Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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BUSHMAKINITE
1
Pb(2){(Al,Cu)[PO(4)][(V,Cr,P)O(4)](OH)}
Monoclinic P 2(1)/m Z = 2
P2(1)/m
30 .10 .9
Ref.Str.:
Yakubovich O.V., Massa V., Pekov I.V. (2002)
* Doklady Earth Sciences, 382, 100-105
R: from Berezov gold ore deposit, Middle Urals, Russia.
Coordinate "z" of O(pos.6) is changed. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.759 alpha = 90.0
b = 5.782 beta = 111.97
c = 8.775 gamma = 90.0
Unit cell volume (cub. angs.) = 365.08
Molar volume ( cub.cm/mol.) = 109.95
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2234 0.25 0.2624 0.0 Pb = 1.00
2 0.7992 0.25 0.4038 0.0 Pb = 1.00
3 0.5 0.0 0.0 0.0 Al = 0.74, Cu = 0.26
4 0.0698 0.25 0.8297 0.0 V = 0.52, Cr = 0.26, P = 0.26
5 0.4693 0.25 0.6703 0.0 P = 1.00
6 0.272 0.25 0.548 0.0 O = 1.00
7 0.308 0.25 0.952 0.0 O = 1.00
8 0.953 0.25 0.952 0.0 O = 1.00
9 0.008 0.014 0.706 0.0 O = 1.00
10 0.499 0.026 0.78 0.0 O = 1.00
11 0.607 0.25 0.577 0.0 O = 1.00
12 0.665 0.25 0.07 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2234 0.25 0.2624
2 2 0.7992 0.25 0.4038
3 3 0.5 0.0 0.0
4 4 0.0698 0.25 0.8297
5 5 0.4693 0.25 0.6703
6 6 0.272 0.25 0.548
7 7 0.308 0.25 0.952
8 8 0.953 0.25 0.952
9 9 0.008 0.014 0.706
10 10 0.499 0.026 0.78
11 11 0.607 0.25 0.577
12 12 0.665 0.25 0.07
13 1 0.7766 0.75 0.7376
14 2 0.2008 0.75 0.5962
15 3 0.5 0.5 0.0
16 4 0.9302 0.75 0.1703
17 5 0.5307 0.75 0.3297
18 6 0.728 0.75 0.452
19 7 0.692 0.75 0.048
20 8 0.047 0.75 0.048
21 9 0.992 0.514 0.294
22 10 0.501 0.526 0.22
23 11 0.393 0.75 0.423
24 12 0.335 0.75 0.93
25 9 0.008 0.486 0.706
26 10 0.499 0.474 0.78
27 9 0.992 0.986 0.294
28 10 0.501 0.974 0.22
X-ray density (g/cm cub.) = 6.14
MU (1/cm) = 1020.62 Mass attenuation coefficient (cm**2/g) = 166.288
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.192 7
2.3908 6
3.0311 7
2.7468 8
2.4501 9
2.815 10
2.4501 9
2.815 10
2 Pb 3.192 10
2.8817 9
2.4959 11
2.7169 12
3.0028 6
3.0028 6
2.5641 9
2.7765 10
2.8817 9
2.5641 9
2.7765 10
3 Al ,Cu 2.856 6
2.0042 7
1.9335 10
1.8755 12
2.0042 7
1.8755 12
1.9335 10
4 V ,Cr ,P 2.676 4
1.756 7
1.6434 8
1.6973 9
1.6973 9
5 P 2.28 4
1.5053 6
1.5784 10
1.5704 11
1.5784 10
6 O 3.312 7
3.1788 9
2.4982 10
2.5152 11
2.8973 9
3.1788 9
2.4982 10
2.8973 9
7 O 3.312 10
2.7544 8
2.8601 9
2.7974 10
2.5688 12
2.7721 10
2.9102 12
2.9102 12
2.8601 9
2.7974 10
2.7721 10
8 O 3.312 8
2.7544 7
2.719 9
2.7923 12
3.0232 8
3.0232 8
3.2785 9
2.719 9
3.2785 9
9 O 3.312 9
3.1788 6
2.8601 7
2.719 8
3.192 11
2.8973 6
3.2785 8
2.9832 12
2.7291 9
3.0529 9
10 O 3.312 8
2.4982 6
2.7974 7
2.5826 11
2.7129 12
2.7721 7
2.6743 12
2.5903 10
3.1917 10
11 O 3.312 5
2.5152 6
3.192 9
2.5826 10
3.192 9
2.5826 10
12 OH 3.36 10
2.5688 7
2.7923 8
2.7129 10
2.9102 7
2.9102 7
2.9832 9
2.6743 10
2.7129 10
2.9832 9
2.6743 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 0 0 1 5.431 10.863 0.061 220.25 2 86.8 2490.9
2 1 0 0 6.145 12.291 0.069 171.56 2 32.4 269.9
3 1 0 -1 6.506 13.011 0.074 152.83 2 3.9 3.5
4 0 1 1 9.406 18.811 0.106 71.96 4 151.5 4955.3
5 1 0 1 9.633 19.266 0.109 68.5 2 76.0 594.3
6 1 1 0 9.84 19.68 0.111 65.56 4 27.3 146.9
7 1 1 -1 10.072 20.144 0.114 62.48 4 53.4 534.7
8 1 0 -2 10.327 20.653 0.116 59.33 2 39.7 140.1
9 0 0 2 10.913 21.825 0.123 52.91 2 92.1 672.9
10 2 0 -1 11.483 22.967 0.129 47.57 2 123.3 1085.4
11 1 1 1 12.35 24.701 0.139 40.85 4 139.3 2377.4
12 2 0 0 12.363 24.725 0.139 40.76 2 134.3 1103.7
13 1 1 -2 12.905 25.811 0.145 37.23 4 81.0 733.1
14 2 0 -2 13.097 26.195 0.147 36.09 2 101.3 556.3
15 0 1 2 13.385 26.769 0.15 34.47 4 145.4 2188.2
16 2 1 -1 13.86 27.719 0.155 32.02 4 302.8 8807.0
17 1 0 2 14.473 28.946 0.162 29.2 2 122.2 653.7
18 2 1 0 14.606 29.211 0.164 28.63 4 12.7 13.9
19 2 1 -2 15.24 30.48 0.171 26.14 4 193.9 2948.1
20 1 0 -3 15.269 30.537 0.171 26.04 2 296.4 3433.3
21 2 0 1 15.337 30.675 0.172 25.79 2 141.6 776.2
22 0 2 0 15.453 30.905 0.173 25.37 2 310.0 3657.9
23 0 2 1 16.425 32.849 0.184 22.24 4 127.1 1077.6
24 1 1 2 16.452 32.904 0.184 22.16 4 276.1 5072.2
25 0 0 3 16.497 32.994 0.184 22.03 2 92.5 283.1
26 2 0 -3 16.534 33.067 0.185 21.93 2 119.0 465.6
27 1 2 0 16.687 33.374 0.186 21.49 4 85.2 468.5
28 1 2 -1 16.83 33.66 0.188 21.1 4 74.6 352.6
29 1 1 -3 17.165 34.33 0.192 20.21 4 28.6 49.7
30 2 1 1 17.227 34.454 0.192 20.05 4 162.0 1579.8
31 3 0 -1 17.393 34.785 0.194 19.64 2 13.6 5.4
32 3 0 -2 17.803 35.607 0.198 18.66 2 41.6 48.5
33 0 1 3 18.28 36.56 0.204 17.61 4 19.0 19.1
34 2 1 -3 18.313 36.627 0.204 17.54 4 68.8 248.9
35 1 2 1 18.338 36.677 0.204 17.49 4 0.8 0.0
36 1 2 -2 18.731 37.463 0.208 16.69 4 84.7 359.1
37 3 0 0 18.732 37.465 0.208 16.69 2 162.6 662.1
38 0 2 2 19.078 38.155 0.212 16.03 4 56.4 152.8
39 3 1 -1 19.103 38.205 0.212 15.98 4 72.4 251.1
40 2 2 -1 19.427 38.854 0.216 15.4 4 66.7 205.5
41 3 1 -2 19.482 38.964 0.216 15.3 4 1.3 0.1
42 2 0 2 19.552 39.105 0.217 15.18 2 20.5 9.6
43 1 0 3 19.809 39.618 0.22 14.75 2 224.9 1119.2
44 3 0 -3 19.871 39.742 0.221 14.64 2 161.7 574.7
45 2 2 0 19.987 39.973 0.222 14.46 4 261.6 2969.9
46 3 1 0 20.346 40.691 0.226 13.9 4 26.6 29.4
47 2 2 -2 20.473 40.947 0.227 13.7 4 117.1 563.5
48 1 0 -4 20.66 41.32 0.229 13.43 2 75.1 113.7
49 2 0 -4 21.009 42.019 0.233 12.93 2 107.4 223.9
50 2 1 2 21.113 42.226 0.234 12.79 4 28.7 31.5
51 1 1 3 21.354 42.708 0.236 12.47 4 2.3 0.2
52 3 1 -3 21.413 42.825 0.237 12.39 4 24.4 22.1
53 1 2 2 21.427 42.853 0.237 12.38 4 64.4 153.9
54 3 0 1 21.544 43.087 0.238 12.23 2 172.4 545.0
55 1 2 -3 22.001 44.002 0.243 11.66 4 273.0 2609.2
56 2 2 1 22.051 44.103 0.244 11.6 4 80.6 226.1
57 1 1 -4 22.157 44.313 0.245 11.48 4 204.7 1443.9
58 0 0 4 22.248 44.496 0.246 11.37 2 57.3 56.0
59 2 1 -4 22.487 44.974 0.248 11.1 4 54.9 100.5
60 0 2 3 22.917 45.833 0.253 10.64 4 26.2 21.9
61 2 2 -3 22.944 45.889 0.253 10.61 4 171.1 931.7
62 3 1 1 22.993 45.987 0.254 10.56 4 145.8 673.8
63 3 0 -4 23.225 46.45 0.256 10.32 2 78.0 94.2
64 4 0 -2 23.464 46.927 0.258 10.08 2 218.2 720.3
65 3 2 -1 23.605 47.21 0.26 9.95 4 57.5 98.7
66 0 1 4 23.664 47.328 0.261 9.89 4 24.1 17.3
67 4 0 -1 23.733 47.466 0.261 9.83 2 59.2 51.6
68 3 2 -2 23.926 47.852 0.263 9.65 4 1.5 0.1
69 0 3 1 24.25 48.5 0.267 9.36 4 149.6 628.8
70 1 3 0 24.441 48.881 0.269 9.19 4 20.6 11.7
71 2 0 3 24.5 48.999 0.269 9.14 2 75.0 77.3
72 1 3 -1 24.545 49.09 0.27 9.1 4 52.6 75.6
73 4 0 -3 24.579 49.157 0.27 9.07 2 241.7 795.4
74 3 1 -4 24.597 49.195 0.27 9.06 4 237.1 1528.6
75 3 2 0 24.663 49.327 0.271 9.0 4 106.3 305.5
76 4 1 -2 24.826 49.652 0.273 8.87 4 149.5 595.3
77 4 1 -1 25.084 50.169 0.275 8.66 4 181.4 855.8
78 2 2 2 25.327 50.653 0.278 8.48 4 5.0 0.6
79 4 0 0 25.353 50.707 0.278 8.46 2 196.5 490.1
80 3 0 2 25.435 50.871 0.279 8.39 2 94.6 112.8
81 1 0 4 25.485 50.971 0.279 8.36 2 141.0 249.2
82 1 2 3 25.536 51.073 0.28 8.32 4 208.9 1089.3
83 3 2 -3 25.587 51.175 0.28 8.28 4 142.8 506.6
84 1 3 1 25.676 51.352 0.281 8.22 4 111.5 306.3
85 2 1 3 25.821 51.642 0.283 8.11 4 18.7 8.5
86 4 1 -3 25.897 51.794 0.284 8.06 4 19.4 9.1
87 1 3 -2 25.978 51.955 0.284 8.0 4 66.5 106.1
88 2 0 -5 26.134 52.267 0.286 7.89 2 24.8 7.3
89 1 2 -4 26.24 52.479 0.287 7.82 4 128.0 384.3
90 0 3 2 26.246 52.492 0.287 7.81 4 124.6 363.9
91 1 0 -5 26.388 52.777 0.289 7.72 2 84.6 83.0
92 2 3 -1 26.519 53.039 0.29 7.63 4 237.6 1293.2
93 2 2 -4 26.531 53.062 0.29 7.62 4 12.8 3.7
94 4 1 0 26.644 53.288 0.291 7.55 4 53.3 64.4
95 3 1 2 26.723 53.446 0.292 7.5 4 167.3 630.4
96 1 1 4 26.771 53.543 0.292 7.47 4 193.6 840.5
97 4 0 -4 26.95 53.9 0.294 7.36 2 43.0 20.4
98 2 3 0 26.962 53.923 0.294 7.35 4 12.3 3.3
99 3 2 1 26.981 53.961 0.294 7.34 4 215.4 1022.2
100 2 3 -2 27.351 54.701 0.298 7.11 4 166.2 589.5
101 2 1 -5 27.398 54.796 0.299 7.09 4 20.3 8.8
102 3 0 -5 27.513 55.026 0.3 7.02 2 144.8 220.7
103 0 2 4 27.579 55.158 0.301 6.98 4 32.8 22.5
104 1 1 -5 27.645 55.29 0.301 6.94 4 170.9 608.3
105 1 3 2 28.123 56.247 0.306 6.68 4 239.1 1145.8
106 4 0 1 28.154 56.309 0.306 6.66 2 5.1 0.3
107 4 1 -4 28.189 56.378 0.307 6.64 4 129.6 334.7
108 0 0 5 28.247 56.494 0.307 6.61 2 96.1 91.6
109 3 2 -4 28.419 56.838 0.309 6.52 4 14.6 4.2
110 1 3 -3 28.595 57.191 0.311 6.43 4 29.1 16.4
111 4 2 -2 28.626 57.252 0.311 6.42 4 194.1 725.2
112 2 3 1 28.637 57.274 0.311 6.41 4 119.9 276.8
113 3 1 -5 28.736 57.472 0.312 6.36 4 185.0 653.1
114 4 2 -1 28.86 57.721 0.313 6.3 4 90.9 156.0
115 0 3 3 29.358 58.717 0.318 6.06 4 24.9 11.2
116 4 1 1 29.36 58.72 0.318 6.06 4 20.0 7.3
117 2 3 -3 29.382 58.763 0.318 6.05 4 45.1 36.9
118 0 1 5 29.45 58.901 0.319 6.02 4 126.9 290.8
119 2 2 3 29.532 59.063 0.32 5.98 4 21.5 8.3
120 4 2 -3 29.601 59.203 0.321 5.95 4 173.2 535.8
121 5 0 -2 29.769 59.537 0.322 5.87 2 53.9 25.6
122 3 3 -1 29.939 59.878 0.324 5.8 4 66.2 76.4
123 2 0 4 29.99 59.98 0.324 5.78 2 103.7 93.3
124 3 0 3 30.133 60.265 0.326 5.72 2 232.1 462.3
125 3 3 -2 30.212 60.424 0.327 5.68 4 11.4 2.2
126 5 0 -3 30.224 60.449 0.327 5.68 2 16.9 2.4
127 4 2 0 30.287 60.573 0.327 5.65 4 78.4 104.2
128 3 2 2 30.36 60.719 0.328 5.62 4 130.3 286.5
129 4 0 -5 30.376 60.752 0.328 5.62 2 42.6 15.3
130 1 2 4 30.404 60.808 0.329 5.6 4 82.0 113.1
131 5 0 -1 30.496 60.993 0.329 5.57 2 98.7 81.3
132 3 3 0 30.844 61.688 0.333 5.43 4 20.3 6.7
133 5 1 -2 30.935 61.869 0.334 5.39 4 14.5 3.4
134 2 2 -5 30.983 61.966 0.334 5.37 4 16.3 4.3
135 2 1 4 31.151 62.302 0.336 5.31 4 87.0 120.6
136 1 2 -5 31.212 62.423 0.336 5.29 4 179.1 508.8
137 3 1 3 31.291 62.581 0.337 5.26 4 64.4 65.4
138 5 1 -3 31.38 62.761 0.338 5.22 4 20.3 6.4
139 2 3 2 31.418 62.836 0.338 5.21 4 28.2 12.4
140 1 0 5 31.523 63.045 0.339 5.17 2 83.9 54.6
141 4 1 -5 31.529 63.058 0.339 5.17 4 75.6 88.6
142 1 3 3 31.601 63.201 0.34 5.15 4 7.4 0.9
143 3 3 -3 31.645 63.29 0.341 5.13 4 15.5 3.7
144 5 1 -1 31.647 63.293 0.341 5.13 4 172.3 456.9
145 4 2 -4 31.717 63.434 0.341 5.1 4 32.9 16.5
146 2 0 -6 31.782 63.564 0.342 5.08 2 184.2 258.8
147 5 0 -4 31.834 63.667 0.342 5.06 2 22.1 3.7
148 4 0 2 31.938 63.877 0.343 5.03 2 36.6 10.1
149 0 4 0 32.2 64.401 0.346 4.94 2 338.5 849.0
150 1 3 -4 32.216 64.433 0.346 4.93 4 165.4 404.8
151 3 2 -5 32.228 64.455 0.346 4.93 4 41.8 25.9
152 5 0 0 32.361 64.721 0.347 4.89 2 133.9 131.5
153 2 3 -4 32.473 64.946 0.349 4.85 4 50.3 36.8
154 1 0 -6 32.489 64.978 0.349 4.84 2 142.3 147.2
155 3 0 -6 32.533 65.066 0.349 4.83 2 160.1 185.8
156 1 1 5 32.652 65.305 0.35 4.79 4 113.1 184.1
157 0 4 1 32.767 65.534 0.351 4.76 4 65.7 61.6
158 4 2 1 32.812 65.623 0.352 4.74 4 41.1 24.0
159 3 3 1 32.871 65.741 0.352 4.72 4 133.1 251.2
160 0 2 5 32.896 65.793 0.353 4.72 4 53.1 39.8
161 2 1 -6 32.907 65.814 0.353 4.71 4 30.6 13.3
162 1 4 0 32.924 65.848 0.353 4.71 4 30.8 13.4
163 5 1 -4 32.958 65.915 0.353 4.7 4 101.6 145.5
164 1 4 -1 33.011 66.021 0.354 4.68 4 0.5 0.0
165 4 1 2 33.06 66.121 0.354 4.67 4 56.6 44.8
166 0 3 4 33.403 66.807 0.357 4.57 4 25.1 8.7
167 5 1 0 33.475 66.951 0.358 4.54 4 106.2 153.9
168 1 1 -6 33.601 67.202 0.359 4.51 4 18.8 4.8
169 3 1 -6 33.644 67.289 0.36 4.5 4 87.8 104.0
170 1 4 1 33.955 67.909 0.363 4.41 4 59.9 47.5
171 3 3 -4 34.157 68.314 0.364 4.36 4 219.3 628.8
172 1 4 -2 34.21 68.42 0.365 4.34 4 31.9 13.3
173 5 2 -2 34.296 68.593 0.366 4.32 4 15.3 3.0
174 4 3 -2 34.343 68.687 0.366 4.31 4 131.6 224.0
175 0 4 2 34.438 68.875 0.367 4.28 4 63.0 51.0
176 2 2 4 34.501 69.003 0.368 4.27 4 172.8 382.3
177 5 0 -5 34.507 69.015 0.368 4.27 2 130.7 109.3
178 4 3 -1 34.555 69.11 0.368 4.25 4 172.6 380.5
179 0 0 6 34.606 69.212 0.369 4.24 2 146.7 136.9
180 3 2 3 34.634 69.268 0.369 4.23 4 208.3 551.6
181 2 4 -1 34.67 69.341 0.369 4.23 4 89.9 102.5
182 4 0 -6 34.691 69.382 0.369 4.22 2 1.3 0.0
183 5 2 -3 34.719 69.438 0.37 4.21 4 14.5 2.7
184 4 2 -5 34.86 69.72 0.371 4.18 4 76.0 72.3
185 5 2 -1 34.972 69.944 0.372 4.15 4 31.3 12.2
186 2 4 0 35.049 70.099 0.373 4.13 4 116.5 168.4
187 2 3 3 35.165 70.329 0.374 4.11 4 26.4 8.6
188 4 3 -3 35.228 70.456 0.374 4.09 4 27.7 9.4
189 5 0 1 35.266 70.532 0.375 4.08 2 168.2 173.3
190 2 4 -2 35.385 70.769 0.376 4.05 4 89.4 97.4
191 3 0 4 35.515 71.031 0.377 4.03 2 57.4 19.9
192 5 1 -5 35.589 71.178 0.378 4.01 4 97.8 115.1
193 0 1 6 35.686 71.372 0.379 3.99 4 1.8 0.0
194 4 1 -6 35.77 71.541 0.379 3.97 4 3.8 0.2
195 4 3 0 35.855 71.71 0.38 3.95 4 45.7 24.8
196 3 3 2 35.922 71.844 0.381 3.94 4 147.0 255.4
197 1 2 5 35.931 71.862 0.381 3.93 4 7.5 0.7
198 1 3 4 35.962 71.925 0.381 3.93 4 183.0 394.9
199 2 0 5 36.009 72.019 0.382 3.92 2 68.1 27.3
200 1 4 2 36.056 72.112 0.382 3.91 4 96.2 108.6
201 2 2 -6 36.175 72.349 0.383 3.88 4 138.5 223.6
202 5 2 -4 36.223 72.446 0.384 3.87 4 73.0 61.9
203 4 2 2 36.321 72.643 0.384 3.85 4 42.4 20.8
204 5 1 1 36.338 72.675 0.385 3.85 4 144.2 240.1
205 1 4 -3 36.47 72.94 0.386 3.82 4 228.8 600.8
206 2 3 -5 36.496 72.991 0.386 3.82 4 13.1 2.0
207 2 4 1 36.507 73.013 0.386 3.82 4 106.3 129.3
208 4 0 3 36.569 73.139 0.387 3.8 2 83.0 39.3
209 3 1 4 36.584 73.168 0.387 3.8 4 90.4 93.2
210 6 0 -3 36.673 73.347 0.388 3.78 2 110.3 69.0
211 1 3 -5 36.707 73.414 0.388 3.78 4 148.5 249.7
212 6 0 -2 36.715 73.43 0.388 3.77 2 127.8 92.5
213 5 2 0 36.719 73.439 0.388 3.77 4 168.6 321.8
214 1 2 -6 36.84 73.681 0.389 3.75 4 109.6 135.3
215 3 2 -6 36.882 73.764 0.39 3.74 4 176.5 349.9
216 2 1 5 37.072 74.144 0.391 3.71 4 130.2 188.6
217 0 4 3 37.144 74.288 0.392 3.69 4 69.0 52.7
218 2 4 -3 37.165 74.329 0.392 3.69 4 96.5 103.1
219 4 3 -4 37.175 74.351 0.392 3.69 4 115.6 147.8
220 4 1 3 37.626 75.252 0.396 3.61 4 74.0 59.4
221 3 3 -5 37.65 75.301 0.397 3.6 4 169.4 310.2
222 3 4 -1 37.661 75.323 0.397 3.6 4 11.8 1.5
223 6 0 -4 37.698 75.397 0.397 3.59 2 77.5 32.4
224 6 1 -3 37.729 75.458 0.397 3.59 4 124.9 168.1
225 6 1 -2 37.77 75.54 0.398 3.58 4 133.7 192.1
226 6 0 -1 37.821 75.643 0.398 3.57 2 39.0 8.1
227 3 4 -2 37.906 75.812 0.399 3.56 4 38.6 15.9
228 2 0 -7 37.981 75.961 0.399 3.55 2 44.7 10.7
229 1 0 6 38.027 76.054 0.4 3.54 2 46.9 11.7
230 5 0 -6 38.15 76.3 0.401 3.52 2 205.9 223.9
231 4 3 1 38.197 76.393 0.401 3.51 4 31.4 10.4
232 3 0 -7 38.23 76.46 0.402 3.51 2 56.2 16.6
233 0 3 5 38.276 76.552 0.402 3.5 4 121.6 155.2
234 3 4 0 38.475 76.95 0.404 3.47 4 133.0 184.0
235 6 1 -4 38.744 77.489 0.406 3.43 4 210.3 455.0
236 5 2 -5 38.759 77.517 0.406 3.42 4 207.5 442.6
237 0 2 6 38.853 77.706 0.407 3.41 4 170.2 296.5
238 6 1 -1 38.866 77.733 0.407 3.41 4 105.6 114.0
239 4 2 -6 38.935 77.869 0.408 3.4 4 35.7 13.0
240 2 4 2 38.995 77.991 0.408 3.39 4 2.3 0.1
241 2 1 -7 39.024 78.049 0.409 3.39 4 127.8 165.9
242 1 1 6 39.07 78.14 0.409 3.38 4 12.1 1.5
243 1 0 -7 39.08 78.16 0.409 3.38 2 13.2 0.9
244 5 0 2 39.123 78.246 0.41 3.37 2 51.0 13.1
245 1 4 3 39.162 78.323 0.41 3.37 4 166.2 279.0
246 5 1 -6 39.192 78.385 0.41 3.36 4 49.6 24.8
247 3 4 -3 39.202 78.404 0.41 3.36 4 110.9 124.0
248 3 1 -7 39.272 78.543 0.411 3.35 4 124.8 156.7
249 5 2 1 39.486 78.971 0.413 3.32 4 116.2 134.6
250 5 3 -2 39.596 79.192 0.414 3.31 4 20.2 4.0
251 1 4 -4 39.725 79.449 0.415 3.29 4 63.7 40.0
252 3 2 4 39.726 79.451 0.415 3.29 4 97.4 93.6
253 6 0 -5 39.762 79.523 0.415 3.29 2 124.2 76.0
254 2 3 4 39.79 79.581 0.415 3.28 4 78.5 60.6
255 4 0 -7 39.82 79.64 0.416 3.28 2 23.6 2.7
256 3 3 3 39.916 79.833 0.417 3.27 4 53.2 27.8
257 2 4 -4 39.961 79.921 0.417 3.26 4 71.6 50.1
258 6 0 0 39.963 79.927 0.417 3.26 2 4.4 0.1
259 5 3 -3 39.997 79.995 0.417 3.26 4 21.3 4.4
260 1 1 -7 40.115 80.23 0.418 3.24 4 60.8 35.9
261 4 3 -5 40.131 80.263 0.418 3.24 4 61.8 37.2
262 5 1 2 40.158 80.316 0.419 3.24 4 175.4 298.6
263 2 2 5 40.201 80.402 0.419 3.23 4 99.1 95.2
264 5 3 -1 40.238 80.476 0.419 3.23 4 151.0 220.8
265 3 4 1 40.327 80.654 0.42 3.21 4 135.6 177.5
266 4 2 3 40.742 81.485 0.424 3.17 4 120.0 136.9
267 6 1 -5 40.793 81.585 0.424 3.16 4 65.1 40.2
268 0 4 4 40.821 81.641 0.424 3.16 4 37.8 13.5
269 6 2 -3 40.843 81.686 0.425 3.16 4 153.1 222.1
270 4 1 -7 40.851 81.701 0.425 3.15 4 139.3 183.6
271 6 2 -2 40.883 81.766 0.425 3.15 4 119.8 135.6
272 6 1 0 40.993 81.986 0.426 3.14 4 33.8 10.8
273 1 3 5 41.155 82.309 0.427 3.12 4 106.5 106.3
274 2 3 -6 41.388 82.777 0.429 3.1 4 24.5 5.6
275 5 3 -4 41.435 82.87 0.43 3.09 4 83.4 64.6
276 0 0 7 41.497 82.995 0.43 3.09 2 112.3 58.4
277 3 4 -4 41.523 83.047 0.43 3.08 4 59.6 32.9
278 4 3 2 41.529 83.059 0.43 3.08 4 53.4 26.4
279 3 0 5 41.603 83.206 0.431 3.08 2 55.0 14.0
280 4 4 -2 41.698 83.396 0.432 3.07 4 165.2 251.2
281 6 2 -4 41.838 83.676 0.433 3.05 4 16.4 2.5
282 4 4 -1 41.897 83.794 0.433 3.05 4 44.1 17.8
283 5 3 0 41.913 83.825 0.434 3.05 4 94.3 81.3
284 6 2 -1 41.958 83.916 0.434 3.04 4 6.1 0.3
285 4 0 4 42.016 84.032 0.434 3.04 2 133.9 81.7
286 1 3 -6 42.029 84.058 0.435 3.04 4 25.9 6.1
287 3 3 -6 42.069 84.139 0.435 3.03 4 88.4 71.1
288 2 2 -7 42.113 84.227 0.435 3.03 4 79.5 57.4
289 1 2 6 42.158 84.317 0.436 3.02 4 71.4 46.2
290 5 2 -6 42.279 84.557 0.437 3.01 4 175.9 279.7
291 0 5 1 42.283 84.566 0.437 3.01 4 100.3 91.0
292 3 2 -7 42.357 84.713 0.437 3.01 4 57.2 29.5
293 1 5 0 42.427 84.854 0.438 3.0 4 16.1 2.3
294 2 4 3 42.472 84.943 0.438 3.0 4 62.3 34.9
295 1 5 -1 42.506 85.012 0.439 2.99 4 35.2 11.2
296 0 1 7 42.52 85.04 0.439 2.99 4 212.2 404.5
297 4 4 -3 42.532 85.063 0.439 2.99 4 196.9 348.2
298 3 1 5 42.625 85.251 0.44 2.98 4 27.8 6.9
299 2 0 6 42.669 85.338 0.44 2.98 2 226.1 228.7
300 5 0 -7 42.714 85.428 0.44 2.98 2 11.7 0.6
301 6 0 -6 42.829 85.658 0.441 2.97 2 50.1 11.2
302 4 1 4 43.037 86.074 0.443 2.95 4 142.4 179.5
303 6 0 1 43.108 86.215 0.444 2.95 2 32.6 4.7
304 4 4 0 43.126 86.252 0.444 2.94 4 149.1 196.4
305 1 2 -7 43.188 86.376 0.444 2.94 4 9.2 0.7
306 3 4 2 43.19 86.38 0.444 2.94 4 69.2 42.2
307 1 4 4 43.229 86.457 0.445 2.94 4 113.0 112.6
308 5 2 2 43.231 86.461 0.445 2.94 4 10.4 1.0
309 1 5 1 43.377 86.754 0.446 2.93 4 98.3 84.9
310 1 5 -2 43.614 87.229 0.448 2.91 4 67.9 40.2
311 2 1 6 43.688 87.376 0.448 2.9 4 20.9 3.8
312 5 1 -7 43.733 87.466 0.449 2.9 4 152.1 201.4
313 2 4 -5 43.738 87.475 0.449 2.9 4 14.1 1.7
314 0 5 2 43.827 87.654 0.449 2.9 4 102.5 91.3
315 6 1 -6 43.848 87.696 0.45 2.89 4 20.7 3.7
316 6 2 -5 43.858 87.716 0.45 2.89 4 85.3 63.2
317 5 3 -5 43.892 87.784 0.45 2.89 4 85.1 62.8
318 5 0 3 43.903 87.805 0.45 2.89 2 89.5 34.7
319 4 2 -7 43.915 87.831 0.45 2.89 4 11.4 1.1
320 1 4 -5 43.94 87.88 0.45 2.89 4 79.9 55.3
321 0 3 6 43.984 87.968 0.451 2.89 4 1.1 0.0
322 7 0 -3 44.022 88.045 0.451 2.88 2 48.2 10.0
323 2 5 -1 44.044 88.089 0.451 2.88 4 215.1 400.1
324 6 2 0 44.057 88.113 0.451 2.88 4 74.3 47.7
325 4 3 -6 44.064 88.128 0.451 2.88 4 0.1 0.0
326 6 1 1 44.126 88.252 0.452 2.88 4 54.1 25.2
327 4 4 -4 44.39 88.781 0.454 2.86 4 27.0 6.3
328 2 5 0 44.4 88.8 0.454 2.86 4 11.1 1.1
329 7 0 -2 44.497 88.993 0.455 2.85 2 122.2 63.9
330 7 0 -4 44.575 89.15 0.456 2.85 2 26.3 3.0
331 5 3 1 44.604 89.208 0.456 2.85 4 129.0 142.3
332 3 0 -8 44.69 89.38 0.457 2.84 2 78.0 26.0
333 2 5 -2 44.716 89.432 0.457 2.84 4 136.4 158.7
334 3 3 4 44.84 89.679 0.458 2.84 4 74.7 47.5
335 3 4 -5 44.849 89.698 0.458 2.84 4 114.7 112.0
336 2 0 -8 44.882 89.764 0.458 2.83 2 135.2 77.8
337 5 1 3 44.92 89.84 0.458 2.83 4 23.8 4.8
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 5.431 10.863 8.13776 2490.9 28.3 28.6 5.6
2 1 0 0 6.145 12.291 7.19554 269.9 3.1 3.1 5.6
3 0 1 1 9.406 18.811 4.7134 4955.3 56.3 56.6 5.6
4 1 0 1 9.633 19.266 4.60322 594.3 6.7 6.8 5.6
5 1 1 0 9.84 19.68 4.50716 146.9 1.7 1.7 5.6
6 1 1 -1 10.072 20.144 4.40447 534.7 6.1 6.1 5.6
7 1 0 -2 10.327 20.653 4.29698 140.1 1.6 1.6 5.6
8 0 0 2 10.913 21.825 4.06888 672.9 7.6 7.7 5.6
9 2 0 -1 11.483 22.967 3.86912 1085.4 12.3 12.4 5.6
10 1 1 1 12.35 24.701 3.6013 3481.1 39.5 39.6 5.6
11 1 1 -2 12.905 25.811 3.44887 733.1 8.3 8.3 5.6
12 2 0 -2 13.097 26.195 3.39922 556.3 6.3 6.3 5.6
13 0 1 2 13.385 26.769 3.32754 2188.2 24.8 24.9 5.6
14 2 1 -1 13.86 27.719 3.21559 8807.0 100.0 100.0 5.6
15 1 0 2 14.473 28.946 3.08207 653.7 7.4 7.4 5.6
16 2 1 -2 15.24 30.48 2.93034 2948.1 33.5 33.4 5.6
17 1 0 -3 15.269 30.537 2.92499 3433.3 39.0 38.9 5.6
18 2 0 1 15.337 30.675 2.91218 776.2 8.8 8.8 5.6
19 0 2 0 15.453 30.905 2.891 3657.9 41.5 41.4 5.6
20 1 1 2 16.452 32.904 2.7198 6149.8 69.8 69.5 5.6
21 0 0 3 16.497 32.994 2.71259 283.1 3.2 3.2 5.6
22 2 0 -3 16.534 33.067 2.70675 465.6 5.3 5.3 5.6
23 1 2 0 16.687 33.374 2.68258 468.5 5.3 5.3 5.7
24 1 2 -1 16.83 33.66 2.66044 352.6 4.0 4.0 5.7
25 2 1 1 17.227 34.454 2.60091 1579.8 17.9 17.8 5.7
26 2 1 -3 18.313 36.627 2.45143 249.0 2.8 2.8 5.7
27 3 0 0 18.732 37.465 2.39851 1021.2 11.6 11.5 5.7
28 3 1 -1 19.103 38.205 2.35373 403.9 4.6 4.5 5.7
29 2 2 -1 19.427 38.854 2.31591 205.5 2.3 2.3 5.7
30 1 0 3 19.809 39.618 2.273 1119.2 12.7 12.6 5.7
31 3 0 -3 19.871 39.742 2.26615 574.7 6.5 6.5 5.7
32 2 2 0 19.987 39.973 2.25358 2969.9 33.7 33.4 5.7
33 2 2 -2 20.473 40.947 2.20224 563.5 6.4 6.3 5.7
34 1 0 -4 20.66 41.32 2.18318 113.7 1.3 1.3 5.7
35 2 0 -4 21.009 42.019 2.14849 223.9 2.5 2.5 5.7
36 1 2 2 21.427 42.853 2.10856 175.9 2.0 2.0 5.7
37 3 0 1 21.544 43.087 2.09767 545.0 6.2 6.1 5.7
38 1 2 -3 22.001 44.002 2.05616 2609.2 29.6 29.2 5.7
39 2 2 1 22.051 44.103 2.05169 226.1 2.6 2.5 5.7
40 1 1 -4 22.157 44.313 2.04243 1443.9 16.4 16.1 5.7
41 2 1 -4 22.487 44.974 2.01395 100.5 1.1 1.1 5.7
42 2 2 -3 22.944 45.889 1.97589 953.6 10.8 10.6 5.7
43 3 1 1 22.993 45.987 1.97191 673.8 7.7 7.5 5.7
44 3 0 -4 23.225 46.45 1.95331 94.2 1.1 1.1 5.7
45 4 0 -2 23.464 46.927 1.93456 720.3 8.2 8.0 5.7
46 3 2 -1 23.605 47.21 1.92365 98.7 1.1 1.1 5.7
47 0 3 1 24.25 48.5 1.87545 628.8 7.1 7.0 5.7
48 3 1 -4 24.597 49.195 1.85056 2324.0 26.4 25.8 5.7
49 3 2 0 24.663 49.327 1.84593 305.5 3.5 3.4 5.7
50 4 1 -2 24.826 49.652 1.83459 595.3 6.8 6.6 5.7
51 4 1 -1 25.084 50.169 1.81691 855.8 9.7 9.5 5.7
52 4 0 0 25.353 50.707 1.79888 490.1 5.6 5.4 5.8
53 3 0 2 25.435 50.871 1.79346 112.8 1.3 1.3 5.8
54 1 0 4 25.485 50.971 1.79019 249.2 2.8 2.8 5.8
55 1 2 3 25.536 51.073 1.78685 1089.3 12.4 12.1 5.8
56 3 2 -3 25.587 51.175 1.78352 506.6 5.8 5.6 5.8
57 1 3 1 25.676 51.352 1.7778 306.3 3.5 3.4 5.8
58 1 3 -2 25.978 51.955 1.75854 106.1 1.2 1.2 5.8
59 1 2 -4 26.24 52.479 1.74221 748.2 8.5 8.3 5.8
60 2 3 -1 26.519 53.039 1.72515 1297.0 14.7 14.4 5.8
61 3 1 2 26.723 53.446 1.71295 630.4 7.2 7.0 5.8
62 1 1 4 26.771 53.543 1.7101 840.5 9.5 9.3 5.8
63 3 2 1 26.981 53.961 1.69782 1022.2 11.6 11.3 5.8
64 2 3 -2 27.351 54.701 1.67659 589.5 6.7 6.5 5.8
65 3 0 -5 27.513 55.026 1.66745 220.7 2.5 2.4 5.8
66 1 1 -5 27.645 55.29 1.66012 608.3 6.9 6.7 5.8
67 1 3 2 28.123 56.247 1.63413 1145.8 13.0 12.6 5.8
68 4 1 -4 28.189 56.378 1.63062 334.7 3.8 3.7 5.8
69 0 0 5 28.247 56.494 1.62755 91.6 1.0 1.0 5.8
70 4 2 -2 28.626 57.252 1.60779 1002.0 11.4 11.0 5.8
71 3 1 -5 28.736 57.472 1.60215 653.1 7.4 7.2 5.8
72 4 2 -1 28.86 57.721 1.59585 156.0 1.8 1.7 5.8
73 0 1 5 29.45 58.901 1.56667 290.8 3.3 3.2 5.8
74 4 2 -3 29.601 59.203 1.55939 535.8 6.1 5.9 5.8
75 2 0 4 29.99 59.98 1.54103 93.3 1.1 1.0 5.8
76 3 0 3 30.133 60.265 1.53441 462.3 5.2 5.1 5.8
77 4 2 0 30.287 60.573 1.52735 104.2 1.2 1.1 5.8
78 3 2 2 30.36 60.719 1.52402 301.8 3.4 3.3 5.8
79 1 2 4 30.404 60.808 1.52201 113.1 1.3 1.2 5.8
80 2 1 4 31.151 62.302 1.48905 120.6 1.4 1.3 5.8
81 1 2 -5 31.212 62.423 1.48645 508.8 5.8 5.6 5.8
82 4 1 -5 31.529 63.058 1.47301 143.2 1.6 1.6 5.9
83 5 1 -1 31.647 63.293 1.4681 460.7 5.2 5.0 5.9
84 2 0 -6 31.782 63.564 1.46249 258.8 2.9 2.8 5.9
85 0 4 0 32.2 64.401 1.4455 1279.7 14.5 13.9 5.9
86 5 0 0 32.361 64.721 1.43911 131.5 1.5 1.4 5.9
87 1 0 -6 32.489 64.978 1.43405 184.0 2.1 2.0 5.9
88 3 0 -6 32.533 65.066 1.43233 185.8 2.1 2.0 5.9
89 1 1 5 32.652 65.305 1.42765 184.1 2.1 2.0 5.9
90 3 3 1 32.871 65.741 1.41923 291.1 3.3 3.2 5.9
91 5 1 -4 32.958 65.915 1.41591 145.5 1.7 1.6 5.9
92 5 1 0 33.475 66.951 1.3965 153.9 1.7 1.7 5.9
93 3 1 -6 33.644 67.289 1.3903 104.0 1.2 1.1 5.9
94 3 3 -4 34.157 68.314 1.37192 628.8 7.1 6.8 5.9
95 4 3 -2 34.343 68.687 1.36538 224.0 2.5 2.4 5.9
96 2 2 4 34.501 69.003 1.3599 491.6 5.6 5.3 5.9
97 4 3 -1 34.555 69.11 1.35804 380.5 4.3 4.1 5.9
98 3 2 3 34.634 69.268 1.35534 688.5 7.8 7.4 5.9
99 2 4 -1 34.67 69.341 1.35409 102.5 1.2 1.1 5.9
100 2 4 0 35.049 70.099 1.34129 168.4 1.9 1.8 5.9
101 5 0 1 35.266 70.532 1.33411 173.3 2.0 1.9 5.9
102 2 4 -2 35.385 70.769 1.33022 97.4 1.1 1.0 5.9
103 5 1 -5 35.589 71.178 1.32358 115.1 1.3 1.2 5.9
104 3 3 2 35.922 71.844 1.31295 256.0 2.9 2.8 5.9
105 1 3 4 35.962 71.925 1.31166 394.9 4.5 4.2 5.9
106 1 4 2 36.056 72.112 1.30871 108.6 1.2 1.2 5.9
107 2 2 -6 36.175 72.349 1.30501 223.6 2.5 2.4 5.9
108 5 1 1 36.338 72.675 1.29996 260.9 3.0 2.8 6.0
109 1 4 -3 36.47 72.94 1.29589 602.8 6.8 6.5 6.0
110 2 4 1 36.507 73.013 1.29477 129.3 1.5 1.4 6.0
111 3 1 4 36.584 73.168 1.29241 132.5 1.5 1.4 6.0
112 5 2 0 36.719 73.439 1.28831 664.0 7.5 7.1 6.0
113 1 2 -6 36.84 73.681 1.28468 135.3 1.5 1.4 6.0
114 3 2 -6 36.882 73.764 1.28344 349.9 4.0 3.7 6.0
115 2 1 5 37.072 74.144 1.27779 188.6 2.1 2.0 6.0
116 2 4 -3 37.165 74.329 1.27507 303.6 3.4 3.2 6.0
117 3 3 -5 37.65 75.301 1.26101 371.0 4.2 4.0 6.0
118 6 1 -3 37.729 75.458 1.25877 168.1 1.9 1.8 6.0
119 6 1 -2 37.77 75.54 1.25761 192.1 2.2 2.0 6.0
120 5 0 -6 38.15 76.3 1.24697 223.9 2.5 2.4 6.0
121 0 3 5 38.276 76.552 1.24349 155.2 1.8 1.7 6.0
122 3 4 0 38.475 76.95 1.23805 184.0 2.1 2.0 6.0
123 6 1 -4 38.744 77.489 1.23078 897.6 10.2 9.5 6.0
124 0 2 6 38.853 77.706 1.22788 410.5 4.7 4.4 6.0
125 2 1 -7 39.024 78.049 1.22334 165.9 1.9 1.8 6.0
126 1 4 3 39.162 78.323 1.21974 279.0 3.2 3.0 6.0
127 3 4 -3 39.202 78.404 1.21868 148.8 1.7 1.6 6.0
128 3 1 -7 39.272 78.543 1.21688 156.7 1.8 1.7 6.0
129 5 2 1 39.486 78.971 1.21135 134.6 1.5 1.4 6.0
130 3 2 4 39.726 79.451 1.20524 133.6 1.5 1.4 6.0
131 6 0 -5 39.762 79.523 1.20432 136.6 1.6 1.4 6.0
132 5 1 2 40.158 80.316 1.19442 371.7 4.2 3.9 6.0
133 2 2 5 40.201 80.402 1.19336 95.2 1.1 1.0 6.0
134 5 3 -1 40.238 80.476 1.19245 220.8 2.5 2.3 6.0
135 3 4 1 40.327 80.654 1.19026 177.5 2.0 1.9 6.1
136 4 2 3 40.742 81.485 1.18022 136.9 1.6 1.4 6.1
137 6 2 -3 40.843 81.686 1.17782 405.7 4.6 4.3 6.1
138 6 2 -2 40.883 81.766 1.17687 135.6 1.5 1.4 6.1
139 1 3 5 41.155 82.309 1.17047 106.3 1.2 1.1 6.1
140 0 0 7 41.497 82.995 1.16254 91.3 1.0 1.0 6.1
141 4 4 -2 41.698 83.396 1.15795 251.2 2.9 2.6 6.1
142 5 3 0 41.913 83.825 1.15312 99.1 1.1 1.0 6.1
143 5 2 -6 42.279 84.557 1.145 370.7 4.2 3.9 6.1
144 4 4 -3 42.532 85.063 1.13947 763.8 8.7 8.0 6.1
145 2 0 6 42.669 85.338 1.1365 228.7 2.6 2.4 6.1
146 4 1 4 43.037 86.074 1.12867 179.5 2.0 1.9 6.1
147 4 4 0 43.126 86.252 1.12679 201.1 2.3 2.1 6.1
148 1 4 4 43.229 86.457 1.12464 113.5 1.3 1.2 6.1
149 5 1 -7 43.733 87.466 1.11425 203.1 2.3 2.1 6.2
150 0 5 2 43.827 87.654 1.11235 95.0 1.1 1.0 6.2
151 5 3 -5 43.892 87.784 1.11103 98.6 1.1 1.0 6.2
152 2 5 -1 44.044 88.089 1.10797 457.8 5.2 4.7 6.2
153 5 3 1 44.604 89.208 1.09695 145.2 1.6 1.5 6.2
154 2 5 -2 44.716 89.432 1.09478 184.7 2.1 1.9 6.2
155 3 4 -5 44.849 89.698 1.09223 159.5 1.8 1.6 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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