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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MARIALITE
11, syn, f-feldspathoid, s-scapolite
Na(4)Al(3)Si(9)O(24)Cl
Tetragonal I 4/m Z = 2
R =0.0204 NR =1059
6 .11 .1998
Ref.Str.:
Kabalov Yu.K., Sokolova E.V., Sheriff B., Jenkins D. (1998)
* Kristallogr., 43, 626-631
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.0391 alpha = 90.0
b = 12.0391 beta = 90.0
c = 7.5421 gamma = 90.0
Unit cell volume (cub. angs.) = 1093.15
Molar volume ( cub.cm/mol.) = 329.22
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3718 0.2981 0.5 4.4 Na = 1.00
2 0.3392 0.4109 0.0 1.29 Si = 1.00
3 0.6616 0.9149 0.793 1.71 Si = 0.7 , Al = 0.3
4 0.4564 0.3507 0.0 1.4 O = 1.00
5 0.6919 0.8789 0.0 1.3 O = 1.00
6 0.3519 0.9495 0.7847 2.4 O = 1.00
7 0.2681 0.371 0.8231 1.9 O = 1.00
8 0.5 0.5 0.5 5.2 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3718 0.2981 0.5
2 2 0.3392 0.4109 0.0
3 3 0.6616 0.9149 0.793
4 4 0.4564 0.3507 0.0
5 5 0.6919 0.8789 0.0
6 6 0.3519 0.9495 0.7847
7 7 0.2681 0.371 0.8231
8 8 0.5 0.5 0.5
9 1 0.7019 0.3718 0.5
10 1 0.6282 0.7019 0.5
11 1 0.2981 0.6282 0.5
12 2 0.5891 0.3392 0.0
13 2 0.6608 0.5891 0.0
14 2 0.4109 0.6608 0.0
15 3 0.0851 0.6616 0.793
16 3 0.3384 0.0851 0.793
17 3 0.9149 0.3384 0.793
18 4 0.6493 0.4564 0.0
19 4 0.5436 0.6493 0.0
20 4 0.3507 0.5436 0.0
21 5 0.1211 0.6919 0.0
22 5 0.3081 0.1211 0.0
23 5 0.8789 0.3081 0.0
24 6 0.0505 0.3519 0.7847
25 6 0.6481 0.0505 0.7847
26 6 0.9495 0.6481 0.7847
27 7 0.629 0.2681 0.8231
28 7 0.7319 0.629 0.8231
29 7 0.371 0.7319 0.8231
30 1 0.1282 0.2019 0.0
31 2 0.1608 0.0891 0.5
32 3 0.8384 0.5851 0.293
33 4 0.0436 0.1493 0.5
34 5 0.8081 0.6211 0.5
35 6 0.1481 0.5505 0.2847
36 7 0.2319 0.129 0.3231
37 8 0.0 0.0 0.0
38 1 0.7981 0.1282 0.0
39 1 0.8718 0.7981 0.0
40 1 0.2019 0.8718 0.0
41 2 0.9109 0.1608 0.5
42 2 0.8392 0.9109 0.5
43 2 0.0891 0.8392 0.5
44 3 0.4149 0.8384 0.293
45 3 0.1616 0.4149 0.293
46 3 0.5851 0.1616 0.293
47 4 0.8507 0.0436 0.5
48 4 0.9564 0.8507 0.5
49 4 0.1493 0.9564 0.5
50 5 0.3789 0.8081 0.5
51 5 0.1919 0.3789 0.5
52 5 0.6211 0.1919 0.5
53 6 0.4495 0.1481 0.2847
54 6 0.8519 0.4495 0.2847
55 6 0.5505 0.8519 0.2847
56 7 0.871 0.2319 0.3231
57 7 0.7681 0.871 0.3231
58 7 0.129 0.7681 0.3231
59 3 0.6616 0.9149 0.207
60 6 0.3519 0.9495 0.2153
61 7 0.2681 0.371 0.1769
62 3 0.0851 0.6616 0.207
63 3 0.3384 0.0851 0.207
64 3 0.9149 0.3384 0.207
65 6 0.0505 0.3519 0.2153
66 6 0.6481 0.0505 0.2153
67 6 0.9495 0.6481 0.2153
68 7 0.629 0.2681 0.1769
69 7 0.7319 0.629 0.1769
70 7 0.371 0.7319 0.1769
71 3 0.8384 0.5851 0.707
72 6 0.1481 0.5505 0.7153
73 7 0.2319 0.129 0.6769
74 3 0.4149 0.8384 0.707
75 3 0.1616 0.4149 0.707
76 3 0.5851 0.1616 0.707
77 6 0.4495 0.1481 0.7153
78 6 0.8519 0.4495 0.7153
79 6 0.5505 0.8519 0.7153
80 7 0.871 0.2319 0.6769
81 7 0.7681 0.871 0.6769
82 7 0.129 0.7681 0.6769
X-ray density (g/cm cub.) = 2.57
MU (1/cm) = 92.413 Mass attenuation coefficient (cm**2/g) = 35.977
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 3.348 9
2.8753 7
2.8793 8
2.96 7
2.3743 5
3.2623 5
2.6025 6
2.8753 7
2.96 7
2.6025 6
2 Si 2.64 4
1.5862 4
1.6564 7
1.6036 4
1.6564 7
3 Si ,Al 2.856 4
1.6608 5
1.6418 6
1.6455 6
1.6401 7
4 O 3.804 10
2.6418 7
2.6481 4
3.745 4
2.6481 4
3.2906 5
2.6621 7
3.2507 6
2.6418 7
2.6621 7
3.2507 6
5 O 3.804 9
3.2906 4
2.6801 6
3.3262 7
2.7594 6
2.6055 7
2.6801 6
3.3262 7
2.7594 6
2.6055 7
6 O 3.804 10
2.6801 5
3.7676 6
2.6457 7
3.2507 4
2.7594 5
3.2476 6
2.7236 7
2.715 6
2.715 6
3.5541 7
7 O 3.804 9
2.6418 4
2.6621 4
3.3262 5
2.6457 6
2.6055 5
2.6684 7
2.7236 6
3.1455 7
3.5541 6
8 Cl 4.344 20
4.2104 4
4.2104 4
4.018 7
4.2104 4
4.2104 4
4.2104 4
4.2104 4
4.2104 4
4.2104 4
4.018 7
4.018 7
4.018 7
3.9855 5
3.9855 5
3.9855 5
3.9855 5
4.018 7
4.018 7
4.018 7
4.018 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 1 0 5.191 10.383 0.059 241.3 4 37.9 116.0
2 1 0 1 6.922 13.844 0.078 134.74 8 43.6 171.4
3 2 0 0 7.352 14.704 0.083 119.19 4 33.7 45.2
4 1 2 1 10.124 20.248 0.114 61.81 8 25.9 27.7
5 2 1 1 10.124 20.248 0.114 61.81 8 6.0 1.5
6 2 2 0 10.426 20.852 0.117 58.16 4 62.0 74.9
7 1 3 0 11.673 23.346 0.131 45.97 4 65.8 66.5
8 3 1 0 11.673 23.346 0.131 45.97 4 180.8 502.9
9 0 0 2 11.786 23.573 0.133 45.05 2 15.8 1.9
10 3 0 1 12.558 25.116 0.141 39.44 8 98.4 255.5
11 1 1 2 12.909 25.818 0.145 37.21 8 206.7 1064.1
12 2 0 2 13.948 27.895 0.156 31.59 8 2.3 0.1
13 2 3 1 14.613 29.226 0.164 28.6 8 184.9 654.5
14 3 2 1 14.613 29.226 0.164 28.6 8 11.3 2.4
15 4 0 0 14.828 29.657 0.166 27.72 4 199.0 367.4
16 3 3 0 15.751 31.501 0.176 24.35 4 77.3 48.7
17 2 2 2 15.837 31.673 0.177 24.07 8 39.9 25.6
18 1 4 1 16.432 32.865 0.184 22.22 8 109.1 177.0
19 4 1 1 16.432 32.865 0.184 22.22 8 6.5 0.6
20 2 4 0 16.627 33.253 0.186 21.66 4 105.9 81.4
21 4 2 0 16.627 33.253 0.186 21.66 4 11.2 0.9
22 1 3 2 16.709 33.417 0.187 21.43 8 42.1 25.4
23 3 1 2 16.709 33.417 0.187 21.43 8 153.5 338.3
24 1 0 3 18.24 36.48 0.203 17.7 8 22.6 6.1
25 1 5 0 19.041 38.082 0.212 16.1 4 63.3 21.6
26 5 1 0 19.041 38.082 0.212 16.1 4 25.5 3.5
27 4 0 2 19.114 38.228 0.213 15.96 8 21.3 4.8
28 3 4 1 19.622 39.244 0.218 15.06 8 73.0 53.8
29 4 3 1 19.622 39.244 0.218 15.06 8 67.0 45.3
30 5 0 1 19.622 39.244 0.218 15.06 8 10.3 1.1
31 1 2 3 19.764 39.528 0.219 14.82 8 20.2 4.1
32 2 1 3 19.764 39.528 0.219 14.82 8 11.6 1.3
33 3 3 2 19.86 39.719 0.221 14.66 8 37.2 13.6
34 2 4 2 20.583 41.166 0.228 13.54 8 25.5 5.9
35 4 2 2 20.583 41.166 0.228 13.54 8 62.1 35.0
36 2 5 1 21.061 42.123 0.233 12.86 8 22.8 4.5
37 5 2 1 21.061 42.123 0.233 12.86 8 56.5 27.5
38 3 0 3 21.195 42.391 0.235 12.68 8 92.7 72.9
39 4 4 0 21.219 42.438 0.235 12.65 4 31.7 4.3
40 3 5 0 21.905 43.811 0.242 11.78 4 71.5 20.2
41 5 3 0 21.905 43.811 0.242 11.78 4 15.5 0.9
42 2 3 3 22.552 45.105 0.249 11.03 8 41.3 12.6
43 3 2 3 22.552 45.105 0.249 11.03 8 83.6 51.7
44 6 0 0 22.575 45.15 0.249 11.0 4 37.1 5.1
45 1 5 2 22.638 45.277 0.25 10.93 8 37.0 10.0
46 5 1 2 22.638 45.277 0.25 10.93 8 31.4 7.2
47 1 6 1 23.726 47.452 0.261 9.83 8 21.9 3.1
48 6 1 1 23.726 47.452 0.261 9.83 8 106.5 74.6
49 1 4 3 23.848 47.696 0.262 9.72 8 143.7 134.4
50 4 1 3 23.848 47.696 0.262 9.72 8 64.1 26.8
51 2 6 0 23.869 47.739 0.263 9.7 4 86.7 24.4
52 6 2 0 23.869 47.739 0.263 9.7 4 175.1 99.5
53 0 0 4 24.112 48.224 0.265 9.48 2 273.4 118.6
54 4 4 2 24.557 49.114 0.27 9.09 8 21.8 2.9
55 1 1 4 24.735 49.47 0.272 8.94 8 12.5 0.9
56 4 5 1 24.975 49.95 0.274 8.75 8 52.5 16.1
57 5 4 1 24.975 49.95 0.274 8.75 8 11.7 0.8
58 3 5 2 25.172 50.343 0.276 8.6 8 92.8 49.5
59 5 3 2 25.172 50.343 0.276 8.6 8 71.2 29.2
60 2 0 4 25.347 50.693 0.278 8.46 8 12.7 0.9
61 6 0 2 25.776 51.551 0.282 8.14 8 39.9 8.7
62 3 6 1 26.18 52.359 0.286 7.86 8 73.2 28.2
63 6 3 1 26.18 52.359 0.286 7.86 8 44.5 10.4
64 3 4 3 26.293 52.586 0.288 7.78 8 20.6 2.2
65 4 3 3 26.293 52.586 0.288 7.78 8 16.2 1.4
66 5 0 3 26.293 52.586 0.288 7.78 8 60.2 18.9
67 2 2 4 26.539 53.079 0.29 7.62 8 27.1 3.7
68 1 7 0 26.899 53.798 0.294 7.39 4 99.7 24.6
69 5 5 0 26.899 53.798 0.294 7.39 4 10.1 0.3
70 7 1 0 26.899 53.798 0.294 7.39 4 118.2 34.5
71 2 6 2 26.955 53.909 0.294 7.35 8 33.5 5.5
72 6 2 2 26.955 53.909 0.294 7.35 8 9.1 0.4
73 1 3 4 27.122 54.243 0.296 7.25 8 1.5 0.0
74 3 1 4 27.122 54.243 0.296 7.25 8 25.1 3.1
75 7 0 1 27.346 54.693 0.298 7.12 8 14.2 1.0
76 2 5 3 27.457 54.913 0.299 7.05 8 65.0 19.9
77 5 2 3 27.457 54.913 0.299 7.05 8 26.2 3.2
78 4 6 0 27.476 54.952 0.299 7.04 4 66.8 10.5
79 6 4 0 27.476 54.952 0.299 7.04 4 32.1 2.4
80 2 7 1 28.48 56.961 0.31 6.49 8 85.8 32.0
81 7 2 1 28.48 56.961 0.31 6.49 8 25.8 2.9
82 4 0 4 28.821 57.641 0.313 6.32 8 91.7 35.6
83 3 7 0 29.161 58.322 0.316 6.15 4 28.4 1.7
84 7 3 0 29.161 58.322 0.316 6.15 4 67.6 9.4
85 3 3 4 29.373 58.745 0.318 6.05 8 16.7 1.1
86 1 6 3 29.691 59.382 0.322 5.91 8 94.5 35.3
87 6 1 3 29.691 59.382 0.322 5.91 8 61.8 15.1
88 1 7 2 29.762 59.523 0.322 5.88 8 35.0 4.8
89 5 5 2 29.762 59.523 0.322 5.88 8 27.4 3.0
90 7 1 2 29.762 59.523 0.322 5.88 8 63.2 15.7
91 2 4 4 29.918 59.836 0.324 5.81 8 28.9 3.3
92 4 2 4 29.918 59.836 0.324 5.81 8 20.1 1.6
93 4 6 2 30.303 60.606 0.328 5.65 8 4.3 0.1
94 6 4 2 30.303 60.606 0.328 5.65 8 40.6 6.2
95 5 6 1 30.667 61.333 0.331 5.5 8 41.9 6.5
96 6 5 1 30.667 61.333 0.331 5.5 8 9.3 0.3
97 4 5 3 30.769 61.538 0.332 5.46 8 19.2 1.3
98 5 4 3 30.769 61.538 0.332 5.46 8 102.2 38.2
99 8 0 0 30.787 61.575 0.332 5.45 4 9.1 0.2
100 1 0 5 30.974 61.948 0.334 5.38 8 17.7 1.1
101 1 5 4 31.521 63.041 0.339 5.17 8 18.6 1.2
102 5 1 4 31.521 63.041 0.339 5.17 8 40.6 5.7
103 1 8 1 31.725 63.451 0.341 5.1 8 12.0 0.5
104 4 7 1 31.725 63.451 0.341 5.1 8 58.2 11.6
105 7 4 1 31.725 63.451 0.341 5.1 8 37.2 4.7
106 8 1 1 31.725 63.451 0.341 5.1 8 13.8 0.7
107 3 6 3 31.826 63.652 0.342 5.07 8 17.3 1.0
108 6 3 3 31.826 63.652 0.342 5.07 8 51.5 9.0
109 2 8 0 31.844 63.688 0.342 5.06 4 54.0 4.9
110 8 2 0 31.844 63.688 0.342 5.06 4 27.2 1.3
111 3 7 2 31.894 63.788 0.343 5.04 8 99.3 33.3
112 7 3 2 31.894 63.788 0.343 5.04 8 91.8 28.5
113 1 2 5 32.027 64.054 0.344 5.0 8 73.8 18.2
114 2 1 5 32.027 64.054 0.344 5.0 8 4.9 0.1
115 7 0 3 32.864 65.728 0.352 4.73 8 92.6 27.1
116 6 6 0 32.881 65.763 0.352 4.72 4 159.1 40.0
117 3 0 5 33.061 66.123 0.354 4.67 8 116.2 42.2
118 4 4 4 33.079 66.157 0.354 4.66 8 27.9 2.4
119 5 7 0 33.394 66.788 0.357 4.57 4 21.5 0.7
120 7 5 0 33.394 66.788 0.357 4.57 4 95.2 13.9
121 8 0 2 33.443 66.886 0.358 4.55 8 13.9 0.6
122 3 5 4 33.59 67.179 0.359 4.51 8 12.5 0.5
123 5 3 4 33.59 67.179 0.359 4.51 8 27.5 2.3
124 3 8 1 33.788 67.575 0.361 4.46 8 14.8 0.7
125 8 3 1 33.788 67.575 0.361 4.46 8 30.1 2.7
126 2 7 3 33.885 67.77 0.362 4.43 8 97.5 28.2
127 7 2 3 33.885 67.77 0.362 4.43 8 15.7 0.7
128 2 3 5 34.08 68.159 0.364 4.38 8 143.5 60.3
129 3 2 5 34.08 68.159 0.364 4.38 8 8.3 0.2
130 6 0 4 34.097 68.193 0.364 4.37 8 35.7 3.7
131 2 8 2 34.455 68.911 0.367 4.28 8 134.8 52.1
132 8 2 2 34.455 68.911 0.367 4.28 8 144.7 60.0
133 4 8 0 34.909 69.817 0.371 4.17 4 96.5 13.0
134 8 4 0 34.909 69.817 0.371 4.17 4 82.1 9.4
135 1 4 5 35.083 70.167 0.373 4.12 8 36.9 3.8
136 4 1 5 35.083 70.167 0.373 4.12 8 26.1 1.9
137 2 6 4 35.1 70.201 0.373 4.12 8 27.9 2.1
138 6 2 4 35.1 70.201 0.373 4.12 8 108.2 32.3
139 1 9 0 35.407 70.814 0.376 4.05 4 124.8 21.1
140 9 1 0 35.407 70.814 0.376 4.05 4 16.0 0.3
141 6 6 2 35.454 70.909 0.377 4.04 8 48.2 6.3
142 9 0 1 35.79 71.581 0.38 3.96 8 60.6 9.7
143 5 6 3 35.885 71.77 0.38 3.94 8 109.1 31.4
144 6 5 3 35.885 71.77 0.38 3.94 8 17.3 0.8
145 5 7 2 35.949 71.899 0.381 3.93 8 67.0 11.8
146 7 5 2 35.949 71.899 0.381 3.93 8 38.7 3.9
147 2 9 1 36.774 73.547 0.389 3.76 8 9.8 0.2
148 6 7 1 36.774 73.547 0.389 3.76 8 46.8 5.5
149 7 6 1 36.774 73.547 0.389 3.76 8 60.6 9.3
150 9 2 1 36.774 73.547 0.389 3.76 8 58.4 8.6
151 1 8 3 36.868 73.735 0.389 3.74 8 54.9 7.6
152 4 7 3 36.868 73.735 0.389 3.74 8 12.4 0.4
153 7 4 3 36.868 73.735 0.389 3.74 8 21.6 1.2
154 8 1 3 36.868 73.735 0.389 3.74 8 61.2 9.4
155 3 4 5 37.055 74.11 0.391 3.71 8 41.6 4.3
156 4 3 5 37.055 74.11 0.391 3.71 8 89.8 20.0
157 5 0 5 37.055 74.11 0.391 3.71 8 46.6 5.4
158 3 9 0 37.372 74.743 0.394 3.65 4 11.5 0.2
159 9 3 0 37.372 74.743 0.394 3.65 4 48.9 2.9
160 4 8 2 37.418 74.837 0.394 3.64 8 16.3 0.6
161 8 4 2 37.418 74.837 0.394 3.64 8 43.4 4.6
162 1 7 4 37.558 75.116 0.396 3.62 8 68.1 11.2
163 5 5 4 37.558 75.116 0.396 3.62 8 9.9 0.2
164 7 1 4 37.558 75.116 0.396 3.62 8 46.7 5.3
165 5 8 1 37.747 75.495 0.397 3.59 8 27.5 1.8
166 8 5 1 37.747 75.495 0.397 3.59 8 15.0 0.5
167 0 0 6 37.791 75.582 0.398 3.58 2 148.2 13.2
168 1 9 2 37.903 75.806 0.399 3.56 8 68.5 11.2
169 9 1 2 37.903 75.806 0.399 3.56 8 65.9 10.4
170 2 5 5 38.026 76.052 0.4 3.54 8 27.3 1.8
171 5 2 5 38.026 76.052 0.4 3.54 8 43.9 4.6
172 4 6 4 38.043 76.085 0.4 3.54 8 23.6 1.3
173 6 4 4 38.043 76.085 0.4 3.54 8 11.1 0.3
174 1 1 6 38.274 76.549 0.402 3.5 8 45.1 4.8
175 2 0 6 38.756 77.512 0.406 3.43 8 22.2 1.1
176 3 8 3 38.805 77.609 0.407 3.42 8 6.3 0.1
177 8 3 3 38.805 77.609 0.407 3.42 8 15.0 0.5
178 7 7 0 39.3 78.601 0.411 3.35 4 15.9 0.3
179 3 7 4 39.484 78.968 0.413 3.32 8 47.0 4.9
180 7 3 4 39.484 78.968 0.413 3.32 8 39.7 3.5
181 4 9 1 39.67 79.34 0.414 3.3 8 5.3 0.1
182 9 4 1 39.67 79.34 0.414 3.3 8 23.1 1.2
183 2 2 6 39.713 79.427 0.415 3.29 8 4.3 0.0
184 6 8 0 39.778 79.556 0.415 3.28 4 10.4 0.1
185 8 6 0 39.778 79.556 0.415 3.28 4 27.5 0.8
186 10 0 0 39.778 79.556 0.415 3.28 4 41.2 1.9
187 3 9 2 39.824 79.648 0.416 3.28 8 3.9 0.0
188 9 3 2 39.824 79.648 0.416 3.28 8 32.6 2.3
189 1 6 5 39.945 79.89 0.417 3.26 8 47.7 5.0
190 6 1 5 39.945 79.89 0.417 3.26 8 103.2 23.2
191 1 3 6 40.19 80.38 0.419 3.23 8 60.3 7.9
192 3 1 6 40.19 80.38 0.419 3.23 8 13.3 0.4
193 1 10 1 40.622 81.244 0.423 3.18 8 36.7 2.9
194 10 1 1 40.622 81.244 0.423 3.18 8 18.1 0.7
195 9 0 3 40.713 81.426 0.423 3.17 8 45.6 4.4
196 2 10 0 40.729 81.459 0.424 3.17 4 18.7 0.4
197 10 2 0 40.729 81.459 0.424 3.17 4 68.2 4.9
198 4 5 5 40.895 81.791 0.425 3.15 8 37.7 3.0
199 5 4 5 40.895 81.791 0.425 3.15 8 40.1 3.4
200 8 0 4 40.911 81.823 0.425 3.15 8 28.1 1.7
201 5 9 0 41.203 82.406 0.428 3.12 4 116.7 14.2
202 9 5 0 41.203 82.406 0.428 3.12 4 79.3 6.6
203 4 0 6 41.612 83.224 0.431 3.08 8 40.3 3.4
204 2 9 3 41.66 83.32 0.431 3.07 8 5.2 0.1
205 6 7 3 41.66 83.32 0.431 3.07 8 49.6 5.1
206 7 6 3 41.66 83.32 0.431 3.07 8 24.6 1.2
207 9 2 3 41.66 83.32 0.431 3.07 8 26.9 1.5
208 7 7 2 41.721 83.442 0.432 3.06 8 72.1 10.7
209 3 6 5 41.841 83.682 0.433 3.05 8 71.2 10.4
210 6 3 5 41.841 83.682 0.433 3.05 8 70.1 10.0
211 2 8 4 41.857 83.714 0.433 3.05 8 27.8 1.6
212 8 2 4 41.857 83.714 0.433 3.05 8 14.5 0.4
213 3 3 6 42.084 84.168 0.435 3.03 8 3.6 0.0
214 6 8 2 42.193 84.386 0.436 3.02 8 28.9 1.7
215 8 6 2 42.193 84.386 0.436 3.02 8 89.9 16.3
216 10 0 2 42.193 84.386 0.436 3.02 8 43.5 3.8
217 3 10 1 42.512 85.025 0.439 2.99 8 21.1 0.9
218 10 3 1 42.512 85.025 0.439 2.99 8 0.2 0.0
219 2 4 6 42.555 85.11 0.439 2.99 8 24.9 1.2
220 4 2 6 42.555 85.11 0.439 2.99 8 31.3 2.0
221 5 8 3 42.603 85.206 0.439 2.99 8 67.6 9.1
222 8 5 3 42.603 85.206 0.439 2.99 8 57.5 6.6
223 7 0 5 42.784 85.567 0.441 2.97 8 68.6 9.4
224 6 6 4 42.8 85.599 0.441 2.97 8 78.0 12.1
225 2 10 2 43.134 86.269 0.444 2.94 8 24.5 1.2
226 10 2 2 43.134 86.269 0.444 2.94 8 2.3 0.0
227 5 7 4 43.27 86.54 0.445 2.93 8 35.0 2.4
228 7 5 4 43.27 86.54 0.445 2.93 8 42.5 3.5
229 7 8 1 43.453 86.906 0.446 2.92 8 20.9 0.9
230 8 7 1 43.453 86.906 0.446 2.92 8 6.4 0.1
231 4 10 0 43.559 87.118 0.447 2.91 4 18.4 0.3
232 10 4 0 43.559 87.118 0.447 2.91 4 10.2 0.1
233 5 9 2 43.604 87.208 0.448 2.91 8 76.7 11.5
234 9 5 2 43.604 87.208 0.448 2.91 8 31.3 1.9
235 2 7 5 43.724 87.447 0.449 2.9 8 58.3 6.6
236 7 2 5 43.724 87.447 0.449 2.9 8 16.5 0.5
237 1 5 6 43.965 87.93 0.451 2.89 8 8.5 0.1
238 5 1 6 43.965 87.93 0.451 2.89 8 4.6 0.0
239 6 9 1 44.392 88.784 0.454 2.86 8 12.4 0.3
240 9 6 1 44.392 88.784 0.454 2.86 8 53.2 5.4
241 4 9 3 44.482 88.964 0.455 2.86 8 16.0 0.5
242 9 4 3 44.482 88.964 0.455 2.86 8 6.7 0.1
243 4 8 4 44.678 89.356 0.456 2.84 8 44.0 3.7
244 8 4 4 44.678 89.356 0.456 2.84 8 49.1 4.6
245 1 11 0 44.967 89.934 0.459 2.83 4 41.7 1.6
246 11 1 0 44.967 89.934 0.459 2.83 4 14.2 0.2
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 0 5.191 10.383 8.51293 116.0 10.9 11.0 5.6
2 1 0 1 6.922 13.844 6.39147 171.4 16.1 16.2 5.6
3 2 0 0 7.352 14.704 6.01955 45.2 4.2 4.3 5.6
4 1 2 1 10.124 20.248 4.38205 29.1 2.7 2.8 5.6
5 2 2 0 10.426 20.852 4.25646 74.9 7.0 7.1 5.6
6 3 1 0 11.673 23.346 3.8071 569.5 53.5 53.6 5.6
7 3 0 1 12.558 25.116 3.54275 255.5 24.0 24.0 5.6
8 1 1 2 12.909 25.818 3.4479 1064.1 100.0 100.0 5.6
9 2 3 1 14.613 29.226 3.05321 657.0 61.7 61.6 5.6
10 4 0 0 14.828 29.657 3.00978 367.4 34.5 34.4 5.6
11 3 3 0 15.751 31.501 2.83764 48.7 4.6 4.6 5.6
12 2 2 2 15.837 31.673 2.82262 25.6 2.4 2.4 5.6
13 1 4 1 16.432 32.865 2.72297 177.6 16.7 16.6 5.6
14 2 4 0 16.627 33.253 2.69202 82.3 7.7 7.7 5.6
15 3 1 2 16.709 33.417 2.67919 363.7 34.2 34.0 5.7
16 1 5 0 19.041 38.082 2.36106 25.1 2.4 2.3 5.7
17 3 4 1 19.622 39.244 2.29376 100.2 9.4 9.3 5.7
18 3 3 2 19.86 39.719 2.26741 13.6 1.3 1.3 5.7
19 4 2 2 20.583 41.166 2.19103 40.9 3.8 3.8 5.7
20 5 2 1 21.061 42.123 2.14342 32.0 3.0 3.0 5.7
21 3 0 3 21.195 42.391 2.13049 77.2 7.3 7.1 5.7
22 3 5 0 21.905 43.811 2.06469 21.1 2.0 2.0 5.7
23 3 2 3 22.552 45.105 2.00841 69.3 6.5 6.4 5.7
24 1 5 2 22.638 45.277 2.00118 17.2 1.6 1.6 5.7
25 6 1 1 23.726 47.452 1.9144 77.8 7.3 7.2 5.7
26 1 4 3 23.848 47.696 1.90516 285.1 26.8 26.2 5.7
27 0 0 4 24.112 48.224 1.88552 118.6 11.1 10.9 5.7
28 4 5 1 24.975 49.95 1.82436 16.9 1.6 1.6 5.7
29 3 5 2 25.172 50.343 1.81101 78.7 7.4 7.2 5.8
30 3 6 1 26.18 52.359 1.74593 38.7 3.6 3.5 5.8
31 5 0 3 26.293 52.586 1.73892 22.5 2.1 2.1 5.8
32 7 1 0 26.899 53.798 1.70259 59.4 5.6 5.4 5.8
33 2 5 3 27.457 54.913 1.67061 36.1 3.4 3.3 5.8
34 2 7 1 28.48 56.961 1.61532 34.9 3.3 3.2 5.8
35 4 0 4 28.821 57.641 1.59787 35.6 3.3 3.2 5.8
36 7 3 0 29.161 58.322 1.58081 11.1 1.0 1.0 5.8
37 1 6 3 29.691 59.382 1.55512 50.4 4.7 4.6 5.8
38 7 1 2 29.762 59.523 1.55176 23.5 2.2 2.1 5.8
39 5 4 3 30.769 61.538 1.50568 39.7 3.7 3.6 5.8
40 4 7 1 31.725 63.451 1.46483 16.9 1.6 1.5 5.9
41 8 2 0 31.844 63.688 1.45996 16.2 1.5 1.5 5.9
42 3 7 2 31.894 63.788 1.4579 61.8 5.8 5.6 5.9
43 1 2 5 32.027 64.054 1.45249 18.3 1.7 1.6 5.9
44 6 6 0 32.881 65.763 1.41882 67.1 6.3 6.0 5.9
45 3 0 5 33.061 66.123 1.41197 44.6 4.2 4.0 5.9
46 7 5 0 33.394 66.788 1.39952 13.9 1.3 1.2 5.9
47 2 7 3 33.885 67.77 1.3816 28.9 2.7 2.6 5.9
48 2 3 5 34.08 68.159 1.37466 64.3 6.0 5.7 5.9
49 8 2 2 34.455 68.911 1.36148 112.1 10.5 10.0 5.9
50 4 8 0 34.909 69.817 1.34601 22.4 2.1 2.0 5.9
51 6 2 4 35.1 70.201 1.33959 40.1 3.8 3.6 5.9
52 1 9 0 35.407 70.814 1.3295 21.5 2.0 1.9 5.9
53 5 6 3 35.885 71.77 1.3141 32.2 3.0 2.9 5.9
54 5 7 2 35.949 71.899 1.31207 15.8 1.5 1.4 5.9
55 9 2 1 36.774 73.547 1.28668 23.4 2.2 2.1 6.0
56 8 1 3 36.868 73.735 1.28387 18.5 1.7 1.6 6.0
57 5 0 5 37.055 74.11 1.27829 29.7 2.8 2.6 6.0
58 1 7 4 37.558 75.116 1.26365 16.8 1.6 1.5 6.0
59 0 0 6 37.791 75.582 1.25702 13.2 1.2 1.2 6.0
60 1 9 2 37.903 75.806 1.25385 21.6 2.0 1.9 6.0
61 6 1 5 39.945 79.89 1.19971 28.2 2.7 2.5 6.0
62 5 9 0 41.203 82.406 1.16934 20.8 2.0 1.8 6.1
63 7 7 2 41.721 83.442 1.15743 10.7 1.0 0.9 6.1
64 3 6 5 41.841 83.682 1.15472 22.4 2.1 1.9 6.1
65 10 0 2 42.193 84.386 1.14688 21.9 2.1 1.9 6.1
66 5 8 3 42.603 85.206 1.13793 15.7 1.5 1.4 6.1
67 6 6 4 42.8 85.599 1.13371 21.4 2.0 1.8 6.1
68 5 9 2 43.604 87.208 1.11688 13.4 1.3 1.1 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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