 0.328 5.63 8 64.4 53.0
125 2 1 4 30.365 60.729 0.328 5.62 8 36.1 16.6
126 4 2 3 30.434 60.869 0.329 5.59 8 70.9 64.0
127 6 1 1 30.498 60.995 0.329 5.57 8 24.2 7.4
128 2 6 0 30.633 61.266 0.331 5.51 4 86.0 46.4
129 6 2 0 30.858 61.716 0.333 5.42 4 97.5 58.7
130 4 4 2 30.967 61.934 0.334 5.38 8 56.6 39.3
131 4 5 0 31.138 62.277 0.336 5.31 4 23.7 3.4
132 5 4 0 31.201 62.402 0.336 5.29 4 3.1 0.1
133 2 6 1 31.535 63.069 0.339 5.17 8 30.9 11.2
134 2 2 4 31.626 63.253 0.34 5.14 8 41.6 20.2
135 3 5 2 31.754 63.508 0.342 5.09 8 28.8 9.6
136 6 2 1 31.756 63.512 0.342 5.09 8 44.9 23.3
137 5 3 2 31.864 63.729 0.343 5.05 8 30.3 10.6
138 0 3 4 32.013 64.026 0.344 5.0 4 10.1 0.6
139 4 5 1 32.032 64.064 0.344 5.0 8 31.5 11.2
140 3 0 4 32.075 64.15 0.345 4.98 4 5.1 0.2
141 5 4 1 32.094 64.188 0.345 4.97 8 19.4 4.3
142 0 5 3 32.41 64.82 0.348 4.87 4 45.1 11.3
143 1 3 4 32.432 64.863 0.348 4.86 8 81.7 74.0
144 3 4 3 32.471 64.943 0.348 4.85 8 63.4 44.4
145 3 1 4 32.486 64.972 0.349 4.85 8 69.1 52.6
146 0 6 2 32.516 65.033 0.349 4.84 4 11.3 0.7
147 4 3 3 32.519 65.038 0.349 4.83 8 35.6 13.9
148 5 0 3 32.58 65.161 0.35 4.81 4 40.0 8.8
149 3 6 0 32.744 65.489 0.351 4.76 4 35.1 6.7
150 6 0 2 32.761 65.523 0.351 4.76 4 11.7 0.7
151 1 5 3 32.826 65.651 0.352 4.74 8 32.9 11.7
152 6 3 0 32.928 65.855 0.353 4.71 4 19.0 1.9
153 1 6 2 32.931 65.863 0.353 4.71 8 11.2 1.3
154 5 1 3 32.988 65.976 0.353 4.69 8 25.7 7.0
155 6 1 2 33.168 66.336 0.355 4.63 8 17.9 3.4
156 3 6 1 33.615 67.23 0.359 4.5 8 49.9 25.6
157 2 3 4 33.67 67.34 0.36 4.49 8 26.5 7.2
158 3 2 4 33.704 67.407 0.36 4.48 8 32.1 10.5
159 6 3 1 33.796 67.592 0.361 4.45 8 56.9 32.8
160 2 5 3 34.057 68.114 0.364 4.38 8 14.4 2.1
161 2 6 2 34.161 68.321 0.364 4.36 8 17.2 2.9
162 5 2 3 34.197 68.393 0.365 4.35 8 31.8 10.0
163 6 2 2 34.373 68.747 0.366 4.3 8 22.6 5.0
164 4 5 2 34.639 69.277 0.369 4.23 8 34.2 11.2
165 5 4 2 34.698 69.396 0.37 4.22 8 14.7 2.1
166 1 7 0 34.701 69.403 0.37 4.22 4 30.7 4.5
167 0 4 4 34.841 69.681 0.371 4.18 4 11.8 0.7
168 5 5 0 34.86 69.719 0.371 4.18 4 72.6 25.0
169 4 0 4 34.946 69.892 0.372 4.16 4 9.7 0.4
170 7 1 0 35.018 70.035 0.372 4.14 4 36.1 6.1
171 0 7 1 35.149 70.297 0.374 4.11 4 57.5 15.5
172 1 4 4 35.242 70.484 0.375 4.09 8 23.9 5.3
173 4 4 3 35.326 70.652 0.375 4.07 8 81.6 61.7
174 4 1 4 35.34 70.681 0.375 4.06 8 37.9 13.3
175 7 0 1 35.47 70.94 0.377 4.04 4 55.4 14.1
176 1 7 1 35.549 71.097 0.377 4.02 8 52.8 25.5
177 4 6 0 35.589 71.177 0.378 4.01 4 39.2 7.0
178 3 3 4 35.687 71.375 0.379 3.99 8 63.1 36.1
179 5 5 1 35.705 71.411 0.379 3.98 8 62.8 35.8
180 6 4 0 35.719 71.438 0.379 3.98 4 52.5 12.5
181 7 1 1 35.862 71.724 0.38 3.95 8 56.3 28.5
182 2 7 0 35.902 71.804 0.381 3.94 4 42.2 8.0
183 3 5 3 36.064 72.128 0.382 3.91 8 18.7 3.1
184 0 0 5 36.149 72.299 0.383 3.89 2 69.1 10.6
185 3 6 2 36.165 72.331 0.383 3.88 8 85.5 64.6
186 5 3 3 36.168 72.336 0.383 3.88 8 14.9 2.0
187 7 2 0 36.194 72.388 0.383 3.88 4 32.7 4.7
188 6 3 2 36.34 72.681 0.385 3.85 8 87.4 66.9
189 4 6 1 36.427 72.854 0.385 3.83 8 13.8 1.7
190 2 4 4 36.435 72.87 0.386 3.83 8 30.5 8.1
191 4 2 4 36.513 73.025 0.386 3.81 8 33.7 9.9
192 0 1 5 36.538 73.076 0.386 3.81 4 18.4 1.5
193 1 0 5 36.545 73.089 0.387 3.81 4 12.5 0.7
194 6 4 1 36.556 73.113 0.387 3.81 8 11.7 1.2
195 2 7 1 36.737 73.475 0.388 3.77 8 51.7 23.0
196 0 6 3 36.783 73.566 0.389 3.76 4 41.7 7.4
197 1 1 5 36.932 73.864 0.39 3.73 8 16.3 2.3
198 6 0 3 37.015 74.03 0.391 3.72 4 36.1 5.5
199 7 2 1 37.027 74.054 0.391 3.71 8 47.8 19.3
200 1 6 3 37.176 74.351 0.392 3.69 8 5.9 0.3
201 6 1 3 37.4 74.8 0.394 3.65 8 7.4 0.5
202 0 7 2 37.654 75.308 0.397 3.6 4 55.0 12.4
203 0 2 5 37.696 75.391 0.397 3.6 4 39.9 6.5
204 2 0 5 37.721 75.442 0.397 3.59 4 17.6 1.3
205 3 7 0 37.868 75.736 0.398 3.57 4 13.4 0.7
206 7 0 2 37.967 75.933 0.399 3.55 4 42.4 7.2
207 1 7 2 38.043 76.087 0.4 3.54 8 2.7 0.1
208 1 2 5 38.085 76.17 0.4 3.53 8 57.5 26.6
209 2 1 5 38.104 76.208 0.401 3.53 8 56.1 25.2
210 7 3 0 38.123 76.245 0.401 3.52 4 6.2 0.2
211 5 5 2 38.196 76.392 0.401 3.51 8 15.4 1.9
212 0 5 4 38.334 76.667 0.403 3.49 4 3.8 0.1
213 2 6 3 38.345 76.691 0.403 3.49 8 50.5 20.2
214 7 1 2 38.349 76.698 0.403 3.49 8 6.6 0.3
215 3 4 4 38.391 76.782 0.403 3.48 8 23.9 4.5
216 4 3 4 38.435 76.871 0.404 3.47 8 27.5 6.0
217 5 0 4 38.492 76.985 0.404 3.47 4 13.7 0.7
218 6 2 3 38.548 77.097 0.405 3.46 8 38.0 11.4
219 3 7 1 38.688 77.376 0.406 3.44 8 46.1 16.6
220 1 5 4 38.721 77.442 0.406 3.43 8 70.1 38.3
221 4 5 3 38.802 77.604 0.407 3.42 8 16.0 2.0
222 5 4 3 38.859 77.718 0.407 3.41 8 17.8 2.4
223 5 1 4 38.873 77.746 0.407 3.41 8 55.7 24.0
224 4 6 2 38.901 77.802 0.408 3.4 8 24.9 4.8
225 7 3 1 38.941 77.882 0.408 3.4 8 31.6 7.7
226 6 4 2 39.027 78.055 0.409 3.39 8 18.7 2.7
227 5 6 0 39.113 78.225 0.409 3.37 4 16.1 1.0
228 6 5 0 39.182 78.364 0.41 3.36 4 2.8 0.0
229 2 7 2 39.205 78.409 0.41 3.36 8 33.3 8.5
230 2 2 5 39.246 78.491 0.411 3.35 8 43.5 14.4
231 7 2 2 39.488 78.977 0.413 3.32 8 29.9 6.7
232 0 3 5 39.599 79.198 0.414 3.31 4 1.6 0.0
233 3 0 5 39.656 79.311 0.414 3.3 4 0.4 0.0
234 2 5 4 39.876 79.752 0.416 3.27 8 41.4 12.8
235 5 6 1 39.925 79.85 0.417 3.26 8 28.5 6.0
236 1 3 5 39.983 79.965 0.417 3.26 8 12.8 1.2
237 6 5 1 39.994 79.988 0.417 3.26 8 28.8 6.2
238 5 2 4 40.008 80.016 0.417 3.25 8 46.7 16.1
239 3 1 5 40.033 80.066 0.418 3.25 8 30.3 6.8
240 0 8 0 40.089 80.178 0.418 3.24 2 33.6 2.1
241 3 6 3 40.271 80.542 0.42 3.22 8 49.2 17.7
242 6 3 3 40.44 80.88 0.421 3.2 8 50.7 18.7
243 1 8 0 40.472 80.944 0.421 3.2 4 28.4 2.9
244 8 0 0 40.49 80.981 0.421 3.2 2 9.8 0.2
245 4 7 0 40.566 81.131 0.422 3.19 4 26.3 2.5
246 7 4 0 40.772 81.544 0.424 3.16 4 16.9 1.0
247 8 1 0 40.866 81.732 0.425 3.15 4 9.3 0.3
248 0 8 1 40.897 81.793 0.425 3.15 4 14.0 0.7
249 4 4 4 41.079 82.158 0.427 3.13 8 30.0 6.4
250 3 7 2 41.119 82.239 0.427 3.13 8 21.7 3.4
251 2 3 5 41.129 82.258 0.427 3.12 8 31.4 7.0
252 3 2 5 41.16 82.32 0.427 3.12 8 18.7 2.5
253 1 8 1 41.278 82.555 0.428 3.11 8 43.2 13.2
254 8 0 1 41.296 82.592 0.428 3.11 4 33.9 4.1
255 7 3 2 41.369 82.738 0.429 3.1 8 20.9 3.1
256 4 7 1 41.371 82.742 0.429 3.1 8 32.6 7.5
257 7 4 1 41.577 83.154 0.431 3.08 8 28.2 5.6
258 2 8 0 41.615 83.23 0.431 3.07 4 50.2 8.8
259 8 1 1 41.67 83.34 0.432 3.07 8 33.2 7.7
260 0 7 3 41.714 83.429 0.432 3.07 4 50.5 8.9
261 3 5 4 41.784 83.568 0.433 3.06 8 23.8 4.0
262 5 3 4 41.884 83.767 0.433 3.05 8 37.2 9.6
263 8 2 0 41.988 83.977 0.434 3.04 4 53.0 9.7
264 7 0 3 42.019 84.038 0.435 3.04 4 34.3 4.1
265 1 7 3 42.094 84.188 0.435 3.03 8 14.8 1.5
266 0 4 5 42.225 84.451 0.436 3.02 4 13.6 0.6
267 5 5 3 42.243 84.486 0.436 3.02 8 36.0 8.9
268 4 0 5 42.325 84.649 0.437 3.01 4 7.5 0.2
269 5 6 2 42.34 84.68 0.437 3.01 8 39.5 10.7
270 7 1 3 42.392 84.785 0.438 3.0 8 30.1 6.2
271 6 5 2 42.408 84.817 0.438 3.0 8 43.3 12.8
272 2 8 1 42.417 84.834 0.438 3.0 8 9.7 0.6
273 0 6 4 42.474 84.949 0.438 3.0 4 38.3 5.0
274 1 4 5 42.604 85.209 0.439 2.99 8 42.9 12.5
275 4 1 5 42.697 85.395 0.44 2.98 8 41.9 11.9
276 6 0 4 42.698 85.395 0.44 2.98 4 39.2 5.2
277 8 2 1 42.789 85.579 0.441 2.97 8 11.3 0.9
278 1 6 4 42.853 85.706 0.441 2.97 8 3.7 0.1
279 4 6 3 42.933 85.865 0.442 2.96 8 32.4 7.1
280 3 3 5 43.026 86.053 0.443 2.95 8 10.1 0.7
281 6 4 3 43.057 86.113 0.443 2.95 8 33.4 7.5
282 6 1 4 43.07 86.14 0.443 2.95 8 3.7 0.1
283 2 7 3 43.23 86.461 0.445 2.94 8 41.4 11.5
284 0 8 2 43.302 86.604 0.445 2.93 4 6.0 0.1
285 6 6 0 43.305 86.61 0.445 2.93 4 19.8 1.3
286 7 2 3 43.509 87.018 0.447 2.92 8 42.1 11.8
287 3 8 0 43.51 87.019 0.447 2.92 4 13.2 0.6
288 1 8 2 43.68 87.36 0.448 2.91 8 53.9 19.2
289 8 0 2 43.698 87.397 0.448 2.9 4 10.6 0.4
290 2 4 5 43.739 87.478 0.449 2.9 8 41.6 11.4
291 4 7 2 43.773 87.546 0.449 2.9 8 26.6 4.7
292 4 2 5 43.813 87.627 0.449 2.9 8 32.2 6.8
293 8 3 0 43.85 87.7 0.45 2.89 4 6.2 0.1
294 7 4 2 43.977 87.954 0.451 2.89 8 21.5 3.0
295 5 7 0 43.98 87.961 0.451 2.89 4 29.2 2.8
296 2 6 4 43.987 87.974 0.451 2.89 8 41.9 11.5
297 8 1 2 44.07 88.14 0.451 2.88 8 50.7 16.8
298 6 6 1 44.103 88.207 0.452 2.88 8 14.5 1.4
299 7 5 0 44.129 88.257 0.452 2.88 4 39.4 5.1
300 6 2 4 44.185 88.37 0.452 2.87 8 26.9 4.7
301 3 8 1 44.308 88.615 0.453 2.87 8 18.1 2.1
302 4 5 4 44.433 88.866 0.454 2.86 8 4.9 0.2
303 5 4 4 44.489 88.977 0.455 2.86 8 16.5 1.8
304 8 3 1 44.648 89.296 0.456 2.85 8 16.1 1.7
305 5 7 1 44.778 89.556 0.457 2.84 8 45.5 13.4
306 2 8 2 44.813 89.626 0.457 2.84 8 15.8 1.6
307 7 5 1 44.926 89.853 0.458 2.83 8 49.8 16.0
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 0 0 1 6.775 13.551 6.529 1243.9 100.0 100.0 5.6
2 1 0 1 8.233 16.466 5.379 551.7 44.4 44.3 5.6
3 0 2 0 9.265 18.529 4.7845 502.2 40.4 40.2 5.6
4 2 0 0 9.342 18.684 4.74515 565.6 45.5 45.3 5.6
5 1 1 1 9.455 18.91 4.68895 910.0 73.2 72.9 5.6
6 1 2 0 10.387 20.774 4.27228 64.8 5.2 5.2 5.6
7 2 1 0 10.439 20.878 4.25116 25.2 2.0 2.0 5.6
8 0 2 1 11.513 23.027 3.85921 21.1 1.7 1.7 5.6
9 1 2 1 12.443 24.886 3.57493 855.2 68.8 68.2 5.6
10 2 1 1 12.487 24.974 3.56253 821.3 66.0 65.5 5.6
11 2 2 0 13.216 26.433 3.36915 140.0 11.3 11.2 5.6
12 0 0 2 13.648 27.296 3.2645 101.0 8.1 8.0 5.6
13 0 1 2 14.437 28.873 3.08965 229.1 18.4 18.2 5.6
14 1 3 0 14.76 29.52 3.02347 226.4 18.2 18.0 5.6
15 3 1 0 14.86 29.72 3.00356 314.8 25.3 25.0 5.6
16 2 2 1 14.908 29.817 2.99402 182.0 14.6 14.5 5.6
17 1 1 2 15.2 30.4 2.93788 240.5 19.3 19.1 5.6
18 1 3 1 16.305 32.611 2.74357 625.6 50.3 49.6 5.6
19 3 1 1 16.397 32.794 2.72867 719.8 57.9 57.1 5.6
20 2 3 0 16.917 33.833 2.64719 23.4 1.9 1.9 5.7
21 3 2 0 16.972 33.944 2.63879 41.4 3.3 3.3 5.7
22 1 2 2 17.275 34.55 2.59392 304.1 24.4 24.1 5.7
23 2 1 2 17.308 34.615 2.58918 345.4 27.8 27.3 5.7
24 2 3 1 18.3 36.599 2.45322 16.8 1.3 1.3 5.7
25 3 2 1 18.352 36.703 2.44653 29.9 2.4 2.4 5.7
26 0 4 0 18.783 37.567 2.39225 15.0 1.2 1.2 5.7
27 2 2 2 19.181 38.362 2.34448 24.1 1.9 1.9 5.7
28 0 3 2 19.733 39.465 2.28143 246.3 19.8 19.4 5.7
29 3 0 2 19.82 39.64 2.27178 193.0 15.5 15.2 5.7
30 3 3 0 20.056 40.112 2.2461 268.1 21.6 21.1 5.7
31 1 3 2 20.319 40.638 2.21824 17.3 1.4 1.4 5.7
32 3 1 2 20.395 40.79 2.21034 18.8 1.5 1.5 5.7
33 1 4 1 20.634 41.268 2.18583 157.5 12.7 12.4 5.7
34 0 0 3 20.728 41.456 2.17633 32.1 2.6 2.5 5.7
35 4 1 1 20.774 41.549 2.17172 136.1 10.9 10.7 5.7
36 2 4 0 21.137 42.273 2.13614 74.4 6.0 5.8 5.7
37 3 3 1 21.264 42.528 2.12393 254.1 20.4 20.0 5.7
38 1 1 3 21.835 43.67 2.07099 121.1 9.7 9.5 5.7
39 2 3 2 22.001 44.002 2.05613 65.1 5.2 5.1 5.7
40 3 2 2 22.046 44.091 2.05219 70.1 5.6 5.5 5.7
41 2 4 1 22.297 44.594 2.03024 61.0 4.9 4.8 5.7
42 4 2 1 22.402 44.804 2.02117 41.6 3.3 3.3 5.7
43 0 2 3 22.882 45.764 1.98102 18.6 1.5 1.5 5.7
44 2 0 3 22.916 45.833 1.9782 28.4 2.3 2.2 5.7
45 2 1 3 23.429 46.859 1.93723 142.5 11.5 11.1 5.7
46 4 3 0 23.868 47.735 1.90368 19.2 1.5 1.5 5.7
47 1 4 2 24.039 48.078 1.89092 53.9 4.3 4.2 5.7
48 4 1 2 24.163 48.327 1.88176 56.9 4.6 4.4 5.7
49 0 5 1 24.798 49.596 1.83653 28.1 2.3 2.2 5.7
50 3 4 1 24.871 49.742 1.83148 77.4 6.2 6.0 5.7
51 2 2 3 24.92 49.84 1.8281 225.0 18.1 17.5 5.7
52 5 0 1 25.0 50.001 1.8226 25.9 2.1 2.0 5.7
53 1 5 1 25.29 50.58 1.80308 39.3 3.2 3.1 5.8
54 5 1 1 25.482 50.964 1.79042 47.7 3.8 3.7 5.8
55 2 5 0 25.721 51.442 1.77488 16.8 1.4 1.3 5.8
56 1 3 3 25.855 51.71 1.76633 36.4 2.9 2.8 5.8
57 5 2 0 25.887 51.773 1.7643 21.6 1.7 1.7 5.8
58 3 1 3 25.918 51.836 1.76233 19.0 1.5 1.5 5.8
59 2 5 1 26.727 53.454 1.71272 18.0 1.4 1.4 5.8
60 5 2 1 26.888 53.777 1.70321 21.5 1.7 1.7 5.8
61 4 4 0 27.21 54.42 1.68458 49.3 4.0 3.8 5.8
62 3 2 3 27.308 54.617 1.67898 35.3 2.8 2.7 5.8
63 0 5 2 27.811 55.622 1.651 72.8 5.9 5.6 5.8
64 3 4 2 27.878 55.756 1.64733 73.9 5.9 5.7 5.8
65 4 3 2 27.93 55.861 1.64449 46.2 3.7 3.6 5.8
66 5 0 2 27.998 55.995 1.64087 76.4 6.1 5.9 5.8
67 4 4 1 28.179 56.358 1.63116 95.5 7.7 7.4 5.8
68 1 5 2 28.266 56.531 1.62657 19.7 1.6 1.5 5.8
69 5 1 2 28.443 56.886 1.61726 26.0 2.1 2.0 5.8
70 0 6 0 28.881 57.761 1.59483 39.1 3.1 3.0 5.8
71 1 4 3 29.033 58.067 1.58716 59.9 4.8 4.6 5.8
72 6 0 0 29.143 58.286 1.58172 55.1 4.4 4.2 5.8
73 2 5 2 29.603 59.206 1.55931 37.8 3.0 2.9 5.8
74 5 2 2 29.754 59.508 1.55212 36.9 3.0 2.8 5.8
75 2 0 4 29.937 59.875 1.54349 13.2 1.1 1.0 5.8
76 2 1 4 30.365 60.729 1.52379 80.5 6.5 6.2 5.8
77 4 2 3 30.434 60.869 1.52064 64.0 5.1 4.9 5.8
78 2 6 0 30.633 61.266 1.51173 46.4 3.7 3.6 5.8
79 6 2 0 30.858 61.716 1.50178 58.7 4.7 4.5 5.8
80 4 4 2 30.967 61.934 1.49701 39.3 3.2 3.0 5.8
81 2 2 4 31.626 63.253 1.46894 20.2 1.6 1.5 5.9
82 6 2 1 31.756 63.512 1.46356 32.9 2.6 2.5 5.9
83 1 3 4 32.432 64.863 1.43631 85.2 6.9 6.5 5.9
84 3 1 4 32.486 64.972 1.43416 97.0 7.8 7.4 5.9
85 4 3 3 32.519 65.038 1.43287 13.9 1.1 1.1 5.9
86 3 6 1 33.615 67.23 1.39138 25.6 2.1 1.9 5.9
87 6 3 1 33.796 67.592 1.38481 32.8 2.6 2.5 5.9
88 5 5 0 34.86 69.719 1.34766 25.0 2.0 1.9 5.9
89 0 7 1 35.149 70.297 1.33799 15.5 1.2 1.2 5.9
90 4 4 3 35.326 70.652 1.33213 74.9 6.0 5.7 5.9
91 7 0 1 35.47 70.94 1.32744 14.1 1.1 1.1 5.9
92 1 7 1 35.549 71.097 1.32489 25.5 2.1 1.9 5.9
93 3 3 4 35.687 71.375 1.32042 71.9 5.8 5.4 5.9
94 6 4 0 35.719 71.438 1.3194 12.5 1.0 0.9 5.9
95 7 1 1 35.862 71.724 1.31485 28.5 2.3 2.1 5.9
96 3 6 2 36.165 72.331 1.3053 81.9 6.6 6.2 5.9
97 6 3 2 36.34 72.681 1.29987 66.9 5.4 5.0 6.0
98 2 7 1 36.737 73.475 1.28777 23.0 1.8 1.7 6.0
99 7 2 1 37.027 74.054 1.27912 24.8 2.0 1.9 6.0
100 1 2 5 38.085 76.17 1.24877 51.8 4.2 3.9 6.0
101 2 6 3 38.345 76.691 1.24159 20.6 1.7 1.5 6.0
102 3 7 1 38.688 77.376 1.2323 16.6 1.3 1.2 6.0
103 1 5 4 38.721 77.442 1.23141 38.3 3.1 2.9 6.0
104 5 1 4 38.873 77.746 1.22735 31.3 2.5 2.3 6.0
105 2 2 5 39.246 78.491 1.21755 14.4 1.2 1.1 6.0
106 2 5 4 39.876 79.752 1.20144 12.8 1.0 0.9 6.0
107 5 2 4 40.008 80.016 1.19814 30.3 2.4 2.2 6.0
108 3 6 3 40.271 80.542 1.19165 17.7 1.4 1.3 6.1
109 6 3 3 40.44 80.88 1.18751 18.7 1.5 1.4 6.1
110 1 8 1 41.278 82.555 1.16761 17.2 1.4 1.3 6.1
111 6 5 2 42.408 84.817 1.14215 19.6 1.6 1.4 6.1
112 1 4 5 42.604 85.209 1.1379 12.5 1.0 0.9 6.1
113 4 1 5 42.697 85.395 1.13589 17.1 1.4 1.2 6.1
114 1 8 2 43.68 87.36 1.11533 19.6 1.6 1.4 6.2
115 2 6 4 43.987 87.974 1.10912 17.3 1.4 1.3 6.2
116 8 1 2 44.07 88.14 1.10746 16.8 1.4 1.2 6.2
117 5 7 1 44.778 89.556 1.09359 13.4 1.1 1.0 6.2
118 7 5 1 44.926 89.853 1.09074 16.0 1.3 1.2 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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