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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GAMAGARITE
1, s-brackebuschite
(Ba,Sr)(2)(Fe,Mn)(OH)[VO(4)](2)
Monoclinic P 2(1)/m Z = 2
R =0.058
3 .4 .1990
Ref.Str.:
Basso R., PalenzonaA., Zefiro L. (1987)
* Neues Jb. Miner., Mh., H.7, 295-304
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.121 alpha = 90.0
b = 6.142 beta = 112.88
c = 7.838 gamma = 90.0
Unit cell volume (cub. angs.) = 404.55
Molar volume ( cub.cm/mol.) = 121.84
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4091 0.75 0.3198 0.0 Ba = 0.9 , Sr = 0.1
2 0.2435 0.75 0.7359 0.0 Ba = 0.9 , Sr = 0.1
3 0.0 0.0 0.0 0.0 Fe = 0.56, Mn = 0.44
4 0.8265 0.75 0.5585 0.0 V = 1.00
5 0.6654 0.75 0.9535 0.0 V = 1.00
6 0.7051 0.9694 0.4975 0.0 O = 1.00
7 0.946 0.75 0.4446 0.0 O = 1.00
8 0.9539 0.75 0.8072 0.0 O = 1.00
9 0.5377 0.75 0.7274 0.0 O = 1.00
10 0.2178 0.0162 0.0054 0.0 O = 1.00
11 0.5545 0.75 0.0768 0.0 O = 1.00
12 0.067 0.75 0.1749 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4091 0.75 0.3198
2 2 0.2435 0.75 0.7359
3 3 0.0 0.0 0.0
4 4 0.8265 0.75 0.5585
5 5 0.6654 0.75 0.9535
6 6 0.7051 0.9694 0.4975
7 7 0.946 0.75 0.4446
8 8 0.9539 0.75 0.8072
9 9 0.5377 0.75 0.7274
10 10 0.2178 0.0162 0.0054
11 11 0.5545 0.75 0.0768
12 12 0.067 0.75 0.1749
13 1 0.5909 0.25 0.6802
14 2 0.7565 0.25 0.2641
15 3 0.0 0.5 0.0
16 4 0.1735 0.25 0.4415
17 5 0.3346 0.25 0.0465
18 6 0.2949 0.4694 0.5025
19 7 0.054 0.25 0.5554
20 8 0.0461 0.25 0.1928
21 9 0.4623 0.25 0.2726
22 10 0.7822 0.5162 0.9946
23 11 0.4455 0.25 0.9232
24 12 0.933 0.25 0.8251
25 6 0.7051 0.5306 0.4975
26 10 0.2178 0.4838 0.0054
27 6 0.2949 0.0306 0.5025
28 10 0.7822 0.9838 0.9946
X-ray density (g/cm cub.) = 4.65
MU (1/cm) = 1031.474 Mass attenuation coefficient (cm**2/g) = 222.039
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba ,Sr 3.288 11
2.8497 6
2.9442 9
2.9063 10
2.7112 11
2.8758 12
2.6955 6
3.1532 9
3.1532 9
2.8497 6
2.9063 10
2.6955 6
2 Ba ,Sr 3.288 8
2.7854 7
2.9047 8
2.71 9
2.7523 10
3.0483 11
2.684 6
2.7523 10
2.684 6
3 Fe ,Mn 2.724 6
2.0794 8
1.973 10
1.9897 12
2.0794 8
1.9897 12
1.973 10
4 V 2.496 4
1.6908 6
1.6558 7
1.8408 8
1.6908 6
5 V 2.496 4
1.7006 9
1.6484 11
1.7418 10
1.7418 10
6 O 3.264 6
2.743 7
2.9282 8
3.0877 9
2.8189 9
3.1199 12
2.6951 6
7 O 3.264 6
2.743 6
2.8148 8
2.7388 12
3.2389 7
3.2389 7
2.743 6
8 O 3.264 10
2.9282 6
2.8148 7
2.8236 10
2.6568 12
2.9088 10
3.0835 12
3.0835 12
2.9282 6
2.8236 10
2.9088 10
9 O 3.264 7
3.0877 6
2.6827 11
2.8189 6
2.791 10
3.0877 6
2.8189 6
2.791 10
10 O 3.264 7
2.8236 8
2.7841 12
2.9088 8
2.791 9
2.7984 11
2.82 12
2.872 10
11 O 3.264 3
2.6827 9
2.7984 10
2.7984 10
12 O 3.264 10
2.7388 7
2.6568 8
2.7841 10
3.1199 6
3.0835 8
3.0835 8
2.82 10
2.7841 10
3.1199 6
2.82 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 0 0 5.259 10.519 0.059 235.06 2 24.0 165.5
2 0 0 1 6.123 12.246 0.069 172.81 2 5.5 6.5
3 1 0 -1 6.335 12.671 0.072 161.28 2 30.5 183.0
4 1 1 0 8.936 17.873 0.101 79.95 4 68.1 905.8
5 0 1 1 9.476 18.953 0.107 70.86 4 34.4 204.5
6 1 0 1 9.525 19.05 0.107 70.11 2 67.9 395.1
7 1 1 -1 9.616 19.233 0.108 68.75 4 40.4 274.8
8 2 0 -1 9.937 19.875 0.112 64.24 2 30.6 73.7
9 2 0 0 10.564 21.127 0.119 56.6 2 41.6 119.6
10 1 0 -2 11.347 22.693 0.128 48.78 2 64.0 244.1
11 1 1 1 11.984 23.967 0.135 43.51 4 89.4 850.8
12 2 1 -1 12.317 24.635 0.138 41.08 4 30.1 91.1
13 0 0 2 12.318 24.636 0.138 41.07 2 13.7 9.4
14 2 0 -2 12.75 25.5 0.143 38.2 2 79.0 291.1
15 2 1 0 12.834 25.667 0.144 37.68 4 63.1 367.1
16 1 1 -2 13.492 26.985 0.151 33.89 4 233.8 4529.9
17 2 0 1 14.202 28.404 0.159 30.4 2 106.7 422.6
18 0 1 2 14.328 28.655 0.161 29.83 4 41.4 124.7
19 0 2 0 14.526 29.053 0.163 28.97 2 217.3 1670.9
20 3 0 -1 14.676 29.352 0.164 28.34 2 241.7 2023.9
21 2 1 -2 14.705 29.41 0.165 28.22 4 85.0 497.9
22 1 0 2 15.243 30.485 0.171 26.13 2 94.6 285.9
23 1 2 0 15.489 30.977 0.173 25.25 4 98.1 594.4
24 0 2 1 15.817 31.634 0.177 24.13 4 76.7 347.4
25 1 2 -1 15.904 31.808 0.178 23.85 4 77.8 352.8
26 3 0 -2 15.95 31.9 0.178 23.7 2 17.4 8.7
27 3 0 0 15.961 31.923 0.178 23.66 2 47.7 65.8
28 2 1 1 15.994 31.988 0.179 23.56 4 219.9 2785.0
29 3 1 -1 16.421 32.842 0.184 22.25 4 58.7 187.3
30 1 1 2 16.935 33.87 0.189 20.81 4 110.2 617.5
31 1 0 -3 17.256 34.512 0.193 19.98 2 37.9 35.0
32 1 2 1 17.487 34.974 0.195 19.41 4 38.5 70.1
33 2 0 -3 17.497 34.994 0.195 19.38 2 62.1 91.4
34 3 1 -2 17.581 35.163 0.196 19.18 4 93.2 407.1
35 3 1 0 17.592 35.184 0.196 19.16 4 17.0 13.5
36 2 2 -1 17.725 35.451 0.198 18.84 4 101.6 475.4
37 2 2 0 18.1 36.2 0.202 18.0 4 36.7 59.3
38 1 2 -2 18.589 37.178 0.207 16.97 4 19.7 16.1
39 0 0 3 18.663 37.326 0.208 16.83 2 124.6 319.0
40 1 1 -3 18.788 37.575 0.209 16.58 4 48.5 95.2
41 2 1 -3 19.012 38.023 0.211 16.15 4 8.9 3.1
42 0 2 2 19.225 38.45 0.214 15.76 4 173.3 1157.1
43 2 0 2 19.327 38.654 0.215 15.58 2 26.5 13.3
44 3 0 -3 19.332 38.665 0.215 15.57 2 98.5 184.7
45 3 0 1 19.352 38.704 0.215 15.53 2 112.8 241.6
46 2 2 -2 19.518 39.035 0.217 15.24 4 71.9 192.8
47 4 0 -1 19.859 39.718 0.221 14.66 2 16.6 4.9
48 0 1 3 20.102 40.205 0.223 14.27 4 39.6 54.6
49 4 0 -2 20.19 40.381 0.224 14.13 2 98.2 166.5
50 2 2 1 20.54 41.08 0.228 13.6 4 29.8 29.5
51 2 1 2 20.727 41.455 0.23 13.33 4 0.0 0.0
52 3 1 -3 20.733 41.465 0.23 13.32 4 64.2 134.4
53 3 1 1 20.751 41.502 0.23 13.3 4 2.9 0.3
54 3 2 -1 20.886 41.772 0.231 13.11 4 204.4 1337.6
55 4 1 -1 21.23 42.46 0.235 12.63 4 125.4 485.3
56 1 2 2 21.307 42.614 0.236 12.53 4 22.5 15.5
57 1 0 3 21.44 42.881 0.237 12.36 2 162.9 400.8
58 4 0 0 21.509 43.019 0.238 12.27 2 70.6 74.8
59 4 1 -2 21.544 43.088 0.238 12.22 4 13.8 5.7
60 3 2 -2 21.842 43.685 0.242 11.85 4 90.6 237.7
61 3 2 0 21.851 43.703 0.242 11.84 4 33.7 32.8
62 4 0 -3 22.431 44.863 0.248 11.16 2 1.6 0.0
63 1 1 3 22.734 45.467 0.251 10.83 4 69.2 126.7
64 1 3 0 22.783 45.566 0.251 10.78 4 76.3 153.4
65 4 1 0 22.8 45.599 0.252 10.76 4 62.0 101.2
66 1 2 -3 22.859 45.718 0.252 10.7 4 51.2 68.6
67 0 3 1 23.021 46.041 0.254 10.53 4 28.3 20.6
68 2 2 -3 23.05 46.101 0.254 10.5 4 9.5 2.3
69 1 3 -1 23.084 46.169 0.255 10.46 4 27.6 19.5
70 2 0 -4 23.172 46.343 0.255 10.37 2 201.3 513.7
71 1 0 -4 23.581 47.162 0.26 9.97 2 48.1 28.2
72 4 1 -3 23.682 47.364 0.261 9.87 4 192.6 895.1
73 0 2 3 23.991 47.981 0.264 9.59 4 48.1 54.1
74 3 0 -4 24.077 48.153 0.265 9.51 2 121.0 170.2
75 3 0 2 24.101 48.202 0.265 9.49 2 104.4 126.4
76 1 3 1 24.269 48.538 0.267 9.34 4 81.5 151.7
77 2 1 -4 24.393 48.785 0.268 9.23 4 26.4 15.8
78 2 3 -1 24.452 48.903 0.269 9.18 4 15.8 5.6
79 2 2 2 24.536 49.072 0.27 9.11 4 22.2 10.9
80 3 2 -3 24.541 49.081 0.27 9.11 4 102.3 232.9
81 3 2 1 24.557 49.114 0.27 9.09 4 119.6 317.8
82 2 3 0 24.741 49.483 0.272 8.94 4 58.1 73.6
83 1 1 -4 24.787 49.574 0.272 8.9 4 90.8 179.3
84 4 0 1 24.821 49.643 0.272 8.87 2 79.6 68.7
85 4 2 -1 24.978 49.956 0.274 8.75 4 60.4 78.1
86 5 0 -2 25.069 50.139 0.275 8.68 2 17.0 3.1
87 1 3 -2 25.124 50.247 0.276 8.63 4 178.6 673.1
88 2 0 3 25.225 50.451 0.277 8.55 2 1.3 0.0
89 4 2 -2 25.255 50.511 0.277 8.53 4 17.0 6.0
90 0 0 4 25.256 50.513 0.277 8.53 2 142.9 212.7
91 3 1 -4 25.265 50.529 0.277 8.52 4 43.5 39.5
92 3 1 2 25.288 50.577 0.277 8.51 4 27.6 15.8
93 5 0 -1 25.358 50.716 0.278 8.45 2 48.6 24.4
94 0 3 2 25.627 51.254 0.281 8.25 4 34.7 24.2
95 2 3 -2 25.861 51.722 0.283 8.08 4 69.7 96.0
96 4 1 1 25.984 51.968 0.284 8.0 4 119.5 278.8
97 4 0 -4 26.193 52.386 0.287 7.85 2 119.4 136.9
98 5 1 -2 26.224 52.449 0.287 7.83 4 16.0 4.9
99 1 2 3 26.315 52.631 0.288 7.77 4 229.2 997.3
100 4 2 0 26.375 52.749 0.288 7.73 4 39.2 29.0
101 2 1 3 26.375 52.751 0.288 7.73 4 68.6 88.8
102 0 1 4 26.405 52.811 0.289 7.71 4 43.8 36.1
103 5 0 -3 26.451 52.902 0.289 7.68 2 120.5 136.1
104 5 1 -1 26.504 53.007 0.29 7.64 4 53.6 53.6
105 2 3 1 26.69 53.38 0.292 7.52 4 196.0 706.2
106 3 3 -1 26.974 53.948 0.294 7.34 4 46.7 39.2
107 4 2 -3 27.17 54.34 0.296 7.22 4 67.3 79.9
108 5 0 0 27.278 54.557 0.297 7.16 2 112.8 111.2
109 4 1 -4 27.314 54.628 0.298 7.14 4 55.0 52.7
110 1 3 2 27.322 54.644 0.298 7.13 4 72.0 90.4
111 5 1 -3 27.565 55.129 0.3 6.99 4 56.3 54.1
112 3 3 -2 27.769 55.537 0.302 6.87 4 65.1 71.1
113 3 3 0 27.776 55.552 0.302 6.87 4 25.1 10.6
114 2 2 -4 27.816 55.632 0.303 6.85 4 192.3 618.9
115 1 0 4 28.032 56.063 0.305 6.73 2 25.5 5.4
116 1 2 -4 28.176 56.351 0.306 6.65 4 20.4 6.8
117 5 1 0 28.37 56.74 0.308 6.55 4 108.4 188.1
118 3 2 -4 28.613 57.227 0.311 6.42 4 52.4 43.0
119 1 3 -3 28.627 57.255 0.311 6.42 4 35.2 19.4
120 3 2 2 28.635 57.27 0.311 6.41 4 28.9 13.1
121 2 3 -3 28.79 57.581 0.313 6.33 4 4.9 0.4
122 1 1 4 29.105 58.209 0.316 6.18 4 3.1 0.1
123 4 2 1 29.276 58.552 0.317 6.1 4 4.5 0.3
124 5 0 -4 29.337 58.673 0.318 6.07 2 9.0 0.6
125 4 0 2 29.386 58.771 0.319 6.05 2 106.2 83.3
126 2 0 -5 29.47 58.939 0.319 6.01 2 54.2 21.5
127 5 2 -2 29.498 58.996 0.32 6.0 4 74.9 82.1
128 0 3 3 29.598 59.197 0.321 5.95 4 29.8 13.0
129 2 2 3 29.637 59.275 0.321 5.93 4 53.1 40.9
130 0 2 4 29.665 59.331 0.321 5.92 4 10.8 1.7
131 3 0 -5 29.736 59.472 0.322 5.89 2 19.8 2.8
132 5 2 -1 29.757 59.513 0.322 5.88 4 164.7 389.7
133 3 0 3 29.764 59.529 0.322 5.88 2 142.8 146.3
134 2 3 2 30.072 60.144 0.325 5.74 4 4.2 0.2
135 3 3 -3 30.076 60.152 0.325 5.74 4 58.8 48.5
136 3 3 1 30.09 60.18 0.325 5.74 4 1.1 0.0
137 0 4 0 30.109 60.218 0.326 5.73 2 285.0 568.5
138 1 0 -5 30.319 60.638 0.328 5.64 2 64.2 28.4
139 5 1 -4 30.38 60.76 0.328 5.61 4 35.2 17.0
140 4 1 2 30.428 60.856 0.329 5.59 4 83.6 95.5
141 6 0 -2 30.445 60.89 0.329 5.59 2 179.4 219.7
142 4 3 -1 30.458 60.916 0.329 5.58 4 90.6 112.0
143 4 2 -4 30.51 61.02 0.33 5.56 4 19.9 5.4
144 2 1 -5 30.511 61.021 0.33 5.56 4 38.4 20.1
145 5 0 1 30.621 61.242 0.331 5.52 2 49.6 16.6
146 1 4 0 30.661 61.321 0.331 5.5 4 20.9 5.9
147 4 3 -2 30.701 61.403 0.331 5.48 4 5.7 0.4
148 5 2 -3 30.744 61.487 0.332 5.47 4 0.5 0.0
149 3 1 -5 30.772 61.543 0.332 5.46 4 26.0 9.0
150 3 1 3 30.799 61.598 0.332 5.45 4 32.9 14.4
151 0 4 1 30.855 61.709 0.333 5.42 4 1.8 0.0
152 1 4 -1 30.907 61.813 0.333 5.4 4 13.7 2.5
153 4 0 -5 31.101 62.202 0.335 5.33 2 57.3 21.4
154 6 0 -3 31.179 62.358 0.336 5.3 2 21.9 3.1
155 6 0 -1 31.193 62.385 0.336 5.29 2 62.5 25.3
156 1 1 -5 31.343 62.686 0.338 5.24 4 101.1 130.9
157 6 1 -2 31.466 62.933 0.339 5.19 4 75.5 72.3
158 5 2 0 31.498 62.995 0.339 5.18 4 52.0 34.3
159 1 3 3 31.639 63.278 0.341 5.13 4 57.3 41.1
160 5 1 1 31.639 63.279 0.341 5.13 4 32.7 13.4
161 4 3 0 31.691 63.383 0.341 5.11 4 49.9 31.2
162 2 0 4 31.723 63.446 0.341 5.1 2 37.9 9.0
163 1 4 1 31.886 63.773 0.343 5.05 4 43.9 23.8
164 2 4 -1 32.039 64.079 0.344 4.99 4 30.5 11.4
165 4 1 -5 32.111 64.221 0.345 4.97 4 54.6 36.2
166 6 1 -3 32.187 64.374 0.346 4.94 4 123.4 183.8
167 1 2 4 32.188 64.377 0.346 4.94 4 25.5 7.9
168 6 1 -1 32.201 64.401 0.346 4.94 4 18.7 4.2
169 0 0 5 32.231 64.463 0.346 4.93 2 43.3 11.3
170 2 4 0 32.283 64.565 0.347 4.91 4 30.6 11.3
171 4 3 -3 32.403 64.805 0.348 4.87 4 183.4 400.6
172 1 4 -2 32.605 65.211 0.35 4.81 4 43.2 21.9
173 2 1 4 32.722 65.444 0.351 4.77 4 67.8 53.5
174 2 3 -4 32.985 65.969 0.353 4.69 4 25.8 7.6
175 0 4 2 33.033 66.067 0.354 4.67 4 25.3 7.3
176 0 1 5 33.222 66.444 0.356 4.62 4 145.8 240.0
177 2 4 -2 33.233 66.467 0.356 4.61 4 64.9 47.5
178 1 3 -4 33.31 66.621 0.356 4.59 4 96.0 103.5
179 6 0 -4 33.339 66.678 0.357 4.58 2 3.2 0.1
180 6 0 0 33.366 66.731 0.357 4.58 2 67.3 25.3
181 5 2 -4 33.395 66.791 0.357 4.57 4 45.7 23.3
182 4 2 2 33.441 66.881 0.358 4.55 4 186.2 385.9
183 5 0 -5 33.487 66.974 0.358 4.54 2 123.7 84.9
184 2 2 -5 33.519 67.038 0.358 4.53 4 4.7 0.2
185 3 3 -4 33.708 67.416 0.36 4.48 4 50.7 28.1
186 3 3 2 33.728 67.456 0.36 4.47 4 33.9 12.5
187 3 2 -5 33.767 67.534 0.361 4.46 4 1.9 0.0
188 3 2 3 33.794 67.587 0.361 4.46 4 113.7 140.7
189 2 4 1 33.947 67.894 0.362 4.41 4 76.1 62.5
190 3 4 -1 34.194 68.388 0.365 4.35 4 186.6 369.8
191 1 2 -5 34.312 68.623 0.366 4.32 4 11.3 1.3
192 4 3 1 34.313 68.627 0.366 4.32 4 120.1 152.2
193 6 1 -4 34.313 68.627 0.366 4.32 4 47.5 23.8
194 6 1 0 34.34 68.679 0.366 4.31 4 32.3 11.0
195 6 2 -2 34.429 68.859 0.367 4.29 4 119.2 148.8
196 5 1 -5 34.459 68.919 0.367 4.28 4 19.2 3.8
197 1 4 2 34.497 68.994 0.368 4.27 4 71.8 53.7
198 5 3 -2 34.517 69.033 0.368 4.26 4 10.2 1.1
199 5 2 1 34.595 69.189 0.369 4.24 4 55.8 32.3
200 2 3 3 34.645 69.29 0.369 4.23 4 57.5 34.2
201 0 3 4 34.671 69.341 0.369 4.23 4 41.0 17.4
202 5 3 -1 34.754 69.509 0.37 4.2 4 47.4 23.1
203 3 4 -2 34.889 69.777 0.371 4.17 4 21.0 4.5
204 3 4 0 34.895 69.79 0.371 4.17 4 29.9 9.1
205 4 0 3 34.944 69.888 0.372 4.16 2 2.8 0.0
206 4 2 -5 35.045 70.091 0.373 4.13 4 0.8 0.0
207 1 0 5 35.114 70.229 0.373 4.12 2 140.1 98.7
208 6 2 -3 35.119 70.237 0.373 4.12 4 67.2 45.4
209 6 2 -1 35.132 70.263 0.374 4.11 4 16.4 2.7
210 5 0 2 35.159 70.317 0.374 4.11 2 25.7 3.3
211 4 3 -4 35.45 70.899 0.376 4.04 4 54.3 29.1
212 2 2 4 35.632 71.264 0.378 4.0 4 28.2 7.8
213 1 4 -3 35.647 71.294 0.378 4.0 4 31.5 9.7
214 5 3 -3 35.666 71.333 0.378 3.99 4 50.4 24.8
215 2 4 -3 35.792 71.584 0.38 3.96 4 45.6 20.2
216 4 1 3 35.898 71.796 0.381 3.94 4 31.5 9.5
217 1 1 5 36.066 72.133 0.382 3.91 4 26.1 6.5
218 5 1 2 36.11 72.221 0.383 3.9 4 76.4 55.6
219 0 2 5 36.113 72.225 0.383 3.9 4 95.1 86.2
220 3 0 -6 36.173 72.347 0.383 3.88 2 4.7 0.1
221 3 0 4 36.205 72.411 0.383 3.88 2 54.3 14.0
222 7 0 -2 36.318 72.635 0.384 3.85 2 37.9 6.8
223 5 3 0 36.368 72.735 0.385 3.84 4 103.7 101.0
224 2 0 -6 36.39 72.78 0.385 3.84 2 95.2 42.5
225 0 4 3 36.514 73.029 0.386 3.81 4 100.5 94.1
226 7 0 -3 36.538 73.075 0.386 3.81 2 10.5 0.5
227 6 0 -5 36.8 73.601 0.389 3.76 2 76.6 26.9
228 6 0 1 36.838 73.677 0.389 3.75 2 42.6 8.3
229 2 4 2 36.94 73.881 0.39 3.73 4 5.6 0.3
230 3 4 -3 36.944 73.888 0.39 3.73 4 61.6 34.6
231 3 4 1 36.957 73.914 0.39 3.73 4 78.1 55.6
232 4 0 -6 36.963 73.927 0.39 3.73 2 24.9 2.8
233 1 3 4 37.014 74.028 0.391 3.72 4 12.4 1.4
234 3 1 -6 37.114 74.229 0.392 3.7 4 184.6 308.0
235 3 1 4 37.146 74.292 0.392 3.69 4 108.0 105.2
236 6 2 -4 37.166 74.332 0.392 3.69 4 51.2 23.7
237 6 2 0 37.191 74.382 0.392 3.68 4 110.6 110.2
238 7 1 -2 37.257 74.515 0.393 3.67 4 81.5 59.7
239 4 4 -1 37.29 74.58 0.393 3.67 4 8.3 0.6
240 5 2 -5 37.307 74.614 0.393 3.66 4 216.4 419.4
241 2 1 -6 37.329 74.658 0.394 3.66 4 1.6 0.0
242 7 0 -1 37.457 74.914 0.395 3.64 2 13.2 0.8
243 7 1 -3 37.475 74.95 0.395 3.63 4 39.2 13.7
244 4 4 -2 37.511 75.022 0.395 3.63 4 62.2 34.3
245 1 0 -6 37.607 75.213 0.396 3.61 2 11.4 0.6
246 6 1 -5 37.735 75.471 0.397 3.59 4 82.8 60.1
247 6 1 1 37.773 75.546 0.398 3.58 4 14.6 1.9
248 4 1 -6 37.897 75.794 0.399 3.56 4 103.7 93.5
249 7 0 -4 38.108 76.216 0.401 3.53 2 37.9 6.2
250 5 3 -4 38.151 76.302 0.401 3.52 4 25.7 5.7
251 4 3 2 38.194 76.388 0.401 3.51 4 81.7 57.3
252 2 3 -5 38.268 76.536 0.402 3.5 4 26.1 5.8
253 1 4 3 38.367 76.734 0.403 3.48 4 129.6 143.1
254 7 1 -1 38.386 76.772 0.403 3.48 4 25.2 5.4
255 4 4 0 38.415 76.831 0.403 3.48 4 45.1 17.3
256 3 3 -5 38.503 77.006 0.404 3.46 4 20.8 3.7
257 3 3 3 38.528 77.056 0.404 3.46 4 31.8 8.5
258 1 1 -6 38.535 77.07 0.404 3.46 4 40.1 13.6
259 4 2 3 38.703 77.407 0.406 3.43 4 57.4 27.7
260 5 0 -6 38.738 77.475 0.406 3.43 2 79.7 26.6
261 1 2 5 38.867 77.734 0.407 3.41 4 73.6 45.1
262 2 0 5 38.885 77.771 0.407 3.41 2 5.8 0.1
263 5 2 2 38.91 77.82 0.408 3.4 4 71.3 42.3
264 1 3 -5 39.02 78.04 0.409 3.39 4 95.8 76.0
265 7 1 -4 39.032 78.065 0.409 3.38 4 137.3 155.9
266 4 4 -3 39.071 78.141 0.409 3.38 4 0.8 0.0
267 6 3 -2 39.132 78.265 0.41 3.37 4 72.7 43.5
268 5 3 1 39.29 78.58 0.411 3.35 4 31.2 8.0
269 1 5 0 39.325 78.651 0.411 3.34 4 36.4 10.8
270 0 5 1 39.499 78.998 0.413 3.32 4 21.7 3.8
271 1 5 -1 39.546 79.092 0.413 3.31 4 30.6 7.6
272 2 4 -4 39.61 79.22 0.414 3.31 4 152.8 188.7
273 5 1 -6 39.658 79.315 0.414 3.3 4 35.5 10.2
274 4 3 -5 39.721 79.441 0.415 3.29 4 39.7 12.7
275 6 3 -3 39.791 79.581 0.415 3.28 4 123.6 122.5
276 0 0 6 39.792 79.584 0.415 3.28 2 27.3 3.0
277 6 3 -1 39.803 79.606 0.416 3.28 4 28.2 6.4
278 2 1 5 39.804 79.609 0.416 3.28 4 100.1 80.3
279 3 2 -6 39.89 79.78 0.416 3.27 4 44.7 15.9
280 1 4 -4 39.913 79.827 0.416 3.27 4 38.2 11.7
281 7 0 0 39.914 79.829 0.416 3.27 2 31.7 4.0
282 3 2 4 39.921 79.842 0.417 3.26 4 109.5 95.8
283 7 2 -2 40.03 80.059 0.418 3.25 4 11.3 1.0
284 2 2 -6 40.1 80.2 0.418 3.24 4 81.7 52.8
285 7 2 -3 40.243 80.486 0.419 3.22 4 5.5 0.2
286 2 3 4 40.282 80.565 0.42 3.22 4 58.3 26.8
287 3 4 -4 40.285 80.57 0.42 3.22 4 95.9 72.3
288 3 4 2 40.304 80.607 0.42 3.22 4 80.3 50.7
289 1 5 1 40.431 80.861 0.421 3.2 4 60.6 28.7
290 6 2 -5 40.498 80.996 0.422 3.19 4 30.0 7.0
291 6 2 1 40.535 81.07 0.422 3.19 4 4.0 0.1
292 2 5 -1 40.57 81.139 0.422 3.19 4 30.3 7.2
293 4 2 -6 40.656 81.313 0.423 3.18 4 50.5 19.8
294 0 1 6 40.706 81.412 0.423 3.17 4 5.6 0.2
295 0 3 5 40.745 81.489 0.424 3.17 4 132.2 135.2
296 5 0 3 40.773 81.547 0.424 3.16 2 88.4 30.2
297 2 5 0 40.792 81.583 0.424 3.16 4 42.9 14.2
298 7 1 0 40.827 81.655 0.424 3.16 4 163.5 206.2
299 4 4 1 40.853 81.706 0.425 3.15 4 63.7 31.3
300 7 0 -5 40.979 81.958 0.426 3.14 2 81.2 25.3
301 5 4 -2 41.045 82.089 0.426 3.13 4 16.1 2.0
302 1 5 -2 41.087 82.173 0.427 3.13 4 171.6 225.1
303 7 2 -1 41.137 82.273 0.427 3.12 4 7.1 0.4
304 2 4 3 41.166 82.331 0.427 3.12 4 0.2 0.0
305 0 4 4 41.19 82.38 0.427 3.12 4 102.2 79.6
306 5 4 -1 41.269 82.538 0.428 3.11 4 53.0 21.4
307 1 2 -6 41.283 82.565 0.428 3.11 4 43.2 14.2
308 4 0 4 41.446 82.892 0.43 3.09 2 104.5 41.2
309 6 0 -6 41.46 82.92 0.43 3.09 2 15.2 0.9
310 0 5 2 41.48 82.96 0.43 3.09 4 30.6 7.1
311 6 0 2 41.509 83.018 0.43 3.09 2 148.1 82.7
312 2 5 -2 41.664 83.329 0.432 3.07 4 62.4 29.2
313 5 1 3 41.683 83.365 0.432 3.07 4 27.8 5.8
314 6 3 -4 41.762 83.524 0.432 3.06 4 40.0 12.0
315 7 2 -4 41.772 83.544 0.432 3.06 4 82.4 50.8
316 6 3 0 41.786 83.573 0.433 3.06 4 25.4 4.8
317 7 1 -5 41.887 83.774 0.433 3.05 4 55.4 22.9
318 5 3 -5 41.899 83.798 0.433 3.05 4 16.9 2.1
319 4 4 -4 41.928 83.856 0.434 3.04 4 88.3 58.0
320 5 4 -3 42.134 84.268 0.435 3.03 4 93.7 65.0
321 2 5 1 42.326 84.652 0.437 3.01 4 145.0 154.7
322 4 1 4 42.353 84.705 0.437 3.01 4 64.1 30.2
323 6 1 -6 42.367 84.733 0.437 3.01 4 5.1 0.2
324 5 2 -6 42.388 84.777 0.438 3.0 4 29.1 6.2
325 6 1 2 42.416 84.831 0.438 3.0 4 0.2 0.0
326 2 2 5 42.533 85.067 0.439 2.99 4 37.9 10.5
327 3 5 -1 42.556 85.112 0.439 2.99 4 41.7 12.7
328 8 0 -3 42.572 85.143 0.439 2.99 2 13.3 0.6
329 8 0 -2 42.798 85.595 0.441 2.97 2 116.9 49.6
330 5 4 0 42.804 85.607 0.441 2.97 4 94.2 64.4
331 1 5 2 42.839 85.679 0.441 2.97 4 81.1 47.6
332 1 0 6 42.914 85.828 0.442 2.96 2 36.6 4.8
333 3 5 -2 43.206 86.413 0.444 2.94 4 69.9 35.1
334 3 5 0 43.213 86.425 0.444 2.94 4 0.6 0.0
335 4 3 3 43.259 86.517 0.445 2.93 4 17.7 2.2
336 1 3 5 43.419 86.838 0.446 2.92 4 27.5 5.4
337 1 4 4 43.424 86.849 0.446 2.92 4 20.5 3.0
338 0 2 6 43.425 86.849 0.446 2.92 4 62.8 28.2
339 5 3 2 43.461 86.922 0.446 2.92 4 67.7 32.7
340 8 1 -3 43.475 86.95 0.447 2.92 4 14.7 1.5
341 3 0 -7 43.48 86.959 0.447 2.92 2 9.5 0.3
342 3 0 5 43.516 87.032 0.447 2.92 2 5.3 0.1
343 7 2 0 43.545 87.09 0.447 2.91 4 13.8 1.4
344 7 0 1 43.642 87.284 0.448 2.91 2 60.7 13.1
345 8 0 -4 43.652 87.305 0.448 2.91 2 96.1 32.8
346 8 1 -2 43.701 87.401 0.448 2.9 4 22.9 3.7
347 4 0 -7 43.8 87.601 0.449 2.9 2 13.8 0.7
348 1 1 6 43.817 87.634 0.449 2.9 4 24.9 4.4
349 1 5 -3 43.922 87.845 0.45 2.89 4 35.5 8.9
350 2 5 -3 44.06 88.12 0.451 2.88 4 5.5 0.2
351 2 0 -7 44.122 88.245 0.452 2.88 2 65.1 14.9
352 8 0 -1 44.329 88.658 0.454 2.86 2 99.1 34.4
353 3 1 -7 44.381 88.763 0.454 2.86 4 20.9 3.1
354 5 2 3 44.393 88.787 0.454 2.86 4 0.3 0.0
355 3 1 5 44.418 88.836 0.454 2.86 4 13.0 1.2
356 3 3 -6 44.423 88.845 0.454 2.86 4 158.7 176.0
357 3 3 4 44.453 88.906 0.455 2.86 4 106.8 79.7
358 5 4 -4 44.524 89.048 0.455 2.85 4 9.6 0.6
359 7 1 1 44.543 89.087 0.455 2.85 4 77.7 42.1
360 8 1 -4 44.554 89.108 0.455 2.85 4 12.6 1.1
361 7 3 -2 44.56 89.121 0.455 2.85 4 79.0 43.5
362 4 4 2 44.566 89.131 0.456 2.85 4 88.9 55.0
363 7 2 -5 44.597 89.193 0.456 2.85 4 73.3 37.4
364 2 3 -6 44.629 89.259 0.456 2.85 4 2.8 0.1
365 2 4 -5 44.638 89.276 0.456 2.85 4 42.5 12.6
366 4 1 -7 44.702 89.404 0.457 2.84 4 5.4 0.2
367 0 5 3 44.748 89.496 0.457 2.84 4 23.1 3.7
368 7 3 -3 44.771 89.541 0.457 2.84 4 39.2 10.7
369 3 4 -5 44.867 89.733 0.458 2.84 4 20.7 3.0
370 3 4 3 44.891 89.782 0.458 2.83 4 120.1 99.9
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 5.259 10.519 8.40337 165.5 3.7 3.7 5.6
2 1 0 -1 6.335 12.671 6.98035 183.0 4.0 4.1 5.6
3 1 1 0 8.936 17.873 4.95869 905.8 20.0 20.1 5.6
4 0 1 1 9.476 18.953 4.67859 204.5 4.5 4.5 5.6
5 1 0 1 9.525 19.05 4.65487 395.1 8.7 8.8 5.6
6 1 1 -1 9.616 19.233 4.61111 274.8 6.1 6.1 5.6
7 2 0 -1 9.937 19.875 4.46357 73.7 1.6 1.6 5.6
8 2 0 0 10.564 21.127 4.20169 119.6 2.6 2.7 5.6
9 1 0 -2 11.347 22.693 3.91515 244.1 5.4 5.4 5.6
10 1 1 1 11.984 23.967 3.70982 850.8 18.8 18.8 5.6
11 2 1 -1 12.317 24.635 3.61079 100.4 2.2 2.2 5.6
12 2 0 -2 12.75 25.5 3.49017 291.1 6.4 6.4 5.6
13 2 1 0 12.834 25.667 3.46788 367.1 8.1 8.1 5.6
14 1 1 -2 13.492 26.985 3.30145 4529.9 100.0 100.0 5.6
15 2 0 1 14.202 28.404 3.13962 422.6 9.3 9.3 5.6
16 0 1 2 14.328 28.655 3.11266 124.7 2.8 2.7 5.6
17 0 2 0 14.526 29.053 3.071 1670.9 36.9 36.8 5.6
18 3 0 -1 14.676 29.352 3.04033 2023.9 44.7 44.6 5.6
19 2 1 -2 14.705 29.41 3.03447 497.9 11.0 11.0 5.6
20 1 0 2 15.243 30.485 2.92986 285.9 6.3 6.3 5.6
21 1 2 0 15.489 30.977 2.88442 594.4 13.1 13.1 5.6
22 0 2 1 15.817 31.634 2.82606 347.4 7.7 7.6 5.6
23 1 2 -1 15.904 31.808 2.81098 352.8 7.8 7.8 5.6
24 3 0 0 15.961 31.923 2.80112 74.5 1.6 1.6 5.6
25 2 1 1 15.994 31.988 2.79556 2785.0 61.5 61.2 5.6
26 3 1 -1 16.421 32.842 2.72478 187.3 4.1 4.1 5.6
27 1 1 2 16.935 33.87 2.6444 617.5 13.6 13.6 5.7
28 2 0 -3 17.497 34.994 2.56202 161.5 3.6 3.5 5.7
29 3 1 -2 17.581 35.163 2.55008 420.7 9.3 9.2 5.7
30 2 2 -1 17.725 35.451 2.53003 475.4 10.5 10.4 5.7
31 2 2 0 18.1 36.2 2.47935 59.3 1.3 1.3 5.7
32 0 0 3 18.663 37.326 2.40711 319.0 7.0 7.0 5.7
33 1 1 -3 18.788 37.575 2.39173 95.2 2.1 2.1 5.7
34 0 2 2 19.225 38.45 2.3393 1157.1 25.5 25.3 5.7
35 3 0 1 19.352 38.704 2.32453 439.6 9.7 9.6 5.7
36 2 2 -2 19.518 39.035 2.30556 192.8 4.3 4.2 5.7
37 0 1 3 20.102 40.205 2.24114 54.6 1.2 1.2 5.7
38 4 0 -2 20.19 40.381 2.23179 166.5 3.7 3.6 5.7
39 3 1 -3 20.733 41.465 2.17588 134.7 3.0 2.9 5.7
40 3 2 -1 20.886 41.772 2.1606 1337.6 29.5 29.1 5.7
41 4 1 -1 21.23 42.46 2.12716 485.3 10.7 10.6 5.7
42 1 0 3 21.44 42.881 2.10729 400.8 8.8 8.7 5.7
43 4 0 0 21.509 43.019 2.10084 74.8 1.7 1.6 5.7
44 3 2 -2 21.842 43.685 2.07033 270.5 6.0 5.9 5.7
45 1 1 3 22.734 45.467 1.99324 126.7 2.8 2.7 5.7
46 1 3 0 22.783 45.566 1.98915 254.6 5.6 5.5 5.7
47 1 2 -3 22.859 45.718 1.98287 68.6 1.5 1.5 5.7
48 2 0 -4 23.172 46.343 1.95758 513.7 11.3 11.1 5.7
49 4 1 -3 23.682 47.364 1.91776 895.1 19.8 19.4 5.7
50 0 2 3 23.991 47.981 1.8945 54.1 1.2 1.2 5.7
51 3 0 -4 24.077 48.153 1.88813 296.6 6.5 6.4 5.7
52 1 3 1 24.269 48.538 1.87407 151.7 3.3 3.3 5.7
53 3 2 1 24.557 49.114 1.85344 561.6 12.4 12.1 5.7
54 2 3 0 24.741 49.483 1.84047 73.6 1.6 1.6 5.7
55 1 1 -4 24.787 49.574 1.83731 179.3 4.0 3.9 5.7
56 4 0 1 24.821 49.643 1.83491 68.7 1.5 1.5 5.7
57 4 2 -1 24.978 49.956 1.82414 78.1 1.7 1.7 5.7
58 1 3 -2 25.124 50.247 1.81425 673.1 14.9 14.5 5.8
59 3 1 -4 25.265 50.529 1.80478 274.0 6.0 5.9 5.8
60 2 3 -2 25.861 51.722 1.76593 96.0 2.1 2.1 5.8
61 4 1 1 25.984 51.968 1.75813 278.8 6.2 6.0 5.8
62 4 0 -4 26.193 52.386 1.74509 136.9 3.0 2.9 5.8
63 1 2 3 26.315 52.631 1.73756 997.3 22.0 21.5 5.8
64 2 1 3 26.375 52.751 1.7339 117.8 2.6 2.5 5.8
65 5 0 -3 26.451 52.902 1.72929 136.1 3.0 2.9 5.8
66 5 1 -1 26.504 53.007 1.72609 53.6 1.2 1.2 5.8
67 2 3 1 26.69 53.38 1.71493 706.2 15.6 15.2 5.8
68 4 2 -3 27.17 54.34 1.68687 79.9 1.8 1.7 5.8
69 5 0 0 27.278 54.557 1.68067 111.2 2.5 2.4 5.8
70 1 3 2 27.322 54.644 1.6782 143.1 3.2 3.1 5.8
71 5 1 -3 27.565 55.129 1.66457 54.1 1.2 1.2 5.8
72 3 3 -2 27.769 55.537 1.6533 81.7 1.8 1.8 5.8
73 2 2 -4 27.816 55.632 1.65073 618.9 13.7 13.3 5.8
74 5 1 0 28.37 56.74 1.62108 188.1 4.2 4.0 5.8
75 3 2 -4 28.613 57.227 1.60844 75.6 1.7 1.6 5.8
76 4 0 2 29.386 58.771 1.56981 83.3 1.8 1.8 5.8
77 5 2 -2 29.498 58.996 1.56437 103.7 2.3 2.2 5.8
78 3 0 3 29.764 59.529 1.55162 538.9 11.9 11.5 5.8
79 3 3 -3 30.076 60.152 1.53704 48.5 1.1 1.0 5.8
80 0 4 0 30.109 60.218 1.5355 568.5 12.6 12.1 5.8
81 6 0 -2 30.445 60.89 1.52017 427.3 9.4 9.1 5.8
82 1 1 -5 31.343 62.686 1.48086 130.9 2.9 2.8 5.8
83 6 1 -2 31.466 62.933 1.47564 72.3 1.6 1.5 5.9
84 1 3 3 31.639 63.278 1.46842 54.6 1.2 1.2 5.9
85 6 1 -3 32.187 64.374 1.44603 195.9 4.3 4.1 5.9
86 4 3 -3 32.403 64.805 1.43745 400.6 8.8 8.5 5.9
87 2 1 4 32.722 65.444 1.42496 53.5 1.2 1.1 5.9
88 0 1 5 33.222 66.444 1.40592 287.5 6.3 6.1 5.9
89 1 3 -4 33.31 66.621 1.40262 103.5 2.3 2.2 5.9
90 4 2 2 33.441 66.881 1.39778 385.9 8.5 8.1 5.9
91 5 0 -5 33.487 66.974 1.39607 84.9 1.9 1.8 5.9
92 3 2 3 33.794 67.587 1.38489 140.7 3.1 3.0 5.9
93 2 4 1 33.947 67.894 1.37937 62.5 1.4 1.3 5.9
94 3 4 -1 34.194 68.388 1.37062 369.8 8.2 7.8 5.9
95 6 1 0 34.34 68.679 1.36551 188.3 4.2 4.0 5.9
96 6 2 -2 34.429 68.859 1.36239 148.8 3.3 3.1 5.9
97 1 4 2 34.497 68.994 1.36004 54.8 1.2 1.2 5.9
98 2 3 3 34.645 69.29 1.35496 51.6 1.1 1.1 5.9
99 1 0 5 35.114 70.229 1.33913 146.8 3.2 3.1 5.9
100 0 2 5 36.113 72.225 1.30695 141.8 3.1 3.0 5.9
101 5 3 0 36.368 72.735 1.29903 143.5 3.2 3.0 6.0
102 0 4 3 36.514 73.029 1.29454 94.6 2.1 2.0 6.0
103 3 4 1 36.957 73.914 1.28121 93.0 2.1 1.9 6.0
104 3 1 -6 37.114 74.229 1.27655 308.0 6.8 6.4 6.0
105 3 1 4 37.146 74.292 1.27562 128.9 2.8 2.7 6.0
106 6 2 0 37.191 74.382 1.2743 110.2 2.4 2.3 6.0
107 7 1 -2 37.257 74.515 1.27236 59.7 1.3 1.2 6.0
108 5 2 -5 37.307 74.614 1.27091 419.4 9.3 8.7 6.0
109 6 1 -5 37.735 75.471 1.25859 60.1 1.3 1.2 6.0
110 4 1 -6 37.897 75.794 1.25403 93.5 2.1 1.9 6.0
111 4 3 2 38.194 76.388 1.24576 57.3 1.3 1.2 6.0
112 1 4 3 38.367 76.734 1.24099 148.5 3.3 3.1 6.0
113 7 1 -4 39.032 78.065 1.22314 231.9 5.1 4.8 6.0
114 2 4 -4 39.61 79.22 1.20817 188.7 4.2 3.9 6.0
115 6 3 -3 39.791 79.581 1.2036 212.2 4.7 4.4 6.0
116 3 2 4 39.921 79.842 1.20032 95.8 2.1 2.0 6.0
117 2 2 -6 40.1 80.2 1.19586 52.8 1.2 1.1 6.0
118 3 4 2 40.304 80.607 1.19084 149.8 3.3 3.1 6.1
119 0 3 5 40.745 81.489 1.18016 165.4 3.7 3.4 6.1
120 7 1 0 40.827 81.655 1.17819 237.5 5.2 4.9 6.1
121 1 5 -2 41.087 82.173 1.17206 225.1 5.0 4.6 6.1
122 0 4 4 41.19 82.38 1.16965 79.6 1.8 1.6 6.1
123 6 0 2 41.509 83.018 1.16226 89.7 2.0 1.8 6.1
124 7 2 -4 41.772 83.544 1.15628 67.6 1.5 1.4 6.1
125 4 4 -4 41.928 83.856 1.15278 58.0 1.3 1.2 6.1
126 5 4 -3 42.134 84.268 1.14819 65.0 1.4 1.3 6.1
127 2 5 1 42.326 84.652 1.14396 184.9 4.1 3.8 6.1
128 5 4 0 42.804 85.607 1.13362 114.0 2.5 2.3 6.1
129 1 5 2 42.839 85.679 1.13286 47.6 1.1 1.0 6.1
130 8 0 -4 43.652 87.305 1.11589 45.9 1.0 0.9 6.2
131 3 3 -6 44.423 88.845 1.10048 256.9 5.7 5.2 6.2
132 4 4 2 44.566 89.131 1.09769 141.7 3.1 2.8 6.2
133 3 4 3 44.891 89.782 1.09142 102.8 2.3 2.1 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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