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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PROTOFERRO_ANTHOPHYLLITE
1, f-amphiboles, sf-Mg-Fe-amphiboles, s-anthophyllite
[Fe(0.8)Mn(0.2)](2)[Fe(0.96)Mg(0.02)](5)[Si(4)O(11)](2)(OH)(2)
Orthorhombic P nmn Z = 2
Pnmn
23 .10 .1998
Ref.Str.:
Sueno S., Matsuura S., Gibbs G.V., Bounsen M.B. (1998)
* Phys. Chem. Minerals, 25, 366-377
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.388 alpha = 90.0
b = 18.387 beta = 90.0
c = 5.347 gamma = 90.0
Unit cell volume (cub. angs.) = 922.98
Molar volume ( cub.cm/mol.) = 277.97
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0883 0.5 0.55 Fe = 1.00
2 0.0 0.18 0.0 0.45 Fe = 0.95, Mg = 0.05
3 0.0 0.0 0.0 0.54 Fe = 1.00
4 0.0 0.2588 0.5 0.75 Fe = 0.8 , Mn = 0.2
5 0.285 0.0835 0.1635 0.45 Si = 1.00
6 0.2972 0.1667 0.6611 0.49 Si = 1.00
7 0.1127 0.0881 0.1621 0.65 O = 1.00
8 0.1254 0.1741 0.6646 0.69 O = 1.00
9 0.1139 0.0 0.6613 0.74 O = 1.00
10 0.1163 0.2583 0.1912 0.85 O = 1.00
11 0.3472 0.1247 0.4083 0.89 O = 1.00
12 0.3478 0.1211 0.9123 1.07 O = 1.00
13 0.3397 0.0 0.1722 1.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0883 0.5
2 2 0.0 0.18 0.0
3 3 0.0 0.0 0.0
4 4 0.0 0.2588 0.5
5 5 0.285 0.0835 0.1635
6 6 0.2972 0.1667 0.6611
7 7 0.1127 0.0881 0.1621
8 8 0.1254 0.1741 0.6646
9 9 0.1139 0.0 0.6613
10 10 0.1163 0.2583 0.1912
11 11 0.3472 0.1247 0.4083
12 12 0.3478 0.1211 0.9123
13 13 0.3397 0.0 0.1722
14 1 0.0 0.9117 0.5
15 2 0.0 0.82 0.0
16 4 0.0 0.7412 0.5
17 5 0.715 0.9165 0.8365
18 6 0.7028 0.8333 0.3389
19 7 0.8873 0.9119 0.8379
20 8 0.8746 0.8259 0.3354
21 9 0.8861 0.0 0.3387
22 10 0.8837 0.7417 0.8088
23 11 0.6528 0.8753 0.5917
24 12 0.6522 0.8789 0.0877
25 13 0.6603 0.0 0.8278
26 5 0.285 0.9165 0.1635
27 6 0.2972 0.8333 0.6611
28 7 0.1127 0.9119 0.1621
29 8 0.1254 0.8259 0.6646
30 10 0.1163 0.7417 0.1912
31 11 0.3472 0.8753 0.4083
32 12 0.3478 0.8789 0.9123
33 5 0.715 0.0835 0.8365
34 6 0.7028 0.1667 0.3389
35 7 0.8873 0.0881 0.8379
36 8 0.8746 0.1741 0.3354
37 10 0.8837 0.2583 0.8088
38 11 0.6528 0.1247 0.5917
39 12 0.6522 0.1211 0.0877
40 1 0.5 0.5883 0.0
41 2 0.5 0.68 0.5
42 3 0.5 0.5 0.5
43 4 0.5 0.7588 0.0
44 5 0.215 0.5835 0.6635
45 6 0.2028 0.6667 0.1611
46 7 0.3873 0.5881 0.6621
47 8 0.3746 0.6741 0.1646
48 9 0.3861 0.5 0.1613
49 10 0.3837 0.7583 0.6912
50 11 0.1528 0.6247 0.9083
51 12 0.1522 0.6211 0.4123
52 13 0.1603 0.5 0.6722
53 1 0.5 0.4117 0.0
54 2 0.5 0.32 0.5
55 4 0.5 0.2412 0.0
56 5 0.785 0.4165 0.3365
57 6 0.7972 0.3333 0.8389
58 7 0.6127 0.4119 0.3379
59 8 0.6254 0.3259 0.8354
60 9 0.6139 0.5 0.8387
61 10 0.6163 0.2417 0.3088
62 11 0.8472 0.3753 0.0917
63 12 0.8478 0.3789 0.5877
64 13 0.8397 0.5 0.3278
65 5 0.215 0.4165 0.6635
66 6 0.2028 0.3333 0.1611
67 7 0.3873 0.4119 0.6621
68 8 0.3746 0.3259 0.1646
69 10 0.3837 0.2417 0.6912
70 11 0.1528 0.3753 0.9083
71 12 0.1522 0.3789 0.4123
72 5 0.785 0.5835 0.3365
73 6 0.7972 0.6667 0.8389
74 7 0.6127 0.5881 0.3379
75 8 0.6254 0.6741 0.8354
76 10 0.6163 0.7583 0.3088
77 11 0.8472 0.6247 0.0917
78 12 0.8478 0.6211 0.5877
X-ray density (g/cm cub.) = 3.58
MU (1/cm) = 489.895 Mass attenuation coefficient (cm**2/g) = 136.731
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.0937 7
2.1562 8
2.1268 9
2.1268 9
2.0937 7
2.1562 8
2 Fe ,Mg 2.592 6
2.1736 7
2.148 8
2.0763 10
2.1736 7
2.148 8
2.0763 10
3 Fe 2.592 6
2.1201 7
2.1031 9
2.1201 7
2.1031 9
2.1201 7
2.1201 7
4 Fe ,Mn 2.724 6
2.1415 8
1.9795 10
2.1415 8
1.9795 10
2.6717 12
2.6717 12
5 Si 2.1 4
1.6198 7
1.6212 11
1.6216 12
1.6196 13
6 Si 2.1 4
1.6187 8
1.626 11
1.6531 12
1.6084 10
7 O 3.264 12
3.1199 8
3.0969 8
3.1223 9
3.1296 9
3.1335 10
2.6519 11
2.6502 12
2.6774 13
2.8357 9
3.2398 7
2.7355 7
2.8906 8
8 O 3.264 11
3.0969 7
3.1199 7
3.203 9
3.2144 10
2.9684 10
2.6531 11
2.6577 12
2.8906 7
2.9398 8
2.8531 10
2.7286 10
9 O 3.264 9
3.1296 7
3.1223 7
3.203 8
2.8357 7
2.7475 9
3.1296 7
3.1223 7
3.203 8
2.8357 7
10 O 3.264 8
3.1335 7
2.9684 8
3.2144 8
2.8531 8
2.9915 10
2.7286 8
2.6521 11
2.5354 12
11 O 3.264 7
2.6519 7
2.6531 8
2.6957 12
2.6529 12
2.6184 13
3.0319 11
2.6521 10
12 O 3.264 7
2.6502 7
2.6577 8
2.6529 11
2.6957 11
2.6258 13
3.0077 12
2.5354 10
13 O 3.264 6
2.6774 7
2.6184 11
2.6258 12
2.6774 7
2.6184 11
2.6258 12
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 2 0 4.806 9.612 0.054 281.92 2 68.8 313.4
2 1 1 0 5.286 10.572 0.06 232.68 4 140.9 2168.1
3 0 1 1 8.628 17.257 0.097 85.92 4 39.7 63.7
4 1 3 0 8.632 17.264 0.097 85.84 4 9.3 3.4
5 2 0 0 9.445 18.89 0.107 71.35 2 107.4 193.2
6 1 0 1 9.543 19.086 0.108 69.84 4 43.5 61.9
7 0 4 0 9.647 19.293 0.109 68.3 2 90.3 130.7
8 1 1 1 9.846 19.692 0.111 65.48 8 45.2 125.9
9 2 2 0 10.617 21.235 0.12 56.01 4 71.9 135.9
10 1 2 1 10.705 21.41 0.121 55.06 8 11.3 6.6
11 0 3 1 11.021 22.043 0.124 51.82 4 33.4 27.1
12 1 3 1 12.007 24.015 0.135 43.33 8 111.0 501.3
13 2 0 1 12.613 25.225 0.142 39.08 4 13.4 3.3
14 2 1 1 12.847 25.693 0.144 37.59 8 10.2 3.7
15 1 5 0 13.001 26.001 0.146 36.66 4 39.7 27.1
16 2 2 1 13.526 27.052 0.152 33.72 8 79.2 198.7
17 2 4 0 13.564 27.129 0.152 33.51 4 158.6 396.0
18 1 4 1 13.634 27.268 0.153 33.15 8 14.5 6.5
19 3 1 0 14.459 28.918 0.162 29.26 4 256.8 905.9
20 0 6 0 14.558 29.116 0.163 28.83 2 51.6 18.0
21 2 3 1 14.593 29.185 0.164 28.69 8 85.8 198.4
22 0 5 1 14.727 29.455 0.165 28.13 4 87.1 100.2
23 1 5 1 15.494 30.987 0.173 25.23 8 140.9 470.1
24 2 4 1 15.977 31.954 0.179 23.61 8 9.5 2.0
25 3 3 0 16.044 32.088 0.179 23.4 4 112.0 137.9
26 3 0 1 16.571 33.142 0.185 21.82 4 34.7 12.3
27 0 0 2 16.745 33.49 0.187 21.33 2 131.1 86.0
28 3 1 1 16.754 33.508 0.187 21.31 8 25.8 13.3
29 3 2 1 17.293 34.586 0.193 19.89 8 72.8 99.1
30 1 0 2 17.432 34.864 0.194 19.54 4 173.3 275.7
31 0 2 2 17.461 34.921 0.195 19.47 4 35.5 11.5
32 2 6 0 17.468 34.937 0.195 19.45 4 51.6 24.3
33 1 6 1 17.524 35.048 0.195 19.32 8 210.0 800.1
34 1 1 2 17.607 35.214 0.196 19.12 8 104.7 197.0
35 2 5 1 17.613 35.226 0.196 19.11 8 226.5 920.4
36 1 7 0 17.729 35.457 0.198 18.83 4 25.5 5.8
37 1 2 2 18.124 36.247 0.202 17.95 8 2.6 0.1
38 3 3 1 18.16 36.32 0.202 17.87 8 26.4 11.7
39 3 5 0 18.857 37.714 0.21 16.45 4 50.0 19.3
40 1 3 2 18.957 37.915 0.211 16.25 8 12.0 2.2
41 0 7 1 19.07 38.14 0.212 16.04 4 16.7 2.1
42 4 0 0 19.159 38.319 0.213 15.88 2 105.8 41.7
43 3 4 1 19.317 38.633 0.215 15.59 8 9.5 1.3
44 2 0 2 19.364 38.728 0.215 15.51 4 293.8 628.7
45 2 6 1 19.448 38.897 0.216 15.36 8 79.3 90.7
46 0 4 2 19.469 38.939 0.216 15.32 4 14.5 1.5
47 2 1 2 19.524 39.049 0.217 15.23 8 56.5 45.6
48 0 8 0 19.581 39.162 0.218 15.13 2 56.5 11.3
49 1 7 1 19.686 39.372 0.219 14.95 8 90.9 116.1
50 4 2 0 19.799 39.598 0.22 14.76 4 25.3 4.4
51 2 2 2 19.998 39.997 0.222 14.44 8 39.3 21.0
52 1 4 2 20.075 40.15 0.223 14.32 8 16.3 3.6
53 3 5 1 20.724 41.447 0.23 13.34 8 0.1 0.0
54 2 3 2 20.768 41.537 0.23 13.27 8 39.1 19.0
55 4 0 1 21.003 42.007 0.233 12.94 4 19.0 2.2
56 4 1 1 21.153 42.306 0.234 12.74 8 18.7 4.2
57 1 5 2 21.441 42.881 0.237 12.36 8 26.8 8.3
58 2 7 1 21.446 42.891 0.237 12.35 8 94.8 104.2
59 4 2 1 21.598 43.195 0.239 12.16 8 56.7 36.7
60 4 4 0 21.623 43.247 0.239 12.12 4 35.5 7.2
61 2 4 2 21.809 43.618 0.241 11.89 8 30.3 10.2
62 2 8 0 21.911 43.821 0.242 11.77 4 47.7 12.6
63 1 8 1 21.957 43.913 0.243 11.71 8 67.7 50.4
64 3 0 2 22.268 44.537 0.246 11.35 4 19.5 2.0
65 4 3 1 22.322 44.645 0.247 11.29 8 37.0 14.5
66 3 6 1 22.344 44.687 0.247 11.26 8 208.9 461.4
67 3 1 2 22.411 44.823 0.247 11.19 8 114.1 136.7
68 0 6 2 22.479 44.959 0.248 11.11 4 30.6 4.9
69 3 7 0 22.511 45.022 0.249 11.07 4 49.8 12.9
70 1 9 0 22.697 45.394 0.25 10.87 4 64.0 20.9
71 3 2 2 22.836 45.672 0.252 10.72 8 10.0 1.0
72 1 6 2 23.02 46.04 0.254 10.53 8 12.5 1.5
73 2 5 2 23.091 46.182 0.255 10.46 8 52.0 26.5
74 4 4 1 23.307 46.614 0.257 10.24 8 12.6 1.5
75 3 3 2 23.531 47.062 0.259 10.02 8 36.9 12.8
76 2 8 1 23.578 47.156 0.26 9.97 8 11.5 1.2
77 0 9 1 23.805 47.609 0.262 9.76 4 54.0 13.4
78 3 7 1 24.146 48.293 0.266 9.45 8 34.8 10.8
79 1 9 1 24.323 48.645 0.267 9.29 8 73.0 46.5
80 5 1 0 24.354 48.709 0.268 9.27 4 39.3 6.7
81 4 6 0 24.418 48.836 0.268 9.21 4 45.4 8.9
82 3 4 2 24.478 48.956 0.269 9.16 8 69.9 42.0
83 4 5 1 24.528 49.056 0.269 9.12 8 170.3 248.3
84 2 6 2 24.587 49.174 0.27 9.07 8 30.2 7.8
85 0 10 0 24.767 49.534 0.272 8.92 2 82.6 14.3
86 1 7 2 24.785 49.57 0.272 8.9 8 8.4 0.6
87 5 3 0 25.408 50.817 0.279 8.41 4 48.0 9.1
88 3 5 2 25.657 51.314 0.281 8.23 8 17.5 2.4
89 0 1 3 25.734 51.469 0.282 8.17 4 26.5 2.7
90 5 0 1 25.773 51.546 0.282 8.15 4 35.1 4.7
91 2 9 1 25.83 51.66 0.283 8.1 8 36.7 10.3
92 4 0 2 25.895 51.79 0.283 8.06 4 228.5 197.6
93 5 1 1 25.901 51.802 0.284 8.05 8 12.9 1.3
94 4 6 1 25.962 51.924 0.284 8.01 8 102.4 78.9
95 4 1 2 26.023 52.045 0.285 7.97 8 62.4 29.1
96 1 0 3 26.097 52.194 0.286 7.92 4 39.5 5.8
97 3 8 1 26.108 52.217 0.286 7.91 8 61.4 28.0
98 1 1 3 26.224 52.448 0.287 7.83 8 1.1 0.0
99 0 8 2 26.229 52.458 0.287 7.83 4 47.8 8.4
100 2 7 2 26.273 52.545 0.287 7.8 8 33.9 8.4
101 5 2 1 26.283 52.566 0.287 7.79 8 6.5 0.3
102 4 2 2 26.403 52.806 0.289 7.71 8 58.3 24.6
103 1 2 3 26.603 53.206 0.291 7.58 8 58.7 24.5
104 1 8 2 26.713 53.425 0.292 7.51 8 89.8 56.9
105 2 10 0 26.739 53.477 0.292 7.49 4 33.5 3.9
106 0 3 3 26.749 53.497 0.292 7.48 4 131.5 60.8
107 3 9 0 26.761 53.522 0.292 7.48 4 3.0 0.0
108 1 10 1 26.778 53.556 0.292 7.47 8 34.4 8.3
109 5 3 1 26.911 53.822 0.294 7.38 8 21.7 3.3
110 4 3 2 27.029 54.058 0.295 7.31 8 16.6 1.9
111 3 6 2 27.048 54.095 0.295 7.3 8 2.2 0.0
112 1 3 3 27.226 54.451 0.297 7.19 8 2.0 0.0
113 5 5 0 27.428 54.855 0.299 7.07 4 27.3 2.5
114 2 0 3 27.534 55.069 0.3 7.01 4 10.3 0.3
115 4 7 1 27.587 55.175 0.301 6.98 8 39.6 10.3
116 2 1 3 27.657 55.314 0.301 6.94 8 35.5 8.2
117 5 4 1 27.774 55.547 0.302 6.87 8 3.4 0.1
118 4 4 2 27.889 55.779 0.304 6.81 8 94.4 57.0
119 1 11 0 27.909 55.818 0.304 6.8 4 234.5 175.4
120 4 8 0 27.974 55.949 0.304 6.76 4 85.1 23.0
121 2 2 3 28.022 56.044 0.305 6.73 8 13.6 1.2
122 1 4 3 28.082 56.163 0.306 6.7 8 8.0 0.4
123 2 8 2 28.128 56.256 0.306 6.68 8 21.0 2.8
124 2 10 1 28.191 56.383 0.307 6.64 8 52.2 17.0
125 3 9 1 28.213 56.426 0.307 6.63 8 32.1 6.4
126 2 3 3 28.624 57.248 0.311 6.42 8 31.2 5.9
127 3 7 2 28.631 57.261 0.311 6.41 8 21.1 2.7
128 0 5 3 28.702 57.405 0.312 6.38 4 286.2 245.2
129 1 9 2 28.787 57.574 0.313 6.33 8 29.7 5.3
130 5 5 1 28.857 57.714 0.313 6.3 8 6.0 0.2
131 0 11 1 28.869 57.738 0.313 6.29 4 19.9 1.2
132 4 5 2 28.97 57.94 0.314 6.24 8 17.6 1.8
133 1 5 3 29.158 58.316 0.316 6.15 8 7.0 0.3
134 1 11 1 29.323 58.646 0.318 6.08 8 30.3 5.3
135 4 8 1 29.387 58.773 0.319 6.05 8 14.4 1.2
136 2 4 3 29.453 58.907 0.319 6.02 8 14.4 1.2
137 6 0 0 29.492 58.983 0.32 6.0 2 229.0 73.9
138 3 0 3 29.825 59.651 0.323 5.85 4 27.8 2.1
139 3 1 3 29.942 59.883 0.324 5.8 8 0.2 0.0
140 6 2 0 29.959 59.917 0.324 5.79 4 39.1 4.1
141 5 0 2 30.087 60.174 0.325 5.74 4 26.6 1.9
142 2 9 2 30.138 60.277 0.326 5.71 8 45.3 11.0
143 5 6 1 30.148 60.295 0.326 5.71 8 281.7 425.5
144 0 12 0 30.18 60.359 0.326 5.7 2 325.1 141.3
145 5 1 2 30.203 60.405 0.327 5.69 8 152.3 123.9
146 4 6 2 30.258 60.515 0.327 5.66 8 27.7 4.1
147 5 7 0 30.284 60.567 0.327 5.65 4 8.1 0.2
148 3 2 3 30.289 60.578 0.327 5.65 8 38.2 7.7
149 3 8 2 30.39 60.78 0.328 5.61 8 32.4 5.5
150 1 6 3 30.44 60.881 0.329 5.59 8 225.5 266.9
151 3 10 1 30.451 60.901 0.329 5.58 8 86.5 39.2
152 2 5 3 30.499 60.998 0.329 5.56 8 77.3 31.2
153 5 2 2 30.548 61.097 0.33 5.54 8 10.2 0.5
154 0 10 2 30.56 61.12 0.33 5.54 4 37.2 3.6
155 2 11 1 30.66 61.319 0.331 5.5 8 17.7 1.6
156 6 0 1 30.86 61.72 0.333 5.42 4 7.9 0.2
157 3 3 3 30.863 61.726 0.333 5.42 8 6.6 0.2
158 6 1 1 30.974 61.948 0.334 5.38 8 0.2 0.0
159 1 10 2 30.999 61.997 0.334 5.37 8 13.4 0.9
160 5 3 2 31.12 62.239 0.335 5.32 8 46.5 10.8
161 6 2 1 31.315 62.63 0.337 5.25 8 37.2 6.8
162 6 4 0 31.335 62.669 0.338 5.24 4 1.7 0.0
163 4 9 1 31.347 62.693 0.338 5.24 8 0.7 0.0
164 0 7 3 31.485 62.97 0.339 5.19 4 146.1 52.0
165 3 11 0 31.496 62.992 0.339 5.18 4 157.3 60.2
166 5 7 1 31.631 63.263 0.34 5.13 8 25.5 3.1
167 3 4 3 31.657 63.313 0.341 5.13 8 17.0 1.4
168 4 7 2 31.738 63.477 0.341 5.1 8 22.2 2.4
169 2 6 3 31.749 63.498 0.342 5.09 8 9.6 0.4
170 6 3 1 31.878 63.756 0.343 5.05 8 11.2 0.6
171 5 4 2 31.909 63.819 0.343 5.04 8 73.5 25.6
172 1 7 3 31.916 63.833 0.343 5.03 8 9.4 0.4
173 2 12 0 31.926 63.851 0.343 5.03 4 60.9 8.8
174 1 12 1 31.961 63.922 0.344 5.02 8 34.8 5.7
175 4 10 0 32.153 64.305 0.345 4.95 4 26.0 1.6
176 2 10 2 32.294 64.588 0.347 4.91 8 42.1 8.2
177 3 9 2 32.314 64.628 0.347 4.9 8 0.3 0.0
178 6 4 1 32.658 65.315 0.35 4.79 8 4.7 0.1
179 3 5 3 32.661 65.322 0.35 4.79 8 3.9 0.1
180 3 11 1 32.816 65.631 0.352 4.74 8 12.5 0.7
181 4 0 3 32.865 65.731 0.352 4.73 4 5.7 0.1
182 5 5 2 32.909 65.819 0.353 4.71 8 3.0 0.0
183 4 1 3 32.976 65.951 0.353 4.69 8 12.9 0.7
184 2 7 3 33.192 66.384 0.355 4.63 8 20.2 1.8
185 2 12 1 33.236 66.472 0.356 4.61 8 7.6 0.3
186 5 8 1 33.297 66.594 0.356 4.6 8 61.7 16.4
187 4 2 3 33.305 66.61 0.356 4.59 8 4.9 0.1
188 1 11 2 33.342 66.684 0.357 4.58 8 149.5 96.2
189 4 8 2 33.401 66.802 0.357 4.57 8 21.0 1.9
190 1 13 0 33.419 66.837 0.358 4.56 4 1.1 0.0
191 4 10 1 33.458 66.917 0.358 4.55 8 47.3 9.5
192 6 6 0 33.556 67.112 0.359 4.52 4 21.9 1.0
193 1 8 3 33.574 67.148 0.359 4.52 8 59.6 15.1
194 6 5 1 33.646 67.292 0.36 4.5 8 145.9 89.8
195 4 3 3 33.851 67.701 0.362 4.44 8 26.1 2.8
196 5 9 0 33.861 67.723 0.362 4.44 4 38.6 3.1
197 3 6 3 33.867 67.734 0.362 4.43 8 189.3 149.2
198 5 6 2 34.111 68.222 0.364 4.37 8 35.3 5.1
199 0 13 1 34.287 68.574 0.366 4.32 4 10.7 0.2
200 3 10 2 34.395 68.789 0.367 4.29 8 5.9 0.1
201 2 11 2 34.591 69.181 0.369 4.25 8 7.2 0.2
202 4 4 3 34.608 69.215 0.369 4.24 8 3.0 0.0
203 1 13 1 34.7 69.4 0.37 4.22 8 21.8 1.9
204 6 0 2 34.779 69.558 0.37 4.2 4 199.2 78.2
205 2 8 3 34.819 69.638 0.371 4.19 8 11.2 0.5
206 6 6 1 34.835 69.67 0.371 4.18 8 167.1 109.8
207 6 1 2 34.886 69.772 0.371 4.17 8 117.0 53.6
208 0 9 3 34.996 69.993 0.372 4.15 4 77.2 11.6
209 5 9 1 35.135 70.271 0.374 4.11 8 10.6 0.4
210 7 1 0 35.161 70.321 0.374 4.11 4 138.9 37.2
211 0 0 4 35.186 70.372 0.374 4.1 2 38.5 1.4
212 6 2 2 35.207 70.414 0.374 4.1 8 33.2 4.3
213 4 9 2 35.237 70.474 0.375 4.09 8 57.6 12.7
214 3 7 3 35.266 70.532 0.375 4.08 8 0.7 0.0
215 3 12 1 35.309 70.617 0.375 4.07 8 31.4 3.8
216 1 9 3 35.406 70.812 0.376 4.05 8 6.0 0.1
217 0 12 2 35.41 70.82 0.376 4.05 4 19.1 0.7
218 5 7 2 35.506 71.011 0.377 4.03 8 0.5 0.0
219 4 5 3 35.57 71.139 0.378 4.01 8 120.5 54.7
220 1 0 4 35.595 71.189 0.378 4.01 4 175.0 57.6
221 0 2 4 35.612 71.224 0.378 4.0 4 43.8 3.6
222 1 1 4 35.701 71.401 0.379 3.98 8 91.4 31.2
223 4 11 1 35.718 71.436 0.379 3.98 8 2.1 0.0
224 6 3 2 35.739 71.478 0.379 3.98 8 77.0 22.1
225 1 12 2 35.817 71.635 0.38 3.96 8 179.6 119.9
226 0 14 0 35.909 71.818 0.381 3.94 2 75.5 5.3
227 2 13 1 35.927 71.853 0.381 3.93 8 11.6 0.5
228 7 3 0 36.011 72.021 0.382 3.92 4 61.9 7.1
229 1 2 4 36.018 72.037 0.382 3.92 8 0.6 0.0
230 6 7 1 36.217 72.435 0.384 3.87 8 51.2 9.5
231 7 0 1 36.309 72.618 0.384 3.86 4 27.9 1.4
232 7 1 1 36.414 72.828 0.385 3.83 8 5.5 0.1
233 6 4 2 36.478 72.956 0.386 3.82 8 13.4 0.6
234 1 3 4 36.545 73.091 0.387 3.81 8 33.2 3.9
235 6 8 0 36.552 73.103 0.387 3.81 4 49.5 4.4
236 5 0 3 36.576 73.151 0.387 3.8 4 12.8 0.3
237 2 9 3 36.622 73.245 0.387 3.79 8 51.3 9.4
238 3 11 2 36.628 73.256 0.387 3.79 8 125.4 56.0
239 5 1 3 36.681 73.361 0.388 3.78 8 2.1 0.0
240 3 13 0 36.702 73.403 0.388 3.78 4 21.2 0.8
241 7 2 1 36.729 73.459 0.388 3.77 8 43.1 6.6
242 4 6 3 36.731 73.461 0.388 3.77 8 6.0 0.1
243 2 0 4 36.809 73.617 0.389 3.76 4 232.5 95.3
244 3 8 3 36.851 73.702 0.389 3.75 8 49.2 8.5
245 0 4 4 36.877 73.755 0.39 3.74 4 95.5 16.0
246 4 12 0 36.896 73.791 0.39 3.74 4 146.0 37.4
247 2 1 4 36.913 73.827 0.39 3.74 8 29.4 3.0
248 5 2 3 36.995 73.99 0.391 3.72 8 66.0 15.2
249 2 12 2 37.028 74.057 0.391 3.71 8 179.8 112.8
250 5 8 2 37.087 74.173 0.391 3.7 8 19.0 1.3
251 5 10 1 37.141 74.283 0.392 3.69 8 15.4 0.8
252 2 2 4 37.227 74.454 0.393 3.68 8 30.9 3.3
253 4 10 2 37.241 74.481 0.393 3.68 8 30.0 3.1
254 7 3 1 37.252 74.505 0.393 3.67 8 23.4 1.9
255 1 4 4 37.278 74.557 0.393 3.67 8 54.0 10.0
256 1 10 3 37.406 74.812 0.394 3.65 8 69.8 16.7
257 6 5 2 37.42 74.84 0.394 3.64 8 31.8 3.5
258 5 3 3 37.517 75.034 0.395 3.63 8 3.5 0.0
259 2 14 0 37.519 75.038 0.395 3.63 4 54.7 5.1
260 1 14 1 37.552 75.104 0.396 3.62 8 1.5 0.0
261 7 5 0 37.687 75.374 0.397 3.6 4 9.1 0.1
262 2 3 4 37.748 75.495 0.397 3.59 8 28.5 2.7
263 6 8 1 37.787 75.573 0.398 3.58 8 16.8 0.9
264 3 13 1 37.935 75.87 0.399 3.55 8 23.2 1.8
265 7 4 1 37.98 75.961 0.399 3.55 8 4.1 0.1
266 4 7 3 38.085 76.171 0.4 3.53 8 60.7 12.2
267 5 11 0 38.095 76.191 0.4 3.53 4 16.2 0.4
268 4 12 1 38.127 76.253 0.401 3.52 8 5.9 0.1
269 1 5 4 38.213 76.426 0.402 3.51 8 7.2 0.2
270 5 4 3 38.243 76.486 0.402 3.5 8 4.2 0.1
271 1 13 2 38.43 76.86 0.403 3.47 8 16.4 0.9
272 2 4 4 38.472 76.945 0.404 3.47 8 4.7 0.1
273 6 6 2 38.56 77.12 0.405 3.45 8 49.7 8.0
274 2 10 3 38.599 77.197 0.405 3.45 8 11.3 0.4
275 3 9 3 38.617 77.234 0.405 3.45 8 1.0 0.0
276 2 14 1 38.743 77.486 0.406 3.43 8 38.4 4.8
277 3 0 4 38.8 77.6 0.407 3.42 4 2.1 0.0
278 5 9 2 38.849 77.698 0.407 3.41 8 47.5 7.2
279 3 1 4 38.903 77.806 0.408 3.4 8 41.1 5.4
280 7 5 1 38.91 77.819 0.408 3.4 8 34.7 3.8
281 0 6 4 38.952 77.904 0.408 3.4 4 35.3 2.0
282 3 12 2 39.016 78.032 0.409 3.39 8 15.2 0.7
283 5 5 3 39.17 78.341 0.41 3.37 8 1.4 0.0
284 0 11 3 39.181 78.361 0.41 3.36 4 36.4 2.1
285 3 2 4 39.211 78.423 0.41 3.36 8 13.2 0.6
286 5 11 1 39.314 78.628 0.411 3.35 8 13.6 0.6
287 1 15 0 39.325 78.651 0.411 3.34 4 18.9 0.6
288 1 6 4 39.346 78.692 0.412 3.34 8 3.6 0.0
289 2 5 4 39.398 78.796 0.412 3.33 8 17.7 1.0
290 4 11 2 39.411 78.823 0.412 3.33 8 84.9 22.6
291 6 9 1 39.539 79.078 0.413 3.31 8 12.2 0.5
292 1 11 3 39.574 79.148 0.414 3.31 8 7.6 0.2
293 2 13 2 39.613 79.226 0.414 3.3 8 55.3 9.5
294 4 8 3 39.629 79.258 0.414 3.3 8 0.9 0.0
295 3 3 4 39.724 79.447 0.415 3.29 8 15.5 0.7
296 6 7 2 39.894 79.789 0.416 3.27 8 2.6 0.0
297 7 0 2 39.983 79.966 0.417 3.26 4 39.2 2.3
298 7 6 1 40.037 80.073 0.418 3.25 8 78.1 18.6
299 7 1 2 40.085 80.17 0.418 3.24 8 31.8 3.1
300 0 15 1 40.143 80.285 0.418 3.24 4 27.8 1.2
301 7 7 0 40.157 80.313 0.419 3.24 4 45.0 3.1
302 6 10 0 40.272 80.544 0.42 3.22 4 28.6 1.2
303 5 6 3 40.295 80.591 0.42 3.22 8 8.6 0.2
304 7 2 2 40.391 80.782 0.421 3.21 8 4.3 0.1
305 3 4 4 40.438 80.876 0.421 3.2 8 34.0 3.5
306 2 6 4 40.521 81.043 0.422 3.19 8 21.7 1.4
307 1 15 1 40.533 81.067 0.422 3.19 8 60.0 10.8
308 3 10 3 40.563 81.125 0.422 3.19 8 13.5 0.5
309 1 7 4 40.673 81.347 0.423 3.17 8 14.1 0.6
310 4 13 1 40.69 81.38 0.423 3.17 8 11.7 0.4
311 3 14 1 40.705 81.41 0.423 3.17 8 22.6 1.5
312 2 11 3 40.748 81.496 0.424 3.17 8 19.7 1.2
313 5 10 2 40.792 81.583 0.424 3.16 8 3.1 0.0
314 0 14 2 40.802 81.604 0.424 3.16 4 42.3 2.7
315 7 3 2 40.9 81.799 0.425 3.15 8 21.8 1.4
316 6 0 3 40.926 81.852 0.425 3.15 4 10.4 0.2
317 8 0 0 41.026 82.051 0.426 3.14 2 171.7 21.7
318 6 1 3 41.027 82.055 0.426 3.14 8 17.7 0.9
319 1 14 2 41.191 82.383 0.427 3.12 8 0.2 0.0
320 6 2 3 41.332 82.663 0.429 3.1 8 13.3 0.5
321 3 5 4 41.352 82.705 0.429 3.1 8 24.9 1.8
322 7 7 1 41.359 82.718 0.429 3.1 8 13.8 0.6
323 4 9 3 41.36 82.72 0.429 3.1 8 10.3 0.3
324 6 8 2 41.42 82.841 0.429 3.09 8 20.7 1.2
325 8 2 0 41.431 82.863 0.43 3.09 4 28.9 1.2
326 6 10 1 41.474 82.947 0.43 3.09 8 32.9 3.1
327 4 0 4 41.54 83.08 0.43 3.08 4 165.5 39.6
328 3 13 2 41.565 83.13 0.431 3.08 8 42.9 5.3
329 7 4 2 41.61 83.219 0.431 3.08 8 3.0 0.0
330 5 7 3 41.616 83.232 0.431 3.07 8 0.6 0.0
331 4 1 4 41.641 83.283 0.431 3.07 8 74.0 15.8
332 5 12 1 41.656 83.313 0.431 3.07 8 30.0 2.6
333 2 15 1 41.701 83.403 0.432 3.07 8 26.6 2.0
334 4 12 2 41.753 83.505 0.432 3.06 8 140.1 56.4
335 0 8 4 41.806 83.611 0.433 3.06 4 18.9 0.5
336 6 3 3 41.838 83.676 0.433 3.05 8 47.6 6.5
337 2 7 4 41.84 83.681 0.433 3.05 8 14.7 0.6
338 1 12 3 41.913 83.826 0.434 3.05 8 31.3 2.8
339 4 2 4 41.945 83.89 0.434 3.04 8 22.1 1.4
340 0 16 0 42.089 84.178 0.435 3.03 2 44.2 1.4
341 1 8 4 42.194 84.387 0.436 3.02 8 5.4 0.1
342 8 0 1 42.223 84.446 0.436 3.02 4 8.5 0.1
343 4 14 0 42.228 84.456 0.436 3.02 4 20.2 0.6
344 8 1 1 42.324 84.648 0.437 3.01 8 8.3 0.2
345 2 14 2 42.356 84.712 0.437 3.01 8 41.5 4.9
346 3 15 0 42.445 84.89 0.438 3.0 4 9.0 0.1
347 4 3 4 42.45 84.9 0.438 3.0 8 41.1 4.8
348 3 6 4 42.465 84.93 0.438 3.0 8 1.6 0.0
349 7 5 2 42.519 85.039 0.439 2.99 8 27.7 2.2
350 6 4 3 42.545 85.091 0.439 2.99 8 8.0 0.2
351 8 2 1 42.627 85.254 0.44 2.98 8 37.1 3.9
352 8 4 0 42.644 85.289 0.44 2.98 4 51.0 3.6
353 3 11 3 42.69 85.379 0.44 2.98 8 5.0 0.1
354 7 8 1 42.875 85.75 0.442 2.96 8 41.2 4.7
355 5 11 2 42.917 85.833 0.442 2.96 8 183.2 93.3
356 5 13 0 42.987 85.974 0.443 2.96 4 76.4 8.1
357 2 12 3 43.075 86.149 0.443 2.95 8 3.0 0.0
358 5 8 3 43.131 86.261 0.444 2.94 8 27.2 2.0
359 8 3 1 43.131 86.262 0.444 2.94 8 37.0 3.8
360 6 9 2 43.138 86.276 0.444 2.94 8 42.2 4.9
361 4 4 4 43.156 86.312 0.444 2.94 8 21.1 1.2
362 4 10 3 43.279 86.559 0.445 2.93 8 2.1 0.0
363 2 8 4 43.354 86.709 0.446 2.93 8 10.0 0.3
364 7 9 0 43.396 86.793 0.446 2.92 4 104.5 15.0
365 4 14 1 43.42 86.841 0.446 2.92 8 39.9 4.4
366 6 5 3 43.453 86.905 0.446 2.92 8 76.3 16.0
367 6 11 1 43.594 87.187 0.448 2.91 8 7.1 0.1
368 7 6 2 43.628 87.256 0.448 2.91 8 37.5 3.8
369 2 16 0 43.636 87.272 0.448 2.91 4 70.2 6.7
370 3 15 1 43.637 87.273 0.448 2.91 8 19.1 1.0
371 1 16 1 43.668 87.336 0.448 2.91 8 50.5 6.9
372 3 7 4 43.775 87.55 0.449 2.9 8 11.4 0.4
373 8 4 1 43.836 87.672 0.45 2.89 8 10.6 0.3
374 1 9 4 43.907 87.814 0.45 2.89 8 14.7 0.6
375 0 13 3 44.047 88.094 0.451 2.88 4 21.8 0.6
376 4 5 4 44.062 88.124 0.451 2.88 8 19.7 1.0
377 1 15 2 44.118 88.237 0.452 2.88 8 7.3 0.1
378 5 13 1 44.178 88.355 0.452 2.87 8 10.5 0.3
379 4 13 2 44.273 88.547 0.453 2.87 8 76.0 15.6
380 3 14 2 44.288 88.577 0.453 2.87 8 10.1 0.3
381 1 13 3 44.433 88.866 0.454 2.86 8 4.7 0.1
382 6 6 3 44.559 89.119 0.455 2.85 8 4.8 0.1
383 7 9 1 44.586 89.173 0.456 2.85 8 25.9 1.8
384 8 6 0 44.658 89.316 0.456 2.85 4 54.5 4.0
385 6 12 0 44.718 89.436 0.457 2.84 4 72.0 6.9
386 8 5 1 44.741 89.482 0.457 2.84 8 94.8 24.0
387 2 16 1 44.826 89.652 0.458 2.84 8 23.5 1.5
388 5 9 3 44.841 89.683 0.458 2.84 8 1.1 0.0
389 7 7 2 44.936 89.872 0.458 2.83 8 5.4 0.1
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 2 0 4.806 9.612 9.1935 313.4 14.5 14.5 5.6
2 1 1 0 5.286 10.572 8.36121 2168.1 100.0 100.0 5.6
3 0 1 1 8.628 17.257 5.13431 67.2 3.1 3.1 5.6
4 2 0 0 9.445 18.89 4.694 193.2 8.9 8.9 5.6
5 1 0 1 9.543 19.086 4.64624 61.9 2.9 2.8 5.6
6 0 4 0 9.647 19.293 4.59675 130.7 6.0 6.0 5.6
7 1 1 1 9.846 19.692 4.50465 125.9 5.8 5.8 5.6
8 2 2 0 10.617 21.235 4.1806 135.9 6.3 6.2 5.6
9 0 3 1 11.021 22.043 4.0292 27.1 1.3 1.2 5.6
10 1 3 1 12.007 24.015 3.70259 501.3 23.1 22.9 5.6
11 1 5 0 13.001 26.001 3.42408 27.1 1.2 1.2 5.6
12 2 2 1 13.526 27.052 3.29344 198.7 9.2 9.1 5.6
13 2 4 0 13.564 27.129 3.28424 396.0 18.3 18.1 5.6
14 3 1 0 14.459 28.918 3.08497 905.9 41.8 41.3 5.6
15 2 3 1 14.593 29.185 3.05734 198.4 9.1 9.0 5.6
16 0 5 1 14.727 29.455 3.02998 100.2 4.6 4.6 5.6
17 1 5 1 15.494 30.987 2.88351 470.1 21.7 21.4 5.6
18 3 3 0 16.044 32.088 2.78707 137.9 6.4 6.3 5.6
19 0 0 2 16.745 33.49 2.6735 99.3 4.6 4.5 5.7
20 3 2 1 17.293 34.586 2.59129 99.1 4.6 4.5 5.7
21 1 0 2 17.432 34.864 2.57127 275.7 12.7 12.5 5.7
22 2 6 0 17.468 34.937 2.56606 35.8 1.7 1.6 5.7
23 1 6 1 17.524 35.048 2.55817 800.1 36.9 36.3 5.7
24 2 5 1 17.613 35.226 2.54569 1117.4 51.5 50.6 5.7
25 4 0 0 19.159 38.319 2.347 41.7 1.9 1.9 5.7
26 2 0 2 19.364 38.728 2.32312 628.7 29.0 28.4 5.7
27 2 6 1 19.448 38.897 2.31345 92.2 4.3 4.2 5.7
28 2 1 2 19.524 39.049 2.3048 45.6 2.1 2.1 5.7
29 1 7 1 19.686 39.372 2.2866 116.1 5.4 5.2 5.7
30 2 7 1 21.446 42.891 2.10679 112.6 5.2 5.1 5.7
31 4 2 1 21.598 43.195 2.09267 43.9 2.0 2.0 5.7
32 1 8 1 21.957 43.913 2.0601 50.4 2.3 2.3 5.7
33 3 6 1 22.344 44.687 2.0262 475.9 22.0 21.4 5.7
34 3 1 2 22.411 44.823 2.02038 136.7 6.3 6.1 5.7
35 2 5 2 23.091 46.182 1.96404 26.5 1.2 1.2 5.7
36 1 9 1 24.323 48.645 1.87019 46.5 2.1 2.1 5.7
37 3 4 2 24.478 48.956 1.85904 42.0 1.9 1.9 5.7
38 4 5 1 24.528 49.056 1.85547 248.3 11.5 11.1 5.7
39 4 0 2 25.895 51.79 1.76378 198.8 9.2 8.8 5.8
40 4 6 1 25.962 51.924 1.75954 78.9 3.6 3.5 5.8
41 4 1 2 26.023 52.045 1.75572 29.1 1.3 1.3 5.8
42 3 8 1 26.108 52.217 1.75036 33.8 1.6 1.5 5.8
43 4 2 2 26.403 52.806 1.73219 24.6 1.1 1.1 5.8
44 1 2 3 26.603 53.206 1.72013 24.5 1.1 1.1 5.8
45 1 8 2 26.713 53.425 1.71358 60.8 2.8 2.7 5.8
46 0 3 3 26.749 53.497 1.71144 60.8 2.8 2.7 5.8
47 1 11 0 27.909 55.818 1.64566 232.4 10.7 10.3 5.8
48 4 8 0 27.974 55.949 1.64212 23.0 1.1 1.0 5.8
49 2 10 1 28.191 56.383 1.6305 23.4 1.1 1.0 5.8
50 0 5 3 28.702 57.405 1.60388 245.2 11.3 10.8 5.8
51 6 0 0 29.492 58.983 1.56467 73.9 3.4 3.3 5.8
52 5 6 1 30.148 60.295 1.53372 436.5 20.1 19.2 5.8
53 0 12 0 30.18 60.359 1.53225 265.3 12.2 11.7 5.8
54 1 6 3 30.44 60.881 1.52036 306.2 14.1 13.5 5.8
55 2 5 3 30.499 60.998 1.51773 31.2 1.4 1.4 5.8
56 3 11 0 31.496 62.992 1.47439 112.2 5.2 4.9 5.9
57 5 4 2 31.909 63.819 1.45727 34.7 1.6 1.5 5.9
58 1 11 2 33.342 66.684 1.40144 96.2 4.4 4.2 5.9
59 6 5 1 33.646 67.292 1.39024 89.8 4.1 3.9 5.9
60 3 6 3 33.867 67.734 1.38225 155.2 7.2 6.7 5.9
61 6 0 2 34.779 69.558 1.3504 78.2 3.6 3.4 5.9
62 6 6 1 34.835 69.67 1.34849 109.8 5.1 4.8 5.9
63 6 1 2 34.886 69.772 1.34677 53.6 2.5 2.3 5.9
64 7 1 0 35.161 70.321 1.33759 38.6 1.8 1.7 5.9
65 1 0 4 35.595 71.189 1.3234 115.9 5.3 5.0 5.9
66 1 1 4 35.701 71.401 1.31999 31.2 1.4 1.3 5.9
67 6 3 2 35.739 71.478 1.31877 22.1 1.0 1.0 5.9
68 1 12 2 35.817 71.635 1.31626 119.9 5.5 5.2 5.9
69 3 11 2 36.628 73.256 1.29107 65.3 3.0 2.8 6.0
70 2 0 4 36.809 73.617 1.28563 95.3 4.4 4.1 6.0
71 4 12 0 36.896 73.791 1.28303 65.0 3.0 2.8 6.0
72 2 12 2 37.028 74.057 1.27909 112.8 5.2 4.8 6.0
73 4 11 2 39.411 78.823 1.21326 22.6 1.0 1.0 6.0
74 8 0 0 41.026 82.051 1.1735 22.6 1.0 1.0 6.1
75 4 0 4 41.54 83.08 1.16156 44.9 2.1 1.9 6.1
76 4 12 2 41.753 83.505 1.15672 56.4 2.6 2.4 6.1
77 5 11 2 42.917 85.833 1.13121 93.3 4.3 3.9 6.1
78 8 5 1 44.741 89.482 1.0943 30.9 1.4 1.3 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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