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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ASHBURTONITE
1
HPb(4)Cu(4)O(12)[HCO(3)](4)(OH)(4)Cl
Tetragonal I 4/m Z = 2
R =0.035 NR =762
5 .2 .1993
Ref.Str.:
Grice J.D., Nickel E.H., Gault R.A. (1991)
* Amer. Mineral., 76, 1701-1707
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.234 alpha = 90.0
b = 14.234 beta = 90.0
c = 6.103 gamma = 90.0
Unit cell volume (cub. angs.) = 1236.51
Molar volume ( cub.cm/mol.) = 372.4
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2132 0.0377 0.0 1.33 Pb = 1.00
2 0.25 0.25 0.25 1.22 Cu = 1.00
3 0.1167 0.1064 0.5 0.77 Si = 1.00
4 0.438 0.859 0.0 4.6 C = 1.00
5 0.1637 0.1455 0.7245 1.1 O = 1.00
6 0.3027 0.1805 0.0 1.0 O = 1.00
7 0.0062 0.1305 0.5 1.9 O = 1.00
8 0.3505 0.8641 0.0 6.4 O = 1.00
9 0.4839 0.8556 0.1782 8.0 O = 1.00
10 0.0 0.0 0.0 1.8 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2132 0.0377 0.0
2 2 0.25 0.25 0.25
3 3 0.1167 0.1064 0.5
4 4 0.438 0.859 0.0
5 5 0.1637 0.1455 0.7245
6 6 0.3027 0.1805 0.0
7 7 0.0062 0.1305 0.5
8 8 0.3505 0.8641 0.0
9 9 0.4839 0.8556 0.1782
10 10 0.0 0.0 0.0
11 1 0.9623 0.2132 0.0
12 1 0.7868 0.9623 0.0
13 1 0.0377 0.7868 0.0
14 2 0.75 0.25 0.25
15 2 0.75 0.75 0.25
16 2 0.25 0.75 0.25
17 3 0.8936 0.1167 0.5
18 3 0.8833 0.8936 0.5
19 3 0.1064 0.8833 0.5
20 4 0.141 0.438 0.0
21 4 0.562 0.141 0.0
22 4 0.859 0.562 0.0
23 5 0.8545 0.1637 0.7245
24 5 0.8363 0.8545 0.7245
25 5 0.1455 0.8363 0.7245
26 6 0.8195 0.3027 0.0
27 6 0.6973 0.8195 0.0
28 6 0.1805 0.6973 0.0
29 7 0.8695 0.0062 0.5
30 7 0.9938 0.8695 0.5
31 7 0.1305 0.9938 0.5
32 8 0.1359 0.3505 0.0
33 8 0.6495 0.1359 0.0
34 8 0.8641 0.6495 0.0
35 9 0.1444 0.4839 0.1782
36 9 0.5161 0.1444 0.1782
37 9 0.8556 0.5161 0.1782
38 1 0.2868 0.4623 0.5
39 2 0.25 0.25 0.75
40 3 0.3833 0.3936 0.0
41 4 0.062 0.641 0.5
42 5 0.3363 0.3545 0.2245
43 6 0.1973 0.3195 0.5
44 7 0.4938 0.3695 0.0
45 8 0.1495 0.6359 0.5
46 9 0.0161 0.6444 0.6782
47 10 0.5 0.5 0.5
48 1 0.5377 0.2868 0.5
49 1 0.7132 0.5377 0.5
50 1 0.4623 0.7132 0.5
51 2 0.75 0.25 0.75
52 2 0.75 0.75 0.75
53 2 0.25 0.75 0.75
54 3 0.6064 0.3833 0.0
55 3 0.6167 0.6064 0.0
56 3 0.3936 0.6167 0.0
57 4 0.359 0.062 0.5
58 4 0.938 0.359 0.5
59 4 0.641 0.938 0.5
60 5 0.6455 0.3363 0.2245
61 5 0.6637 0.6455 0.2245
62 5 0.3545 0.6637 0.2245
63 6 0.6805 0.1973 0.5
64 6 0.8027 0.6805 0.5
65 6 0.3195 0.8027 0.5
66 7 0.6305 0.4938 0.0
67 7 0.5062 0.6305 0.0
68 7 0.3695 0.5062 0.0
69 8 0.3641 0.1495 0.5
70 8 0.8505 0.3641 0.5
71 8 0.6359 0.8505 0.5
72 9 0.3556 0.0161 0.6782
73 9 0.9839 0.3556 0.6782
74 9 0.6444 0.9839 0.6782
75 5 0.1637 0.1455 0.2755
76 9 0.4839 0.8556 0.8218
77 5 0.8545 0.1637 0.2755
78 5 0.8363 0.8545 0.2755
79 5 0.1455 0.8363 0.2755
80 9 0.1444 0.4839 0.8218
81 9 0.5161 0.1444 0.8218
82 9 0.8556 0.5161 0.8218
83 5 0.3363 0.3545 0.7755
84 9 0.0161 0.6444 0.3218
85 5 0.6455 0.3363 0.7755
86 5 0.6637 0.6455 0.7755
87 5 0.3545 0.6637 0.7755
88 9 0.3556 0.0161 0.3218
89 9 0.9839 0.3556 0.3218
90 9 0.6444 0.9839 0.3218
X-ray density (g/cm cub.) = 4.64
MU (1/cm) = 595.17 Mass attenuation coefficient (cm**2/g) = 128.369
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.684 11
2.3828 5
2.3988 6
3.1505 8
3.0818 10
3.4603 5
3.3298 7
3.3298 7
2.839 9
2.3828 5
3.4603 5
2.839 9
2 Cu 3.348 6
1.967 6
2.648 8
1.9354 5
1.967 6
2.648 8
1.9354 5
3 Si 2.64 4
1.6231 5
1.6098 7
1.6147 7
1.6231 5
4 C 2.412 3
1.2476 8
1.2696 9
1.2696 9
5 O 3.804 10
2.6438 6
2.636 7
3.542 10
2.6006 7
3.3909 8
2.8706 6
3.165 8
3.3066 9
3.3628 5
2.7402 5
6 O 3.804 11
2.6438 5
3.39 8
3.267 9
2.8706 5
3.2047 8
3.2047 8
3.1464 9
2.6438 5
3.267 9
2.8706 5
3.1464 9
7 O 3.804 11
2.636 5
3.5735 10
3.5735 10
2.6006 5
2.6299 7
3.7193 7
2.6299 7
3.3985 9
2.636 5
2.6006 5
3.3985 9
8 O 3.804 11
2.1916 9
3.3909 5
3.39 6
3.165 5
3.2047 6
3.2047 6
2.9229 9
2.1916 9
3.3909 5
3.165 5
2.9229 9
9 O 3.804 9
2.1916 8
3.267 6
3.3066 5
3.1464 6
3.3985 7
2.9229 8
2.1751 9
3.0533 9
3.0533 9
10 Cl 4.344 16
3.542 5
3.5735 7
3.5735 7
3.542 5
3.542 5
3.542 5
3.5735 7
3.5735 7
3.5735 7
3.5735 7
3.5735 7
3.5735 7
3.542 5
3.542 5
3.542 5
3.542 5
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 4.389 8.778 0.05 338.49 4 179.7 2860.8
2 2 0 0 6.213 12.427 0.07 167.77 4 177.9 1389.3
3 1 0 1 7.893 15.786 0.089 103.11 8 234.3 2961.8
4 2 2 0 8.804 17.609 0.099 82.43 4 212.7 975.3
5 1 3 0 9.853 19.707 0.111 65.38 4 395.1 2669.2
6 3 1 0 9.853 19.707 0.111 65.38 4 150.2 385.7
7 1 2 1 10.07 20.14 0.113 62.5 8 227.0 1684.8
8 2 1 1 10.07 20.14 0.113 62.5 8 92.7 280.8
9 3 0 1 11.867 23.733 0.133 44.42 8 56.2 73.5
10 4 0 0 12.501 25.003 0.141 39.82 4 331.0 1141.0
11 3 3 0 13.273 26.546 0.149 35.09 4 146.1 195.9
12 2 3 1 13.437 26.874 0.151 34.19 8 521.1 4857.5
13 3 2 1 13.437 26.874 0.151 34.19 8 70.3 88.5
14 2 4 0 14.005 28.011 0.157 31.31 4 399.4 1306.6
15 4 2 0 14.005 28.011 0.157 31.31 4 37.1 11.3
16 0 0 2 14.621 29.242 0.164 28.57 2 470.4 827.0
17 1 4 1 14.853 29.707 0.166 27.62 8 123.5 220.5
18 4 1 1 14.853 29.707 0.166 27.62 8 532.4 4096.0
19 1 1 2 15.294 30.588 0.171 25.94 8 182.3 451.0
20 2 0 2 15.941 31.882 0.178 23.73 8 221.0 606.1
21 1 5 0 16.018 32.036 0.179 23.48 4 14.9 1.4
22 5 1 0 16.018 32.036 0.179 23.48 4 432.9 1151.3
23 2 2 2 17.17 34.34 0.192 20.2 8 533.5 3008.6
24 3 4 1 17.372 34.743 0.194 19.69 8 35.9 13.3
25 4 3 1 17.372 34.743 0.194 19.69 8 18.0 3.4
26 5 0 1 17.372 34.743 0.194 19.69 8 379.6 1484.4
27 1 3 2 17.756 35.512 0.198 18.77 8 235.5 544.9
28 3 1 2 17.756 35.512 0.198 18.77 8 156.6 241.0
29 4 4 0 17.826 35.652 0.199 18.61 4 414.7 837.4
30 3 5 0 18.394 36.787 0.205 17.37 4 372.5 630.6
31 5 3 0 18.394 36.787 0.205 17.37 4 2.2 0.0
32 2 5 1 18.517 37.033 0.206 17.12 8 128.9 148.8
33 5 2 1 18.517 37.033 0.206 17.12 8 196.8 347.0
34 6 0 0 18.947 37.894 0.211 16.27 4 11.1 0.5
35 4 0 2 19.422 38.845 0.216 15.41 8 79.7 51.1
36 3 3 2 19.951 39.903 0.221 14.51 8 370.4 1041.7
37 2 6 0 20.014 40.029 0.222 14.41 4 146.6 81.0
38 6 2 0 20.014 40.029 0.222 14.41 4 41.5 6.5
39 2 4 2 20.469 40.938 0.227 13.71 8 0.9 0.0
40 4 2 2 20.469 40.938 0.227 13.71 8 319.6 732.6
41 1 6 1 20.643 41.285 0.229 13.45 8 229.3 370.1
42 6 1 1 20.643 41.285 0.229 13.45 8 193.1 262.5
43 4 5 1 21.64 43.281 0.239 12.1 8 448.3 1272.9
44 5 4 1 21.64 43.281 0.239 12.1 8 93.6 55.5
45 1 5 2 21.961 43.922 0.243 11.71 8 3.7 0.1
46 5 1 2 21.961 43.922 0.243 11.71 8 372.3 849.2
47 1 0 3 22.488 44.976 0.248 11.1 8 234.7 320.0
48 1 7 0 22.498 44.996 0.248 11.09 4 396.6 456.4
49 5 5 0 22.498 44.996 0.248 11.09 4 185.2 99.5
50 7 1 0 22.498 44.996 0.248 11.09 4 34.5 3.4
51 3 6 1 22.602 45.205 0.249 10.97 8 275.5 435.8
52 6 3 1 22.602 45.205 0.249 10.97 8 355.2 724.4
53 4 6 0 22.969 45.938 0.253 10.58 4 151.8 63.8
54 6 4 0 22.969 45.938 0.253 10.58 4 517.2 740.6
55 4 4 2 23.377 46.754 0.258 10.17 8 46.5 11.5
56 1 2 3 23.422 46.845 0.258 10.12 8 247.4 324.2
57 2 1 3 23.422 46.845 0.258 10.12 8 92.1 44.9
58 7 0 1 23.533 47.067 0.259 10.02 8 241.6 306.0
59 3 5 2 23.834 47.668 0.262 9.73 8 355.0 641.5
60 5 3 2 23.834 47.668 0.262 9.73 8 65.1 21.6
61 6 0 2 24.285 48.57 0.267 9.33 8 118.7 68.8
62 3 0 3 24.329 48.658 0.267 9.29 8 71.3 24.7
63 3 7 0 24.339 48.678 0.268 9.28 4 15.9 0.6
64 7 3 0 24.339 48.678 0.268 9.28 4 379.4 349.4
65 2 7 1 24.437 48.874 0.269 9.19 8 255.0 312.9
66 7 2 1 24.437 48.874 0.269 9.19 8 70.3 23.8
67 2 6 2 25.168 50.336 0.276 8.6 8 223.2 224.0
68 6 2 2 25.168 50.336 0.276 8.6 8 187.8 158.6
69 2 3 3 25.211 50.422 0.276 8.56 8 362.7 589.5
70 3 2 3 25.211 50.422 0.276 8.56 8 44.9 9.0
71 8 0 0 25.653 51.307 0.281 8.23 4 135.9 39.8
72 1 4 3 26.071 52.143 0.285 7.93 8 9.5 0.4
73 4 1 3 26.071 52.143 0.285 7.93 8 372.1 574.8
74 5 6 1 26.174 52.348 0.286 7.86 8 115.4 54.8
75 6 5 1 26.174 52.348 0.286 7.86 8 128.4 67.8
76 2 8 0 26.503 53.006 0.29 7.64 4 217.8 94.9
77 8 2 0 26.503 53.006 0.29 7.64 4 56.0 6.3
78 1 8 1 27.012 54.025 0.295 7.32 8 354.0 479.8
79 4 7 1 27.012 54.025 0.295 7.32 8 65.2 16.3
80 7 4 1 27.012 54.025 0.295 7.32 8 245.7 231.1
81 8 1 1 27.012 54.025 0.295 7.32 8 101.5 39.5
82 1 7 2 27.285 54.57 0.298 7.15 8 382.9 548.7
83 5 5 2 27.285 54.57 0.298 7.15 8 169.2 107.2
84 7 1 2 27.285 54.57 0.298 7.15 8 37.6 5.3
85 6 6 0 27.335 54.669 0.298 7.12 4 246.2 113.0
86 4 6 2 27.695 55.389 0.302 6.92 8 548.7 1089.4
87 6 4 2 27.695 55.389 0.302 6.92 8 120.5 52.6
88 3 4 3 27.735 55.47 0.302 6.89 8 47.3 8.1
89 4 3 3 27.735 55.47 0.302 6.89 8 36.0 4.7
90 5 0 3 27.735 55.47 0.302 6.89 8 343.9 426.6
91 5 7 0 27.744 55.488 0.302 6.89 4 160.5 46.4
92 7 5 0 27.744 55.488 0.302 6.89 4 20.8 0.8
93 2 5 3 28.542 57.084 0.31 6.46 8 99.6 33.5
94 5 2 3 28.542 57.084 0.31 6.46 8 154.6 80.8
95 3 8 1 28.638 57.277 0.311 6.41 8 60.2 12.2
96 8 3 1 28.638 57.277 0.311 6.41 8 15.8 0.8
97 3 7 2 28.901 57.801 0.314 6.28 8 69.8 16.0
98 7 3 2 28.901 57.801 0.314 6.28 8 239.5 188.5
99 4 8 0 28.949 57.897 0.314 6.26 4 21.1 0.7
100 8 4 0 28.949 57.897 0.314 6.26 4 69.6 7.9
101 1 9 0 29.343 58.686 0.318 6.07 4 9.6 0.1
102 9 1 0 29.343 58.686 0.318 6.07 4 394.6 247.2
103 8 0 2 30.076 60.151 0.325 5.74 8 202.7 123.4
104 1 6 3 30.114 60.228 0.326 5.72 8 155.6 72.6
105 6 1 3 30.114 60.228 0.326 5.72 8 172.9 89.6
106 9 0 1 30.207 60.414 0.327 5.69 8 4.6 0.1
107 0 0 4 30.322 60.643 0.328 5.64 2 715.1 377.1
108 1 1 4 30.705 61.41 0.331 5.48 8 152.3 66.6
109 2 8 2 30.844 61.687 0.333 5.43 8 55.8 8.8
110 8 2 2 30.844 61.687 0.333 5.43 8 348.4 344.8
111 4 5 3 30.881 61.762 0.333 5.41 8 324.0 297.3
112 5 4 3 30.881 61.762 0.333 5.41 8 83.0 19.5
113 3 9 0 30.89 61.779 0.333 5.41 4 285.4 115.3
114 9 3 0 30.89 61.779 0.333 5.41 4 121.7 21.0
115 2 9 1 30.973 61.946 0.334 5.38 8 74.7 15.7
116 6 7 1 30.973 61.946 0.334 5.38 8 151.0 64.1
117 7 6 1 30.973 61.946 0.334 5.38 8 133.1 49.8
118 9 2 1 30.973 61.946 0.334 5.38 8 406.5 465.0
119 2 0 4 31.086 62.172 0.335 5.33 8 140.8 55.3
120 6 6 2 31.601 63.201 0.34 5.15 8 149.1 59.8
121 3 6 3 31.638 63.276 0.34 5.13 8 228.2 139.8
122 6 3 3 31.638 63.276 0.34 5.13 8 299.9 241.6
123 5 8 1 31.728 63.457 0.341 5.1 8 253.4 171.4
124 8 5 1 31.728 63.457 0.341 5.1 8 212.0 120.0
125 2 2 4 31.84 63.68 0.342 5.06 8 123.6 40.5
126 5 7 2 31.975 63.951 0.344 5.01 8 130.5 44.7
127 7 5 2 31.975 63.951 0.344 5.01 8 3.9 0.0
128 1 3 4 32.213 64.426 0.346 4.93 8 256.4 169.8
129 3 1 4 32.213 64.426 0.346 4.93 8 67.0 11.6
130 7 0 3 32.384 64.769 0.348 4.88 8 181.2 83.8
131 7 7 0 32.392 64.785 0.348 4.88 4 73.9 7.0
132 6 8 0 32.762 65.525 0.351 4.76 4 507.2 320.2
133 8 6 0 32.762 65.525 0.351 4.76 4 257.2 82.3
134 10 0 0 32.762 65.525 0.351 4.76 4 125.7 19.7
135 4 8 2 33.086 66.171 0.354 4.66 8 246.0 147.5
136 8 4 2 33.086 66.171 0.354 4.66 8 205.4 102.8
137 2 7 3 33.122 66.244 0.355 4.65 8 220.6 118.3
138 7 2 3 33.122 66.244 0.355 4.65 8 108.2 28.5
139 4 9 1 33.21 66.421 0.356 4.62 8 155.6 58.6
140 9 4 1 33.21 66.421 0.356 4.62 8 28.2 1.9
141 4 0 4 33.319 66.638 0.357 4.59 8 264.0 167.4
142 1 9 2 33.451 66.903 0.358 4.55 8 88.3 18.6
143 9 1 2 33.451 66.903 0.358 4.55 8 358.0 305.2
144 2 10 0 33.496 66.991 0.358 4.54 4 353.4 148.3
145 10 2 0 33.496 66.991 0.358 4.54 4 373.5 165.7
146 3 3 4 33.684 67.367 0.36 4.49 8 154.9 56.3
147 5 9 0 33.859 67.718 0.362 4.44 4 172.8 34.7
148 9 5 0 33.859 67.718 0.362 4.44 4 57.9 3.9
149 1 10 1 33.939 67.878 0.362 4.42 8 0.8 0.0
150 10 1 1 33.939 67.878 0.362 4.42 8 158.7 58.2
151 2 4 4 34.046 68.093 0.363 4.39 8 258.6 153.5
152 4 2 4 34.046 68.093 0.363 4.39 8 12.5 0.4
153 5 6 3 34.573 69.146 0.368 4.25 8 112.5 28.1
154 6 5 3 34.573 69.146 0.368 4.25 8 98.3 21.5
155 3 9 2 34.896 69.792 0.371 4.17 8 189.9 78.7
156 9 3 2 34.896 69.792 0.371 4.17 8 40.0 3.5
157 1 5 4 35.124 70.247 0.373 4.12 8 5.4 0.1
158 5 1 4 35.124 70.247 0.373 4.12 8 281.7 170.8
159 1 8 3 35.288 70.576 0.375 4.08 8 303.4 196.4
160 4 7 3 35.288 70.576 0.375 4.08 8 10.7 0.2
161 7 4 3 35.288 70.576 0.375 4.08 8 239.1 121.9
162 8 1 3 35.288 70.576 0.375 4.08 8 104.9 23.5
163 3 10 1 35.374 70.748 0.376 4.06 8 363.7 280.8
164 10 3 1 35.374 70.748 0.376 4.06 8 46.3 4.5
165 4 10 0 35.651 71.301 0.378 4.0 4 76.4 6.1
166 10 4 0 35.651 71.301 0.378 4.0 4 367.8 141.4
167 7 8 1 36.082 72.163 0.382 3.9 8 112.1 25.7
168 8 7 1 36.082 72.163 0.382 3.9 8 189.5 73.3
169 4 4 4 36.186 72.373 0.383 3.88 8 312.6 198.4
170 7 7 2 36.314 72.628 0.384 3.85 8 37.3 2.8
171 3 5 4 36.538 73.076 0.386 3.81 8 256.5 131.2
172 5 3 4 36.538 73.076 0.386 3.81 8 34.7 2.4
173 6 8 2 36.665 73.33 0.388 3.78 8 204.5 82.8
174 8 6 2 36.665 73.33 0.388 3.78 8 419.8 348.9
175 10 0 2 36.665 73.33 0.388 3.78 8 209.4 86.8
176 3 8 3 36.7 73.399 0.388 3.78 8 56.4 6.3
177 8 3 3 36.7 73.399 0.388 3.78 8 29.3 1.7
178 1 11 0 36.707 73.414 0.388 3.78 4 148.6 21.8
179 11 1 0 36.707 73.414 0.388 3.78 4 61.9 3.8
180 6 9 1 36.784 73.568 0.389 3.76 8 139.7 38.4
181 9 6 1 36.784 73.568 0.389 3.76 8 280.7 155.0
182 6 0 4 36.888 73.776 0.39 3.74 8 84.9 14.1
183 2 10 2 37.363 74.726 0.394 3.65 8 102.6 20.1
184 10 2 2 37.363 74.726 0.394 3.65 8 56.4 6.1
185 11 0 1 37.481 74.963 0.395 3.63 8 228.0 98.8
186 2 6 4 37.585 75.169 0.396 3.61 8 73.6 10.2
187 6 2 4 37.585 75.169 0.396 3.61 8 55.1 5.7
188 5 9 2 37.71 75.421 0.397 3.59 8 209.1 82.2
189 9 5 2 37.71 75.421 0.397 3.59 8 92.9 16.2
190 8 8 0 37.752 75.504 0.397 3.59 4 220.4 45.5
191 9 0 3 38.091 76.181 0.4 3.53 8 4.7 0.0
192 3 11 0 38.098 76.196 0.401 3.53 4 185.5 31.7
193 7 9 0 38.098 76.196 0.401 3.53 4 36.4 1.2
194 9 7 0 38.098 76.196 0.401 3.53 4 195.5 35.3
195 11 3 0 38.098 76.196 0.401 3.53 4 107.5 10.7
196 2 11 1 38.174 76.348 0.401 3.52 8 86.5 13.7
197 5 10 1 38.174 76.348 0.401 3.52 8 61.6 7.0
198 10 5 1 38.174 76.348 0.401 3.52 8 63.4 7.4
199 11 2 1 38.174 76.348 0.401 3.52 8 23.5 1.0
200 2 9 3 38.78 77.56 0.407 3.42 8 77.0 10.6
201 6 7 3 38.78 77.56 0.407 3.42 8 127.1 28.9
202 7 6 3 38.78 77.56 0.407 3.42 8 141.5 35.8
203 9 2 3 38.78 77.56 0.407 3.42 8 344.5 212.5
204 6 10 0 39.131 78.261 0.41 3.37 4 121.1 12.9
205 10 6 0 39.131 78.261 0.41 3.37 4 131.1 15.2
206 1 0 5 39.3 78.6 0.411 3.35 8 130.5 29.8
207 1 7 4 39.308 78.615 0.411 3.35 8 253.7 112.7
208 5 5 4 39.308 78.615 0.411 3.35 8 136.0 32.4
209 7 1 4 39.308 78.615 0.411 3.35 8 34.1 2.0
210 4 10 2 39.432 78.863 0.412 3.33 8 256.9 114.9
211 10 4 2 39.432 78.863 0.412 3.33 8 117.6 24.1
212 5 8 3 39.465 78.931 0.413 3.32 8 201.5 70.6
213 8 5 3 39.465 78.931 0.413 3.32 8 187.0 60.8
214 4 6 4 39.65 79.299 0.414 3.3 8 129.3 28.9
215 6 4 4 39.65 79.299 0.414 3.3 8 348.7 209.9
216 1 2 5 39.983 79.966 0.417 3.26 8 145.6 36.1
217 2 1 5 39.983 79.966 0.417 3.26 8 40.1 2.7
218 4 11 1 40.23 80.46 0.419 3.23 8 59.2 5.9
219 11 4 1 40.23 80.46 0.419 3.23 8 250.0 105.5
220 1 11 2 40.454 80.909 0.421 3.2 8 119.6 24.0
221 11 1 2 40.454 80.909 0.421 3.2 8 71.7 8.6
222 12 0 0 40.495 80.991 0.422 3.19 4 174.7 25.5
223 3 0 5 40.663 81.327 0.423 3.18 8 67.0 7.5
224 3 7 4 40.671 81.342 0.423 3.17 8 3.4 0.0
225 7 3 4 40.671 81.342 0.423 3.17 8 257.2 109.8
226 4 9 3 40.827 81.655 0.424 3.16 8 151.5 37.9
227 9 4 3 40.827 81.655 0.424 3.16 8 30.8 1.6
228 5 11 0 40.835 81.67 0.424 3.16 4 88.1 6.4
229 11 5 0 40.835 81.67 0.424 3.16 4 263.9 57.5
230 2 12 0 41.174 82.347 0.427 3.12 4 150.0 18.4
231 12 2 0 41.174 82.347 0.427 3.12 4 79.6 5.2
232 2 3 5 41.341 82.682 0.429 3.1 8 281.3 128.4
233 3 2 5 41.341 82.682 0.429 3.1 8 71.9 8.4
234 8 8 2 41.471 82.942 0.43 3.09 8 14.4 0.3
235 1 10 3 41.505 83.009 0.43 3.09 8 38.8 2.4
236 10 1 3 41.505 83.009 0.43 3.09 8 130.9 27.6
237 1 12 1 41.586 83.173 0.431 3.08 8 212.4 72.6
238 8 9 1 41.586 83.173 0.431 3.08 8 15.2 0.4
239 9 8 1 41.586 83.173 0.431 3.08 8 101.4 16.5
240 12 1 1 41.586 83.173 0.431 3.08 8 64.8 6.8
241 8 0 4 41.687 83.373 0.432 3.07 8 72.9 8.5
242 3 11 2 41.809 83.618 0.433 3.06 8 159.6 40.7
243 7 9 2 41.809 83.618 0.433 3.06 8 33.0 1.7
244 9 7 2 41.809 83.618 0.433 3.06 8 206.8 68.4
245 11 3 2 41.809 83.618 0.433 3.06 8 145.4 33.8
246 1 4 5 42.017 84.034 0.434 3.04 8 54.8 4.8
247 4 1 5 42.017 84.034 0.434 3.04 8 298.9 141.9
248 7 10 1 42.261 84.523 0.437 3.01 8 229.1 82.8
249 10 7 1 42.261 84.523 0.437 3.01 8 32.0 1.6
250 2 8 4 42.361 84.723 0.437 3.01 8 176.5 49.0
251 8 2 4 42.361 84.723 0.437 3.01 8 41.2 2.7
252 6 10 2 42.82 85.641 0.441 2.97 8 64.7 6.5
253 10 6 2 42.82 85.641 0.441 2.97 8 29.5 1.3
254 3 10 3 42.854 85.707 0.441 2.97 8 317.2 156.1
255 10 3 3 42.854 85.707 0.441 2.97 8 59.9 5.6
256 3 12 1 42.935 85.87 0.442 2.96 8 11.0 0.2
257 12 3 1 42.935 85.87 0.442 2.96 8 5.5 0.0
258 6 6 4 43.035 86.07 0.443 2.95 8 148.2 33.9
259 4 12 0 43.197 86.395 0.444 2.94 4 66.6 3.4
260 12 4 0 43.197 86.395 0.444 2.94 4 32.5 0.8
261 3 4 5 43.364 86.727 0.446 2.93 8 7.7 0.1
262 4 3 5 43.364 86.727 0.446 2.93 8 20.8 0.7
263 5 0 5 43.364 86.727 0.446 2.93 8 230.8 81.6
264 5 7 4 43.371 86.742 0.446 2.93 8 119.4 21.8
265 7 5 4 43.371 86.742 0.446 2.93 8 22.1 0.7
266 7 8 3 43.526 87.052 0.447 2.92 8 106.7 17.4
267 8 7 3 43.526 87.052 0.447 2.92 8 173.4 45.9
268 9 9 0 43.533 87.067 0.447 2.92 4 56.5 2.4
269 6 11 1 43.607 87.215 0.448 2.91 8 74.6 8.5
270 11 6 1 43.607 87.215 0.448 2.91 8 18.8 0.5
271 8 10 0 43.869 87.739 0.45 2.89 4 90.0 6.1
272 10 8 0 43.869 87.739 0.45 2.89 4 249.7 47.2
273 2 5 5 44.036 88.071 0.451 2.88 8 64.0 6.2
274 5 2 5 44.036 88.071 0.451 2.88 8 119.2 21.4
275 12 0 2 44.165 88.329 0.452 2.87 8 407.0 249.1
276 6 9 3 44.198 88.396 0.453 2.87 8 127.3 24.4
277 9 6 3 44.198 88.396 0.453 2.87 8 235.5 83.4
278 4 8 4 44.379 88.757 0.454 2.86 8 22.9 0.8
279 8 4 4 44.379 88.757 0.454 2.86 8 41.2 2.5
280 5 11 2 44.5 89.001 0.455 2.85 8 91.4 12.5
281 11 5 2 44.5 89.001 0.455 2.85 8 220.3 72.5
282 1 9 4 44.714 89.429 0.457 2.84 8 18.9 0.5
283 9 1 4 44.714 89.429 0.457 2.84 8 280.1 116.7
284 2 12 2 44.836 89.672 0.458 2.84 8 47.6 3.4
285 12 2 2 44.836 89.672 0.458 2.84 8 173.7 44.8
286 11 0 3 44.869 89.738 0.458 2.84 8 192.7 55.1
287 1 13 0 44.876 89.753 0.458 2.83 4 66.0 3.2
288 7 11 0 44.876 89.753 0.458 2.83 4 267.6 53.1
289 11 7 0 44.876 89.753 0.458 2.83 4 33.0 0.8
290 13 1 0 44.876 89.753 0.458 2.83 4 24.8 0.5
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 4.389 8.778 10.06496 2860.8 57.8 58.5 5.6
2 2 0 0 6.213 12.427 7.117 1389.3 28.1 28.4 5.6
3 1 0 1 7.893 15.786 5.60916 2961.8 59.9 60.4 5.6
4 2 2 0 8.804 17.609 5.03248 975.3 19.7 19.9 5.6
5 1 3 0 9.853 19.707 4.50119 3055.0 61.8 62.1 5.6
6 1 2 1 10.07 20.14 4.4054 1965.6 39.7 39.9 5.6
7 3 0 1 11.867 23.733 3.74584 73.5 1.5 1.5 5.6
8 4 0 0 12.501 25.003 3.5585 1141.0 23.1 23.1 5.6
9 3 3 0 13.273 26.546 3.35499 195.9 4.0 4.0 5.6
10 2 3 1 13.437 26.874 3.31475 4946.0 100.0 100.0 5.6
11 2 4 0 14.005 28.011 3.18282 1317.9 26.6 26.6 5.6
12 0 0 2 14.621 29.242 3.0515 827.0 16.7 16.7 5.6
13 4 1 1 14.853 29.707 3.00483 4316.5 87.3 87.1 5.6
14 1 1 2 15.294 30.588 2.92024 451.0 9.1 9.1 5.6
15 2 0 2 15.941 31.882 2.80458 606.1 12.3 12.2 5.6
16 5 1 0 16.018 32.036 2.79152 1152.7 23.3 23.2 5.6
17 2 2 2 17.17 34.34 2.60929 3008.6 60.8 60.4 5.7
18 5 0 1 17.372 34.743 2.57993 1501.1 30.3 30.1 5.7
19 1 3 2 17.756 35.512 2.52579 785.9 15.9 15.8 5.7
20 4 4 0 17.826 35.652 2.51624 837.4 16.9 16.8 5.7
21 3 5 0 18.394 36.787 2.44111 630.7 12.8 12.6 5.7
22 5 2 1 18.517 37.033 2.42548 495.8 10.0 9.9 5.7
23 4 0 2 19.422 38.845 2.31643 51.1 1.0 1.0 5.7
24 3 3 2 19.951 39.903 2.25742 1041.7 21.1 20.8 5.7
25 2 6 0 20.014 40.029 2.25059 87.5 1.8 1.7 5.7
26 4 2 2 20.469 40.938 2.2027 732.6 14.8 14.6 5.7
27 1 6 1 20.643 41.285 2.18495 632.5 12.8 12.6 5.7
28 4 5 1 21.64 43.281 2.08873 1328.4 26.9 26.5 5.7
29 5 1 2 21.961 43.922 2.05969 849.2 17.2 16.9 5.7
30 1 7 0 22.498 44.996 2.01299 879.3 17.8 17.5 5.7
31 6 3 1 22.602 45.205 2.0042 1160.3 23.5 23.1 5.7
32 6 4 0 22.969 45.938 1.9739 804.4 16.3 16.0 5.7
33 1 2 3 23.422 46.845 1.93778 369.1 7.5 7.3 5.7
34 7 0 1 23.533 47.067 1.92917 306.0 6.2 6.1 5.7
35 3 5 2 23.834 47.668 1.90621 663.1 13.4 13.1 5.7
36 6 0 2 24.285 48.57 1.87292 68.8 1.4 1.4 5.7
37 7 3 0 24.339 48.678 1.86902 374.7 7.6 7.4 5.7
38 2 7 1 24.437 48.874 1.86197 336.6 6.8 6.7 5.7
39 2 6 2 25.168 50.336 1.81125 382.6 7.7 7.6 5.8
40 2 3 3 25.211 50.422 1.80836 598.5 12.1 11.8 5.8
41 4 1 3 26.071 52.143 1.75266 574.8 11.6 11.3 5.8
42 6 5 1 26.174 52.348 1.74628 122.6 2.5 2.4 5.8
43 2 8 0 26.503 53.006 1.72613 101.2 2.0 2.0 5.8
44 1 8 1 27.012 54.025 1.69597 766.7 15.5 15.1 5.8
45 1 7 2 27.285 54.57 1.68031 661.2 13.4 13.0 5.8
46 6 6 0 27.335 54.669 1.67749 113.0 2.3 2.2 5.8
47 4 6 2 27.695 55.389 1.65738 1141.9 23.1 22.4 5.8
48 5 7 0 27.744 55.488 1.65467 486.5 9.8 9.5 5.8
49 5 2 3 28.542 57.084 1.61213 114.3 2.3 2.2 5.8
50 7 3 2 28.901 57.801 1.59382 204.5 4.1 4.0 5.8
51 9 1 0 29.343 58.686 1.57188 247.2 5.0 4.8 5.8
52 8 0 2 30.076 60.151 1.53705 123.4 2.5 2.4 5.8
53 6 1 3 30.114 60.228 1.53528 162.1 3.3 3.2 5.8
54 0 0 4 30.322 60.643 1.52575 377.1 7.6 7.3 5.8
55 1 1 4 30.705 61.41 1.50852 66.6 1.3 1.3 5.8
56 8 2 2 30.844 61.687 1.50241 353.6 7.2 6.9 5.8
57 4 5 3 30.881 61.762 1.50076 453.1 9.2 8.8 5.8
58 9 2 1 30.973 61.946 1.49674 594.6 12.0 11.6 5.8
59 2 0 4 31.086 62.172 1.49185 55.3 1.1 1.1 5.8
60 6 6 2 31.601 63.201 1.47002 59.8 1.2 1.2 5.9
61 6 3 3 31.638 63.276 1.46847 381.4 7.7 7.4 5.9
62 5 8 1 31.728 63.457 1.4647 291.4 5.9 5.7 5.9
63 1 3 4 32.213 64.426 1.44499 181.3 3.7 3.5 5.9
64 7 0 3 32.384 64.769 1.43817 90.8 1.8 1.8 5.9
65 6 8 0 32.762 65.525 1.4234 422.2 8.5 8.2 5.9
66 4 8 2 33.086 66.171 1.41105 250.3 5.1 4.8 5.9
67 2 7 3 33.122 66.244 1.40968 146.8 3.0 2.8 5.9
68 4 9 1 33.21 66.421 1.40635 60.5 1.2 1.2 5.9
69 4 0 4 33.319 66.638 1.40229 167.4 3.4 3.2 5.9
70 9 1 2 33.451 66.903 1.39738 323.8 6.5 6.2 5.9
71 10 2 0 33.496 66.991 1.39576 314.0 6.3 6.1 5.9
72 3 3 4 33.684 67.367 1.38887 56.3 1.1 1.1 5.9
73 10 1 1 33.939 67.878 1.37967 58.2 1.2 1.1 5.9
74 2 4 4 34.046 68.093 1.37584 153.8 3.1 3.0 5.9
75 5 6 3 34.573 69.146 1.35743 49.6 1.0 1.0 5.9
76 3 9 2 34.896 69.792 1.34644 82.2 1.7 1.6 5.9
77 5 1 4 35.124 70.247 1.33882 170.8 3.5 3.3 5.9
78 1 8 3 35.288 70.576 1.33339 342.0 6.9 6.6 5.9
79 3 10 1 35.374 70.748 1.33057 285.3 5.8 5.5 5.9
80 10 4 0 35.651 71.301 1.32159 147.5 3.0 2.8 5.9
81 8 7 1 36.082 72.163 1.30791 99.0 2.0 1.9 5.9
82 4 4 4 36.186 72.373 1.30464 198.4 4.0 3.8 5.9
83 3 5 4 36.538 73.076 1.29382 133.6 2.7 2.5 6.0
84 10 0 2 36.665 73.33 1.28996 518.4 10.5 9.9 6.0
85 9 6 1 36.784 73.568 1.28637 193.4 3.9 3.7 6.0
86 11 0 1 37.481 74.963 1.26586 98.8 2.0 1.9 6.0
87 5 9 2 37.71 75.421 1.25931 98.4 2.0 1.9 6.0
88 9 7 0 38.098 76.196 1.2484 78.9 1.6 1.5 6.0
89 9 2 3 38.78 77.56 1.22983 287.8 5.8 5.4 6.0
90 5 5 4 39.308 78.615 1.21594 177.0 3.6 3.3 6.0
91 4 10 2 39.432 78.863 1.21274 139.0 2.8 2.6 6.0
92 5 8 3 39.465 78.931 1.21187 131.4 2.7 2.5 6.0
93 6 4 4 39.65 79.299 1.20717 238.8 4.8 4.5 6.0
94 11 4 1 40.23 80.46 1.19265 111.4 2.3 2.1 6.0
95 7 3 4 40.671 81.342 1.18193 117.3 2.4 2.2 6.1
96 11 5 0 40.835 81.67 1.17801 103.4 2.1 1.9 6.1
97 2 3 5 41.341 82.682 1.16613 136.8 2.8 2.6 6.1
98 1 12 1 41.586 83.173 1.1605 96.3 1.9 1.8 6.1
99 9 7 2 41.809 83.618 1.15545 144.6 2.9 2.7 6.1
100 4 1 5 42.017 84.034 1.15079 146.7 3.0 2.7 6.1
101 7 10 1 42.261 84.523 1.14537 84.4 1.7 1.6 6.1
102 2 8 4 42.361 84.723 1.14318 51.7 1.0 1.0 6.1
103 3 10 3 42.854 85.707 1.13255 161.7 3.3 3.0 6.1
104 5 0 5 43.364 86.727 1.12183 104.2 2.1 1.9 6.1
105 8 7 3 43.526 87.052 1.11848 65.7 1.3 1.2 6.1
106 10 8 0 43.869 87.739 1.11149 53.3 1.1 1.0 6.2
107 12 0 2 44.165 88.329 1.10558 249.1 5.0 4.6 6.2
108 9 6 3 44.198 88.396 1.10492 107.7 2.2 2.0 6.2
109 11 5 2 44.5 89.001 1.09897 84.9 1.7 1.6 6.2
110 9 1 4 44.714 89.429 1.09481 116.7 2.4 2.1 6.2
111 11 0 3 44.869 89.738 1.09184 112.7 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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