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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MACKAYITE
1
FeTe(2)O(5)(OH)
Tetragonal * I4(1)/acd Z = 16
*I4(1)/acd
5 .4 .1988
Ref.Str.:
Pertlik F., Gieren A. (1977)
* Neues Jb. Miner., Mh., 145-154
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.8 alpha = 90.0
b = 11.8 beta = 90.0
c = 15.1 gamma = 90.0
Unit cell volume (cub. angs.) = 2102.52
Molar volume ( cub.cm/mol.) = 79.15
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.25 0.2304 0.0 Fe = 1.00
2 0.2984 0.3475 0.1114 0.0 Te = 1.00
3 0.4294 0.6794 0.125 0.0 O = 1.00
4 0.2608 0.5108 0.125 0.0 O = 1.00
5 0.3824 0.3779 0.0053 0.0 O = 1.00
6 0.3877 0.1744 0.0617 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.25 0.2304
2 2 0.2984 0.3475 0.1114
3 3 0.4294 0.6794 0.125
4 4 0.2608 0.5108 0.125
5 5 0.3824 0.3779 0.0053
6 6 0.3877 0.1744 0.0617
7 1 0.0 0.75 0.7696
8 2 0.7016 0.6525 0.8886
9 3 0.5706 0.3206 0.875
10 4 0.7392 0.4892 0.875
11 5 0.6176 0.6221 0.9947
12 6 0.6123 0.8256 0.9383
13 1 0.5 0.25 0.2696
14 2 0.7984 0.3475 0.3886
15 3 0.9294 0.6794 0.375
16 4 0.7608 0.5108 0.375
17 5 0.8824 0.3779 0.4947
18 6 0.8877 0.1744 0.4383
19 1 0.5 0.75 0.7304
20 2 0.2016 0.6525 0.6114
21 3 0.0706 0.3206 0.625
22 4 0.2392 0.4892 0.625
23 5 0.1176 0.6221 0.5053
24 6 0.1123 0.8256 0.5617
25 2 0.2984 0.8475 0.8886
26 3 0.4294 0.1794 0.875
27 4 0.2608 0.0108 0.875
28 5 0.3824 0.8779 0.9947
29 6 0.3877 0.6744 0.9383
30 2 0.7016 0.1525 0.1114
31 3 0.5706 0.8206 0.125
32 4 0.7392 0.9892 0.125
33 5 0.6176 0.1221 0.0053
34 6 0.6123 0.3256 0.0617
35 2 0.7984 0.8475 0.6114
36 3 0.9294 0.1794 0.625
37 4 0.7608 0.0108 0.625
38 5 0.8824 0.8779 0.5053
39 6 0.8877 0.6744 0.5617
40 2 0.2016 0.1525 0.3886
41 3 0.0706 0.8206 0.375
42 4 0.2392 0.9892 0.375
43 5 0.1176 0.1221 0.4947
44 6 0.1123 0.3256 0.4383
45 1 0.0 0.25 0.7304
46 2 0.7016 0.3475 0.6114
47 3 0.5706 0.6794 0.625
48 4 0.7392 0.5108 0.625
49 5 0.6176 0.3779 0.5053
50 6 0.6123 0.1744 0.5617
51 1 0.0 0.75 0.2696
52 2 0.2984 0.6525 0.3886
53 3 0.4294 0.3206 0.375
54 4 0.2608 0.4892 0.375
55 5 0.3824 0.6221 0.4947
56 6 0.3877 0.8256 0.4383
57 1 0.5 0.25 0.7696
58 2 0.2016 0.3475 0.8886
59 3 0.0706 0.6794 0.875
60 4 0.2392 0.5108 0.875
61 5 0.1176 0.3779 0.9947
62 6 0.1123 0.1744 0.9383
63 1 0.5 0.75 0.2304
64 2 0.7984 0.6525 0.1114
65 3 0.9294 0.3206 0.125
66 4 0.7608 0.4892 0.125
67 5 0.8824 0.6221 0.0053
68 6 0.8877 0.8256 0.0617
69 2 0.7016 0.8475 0.3886
70 3 0.5706 0.1794 0.375
71 4 0.7392 0.0108 0.375
72 5 0.6176 0.8779 0.4947
73 6 0.6123 0.6744 0.4383
74 2 0.2984 0.1525 0.6114
75 3 0.4294 0.8206 0.625
76 4 0.2608 0.9892 0.625
77 5 0.3824 0.1221 0.5053
78 6 0.3877 0.3256 0.5617
79 2 0.2016 0.8475 0.1114
80 3 0.0706 0.1794 0.125
81 4 0.2392 0.0108 0.125
82 5 0.1176 0.8779 0.0053
83 6 0.1123 0.6744 0.0617
84 2 0.7984 0.1525 0.8886
85 3 0.9294 0.8206 0.875
86 4 0.7608 0.9892 0.875
87 5 0.8824 0.1221 0.9947
88 6 0.8877 0.3256 0.9383
89 1 0.5 0.25 0.9804
90 1 0.0 0.75 0.4804
91 2 0.4025 0.5484 0.8614
92 2 0.0975 0.4516 0.3614
93 5 0.3721 0.6324 0.7553
94 5 0.1279 0.3676 0.2553
95 6 0.5756 0.6377 0.8117
96 6 0.9244 0.3623 0.3117
97 1 0.0 0.25 0.5196
98 1 0.5 0.75 0.0196
99 2 0.0975 0.9516 0.6386
100 2 0.4025 0.0484 0.1386
101 5 0.1279 0.8676 0.7447
102 5 0.3721 0.1324 0.2447
103 6 0.9244 0.8623 0.6883
104 6 0.5756 0.1377 0.1883
105 2 0.9025 0.5484 0.6386
106 2 0.5975 0.4516 0.1386
107 5 0.8721 0.6324 0.7447
108 5 0.6279 0.3676 0.2447
109 6 0.0756 0.6377 0.6883
110 6 0.4244 0.3623 0.1883
111 2 0.5975 0.9516 0.8614
112 2 0.9025 0.0484 0.3614
113 5 0.6279 0.8676 0.7553
114 5 0.8721 0.1324 0.2553
115 6 0.4244 0.8623 0.8117
116 6 0.0756 0.1377 0.3117
117 1 0.5 0.25 0.4804
118 1 0.0 0.75 0.9804
119 2 0.4025 0.9516 0.3614
120 2 0.0975 0.0484 0.8614
121 5 0.3721 0.8676 0.2553
122 5 0.1279 0.1324 0.7553
123 6 0.5756 0.8623 0.3117
124 6 0.9244 0.1377 0.8117
125 1 0.0 0.25 0.0196
126 1 0.5 0.75 0.5196
127 2 0.0975 0.5484 0.1386
128 2 0.4025 0.4516 0.6386
129 5 0.1279 0.6324 0.2447
130 5 0.3721 0.3676 0.7447
131 6 0.9244 0.6377 0.1883
132 6 0.5756 0.3623 0.6883
133 2 0.9025 0.9516 0.1386
134 2 0.5975 0.0484 0.6386
135 5 0.8721 0.8676 0.2447
136 5 0.6279 0.1324 0.7447
137 6 0.0756 0.8623 0.1883
138 6 0.4244 0.1377 0.6883
139 2 0.5975 0.5484 0.3614
140 2 0.9025 0.4516 0.8614
141 5 0.6279 0.6324 0.2553
142 5 0.8721 0.3676 0.7553
143 6 0.4244 0.6377 0.3117
144 6 0.0756 0.3623 0.8117
X-ray density (g/cm cub.) = 5.14
MU (1/cm) = 1370.92 Mass attenuation coefficient (cm**2/g) = 266.616
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
1.9802 3
1.9802 3
2.0844 5
2.0147 6
2.0844 5
2.0147 6
2 Te 2.7 4
1.988 4
1.9178 5
2.4178 6
1.8946 6
3 O 3.264 8
2.8135 4
3.043 5
3.1089 5
2.8624 6
2.3563 3
3.043 5
3.1089 5
2.8624 6
4 O 3.264 7
2.8135 3
2.7902 5
3.0308 5
2.7769 6
3.0308 5
2.7769 6
2.7902 5
5 O 3.264 8
2.7902 4
2.5486 6
3.043 3
3.1089 3
2.9096 6
3.0308 4
3.1287 5
2.8134 6
6 O 3.264 8
2.5486 5
2.8624 3
2.9096 5
3.1949 6
2.7769 4
2.8134 5
2.9594 6
2.9594 6
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 2 0 0 8.72 17.44 0.085 84.08 4 61.1 28.4
2 1 1 2 9.194 18.387 0.089 75.42 8 306.5 1282.5
3 2 1 1 10.344 20.687 0.1 59.13 16 366.0 2866.4
4 2 0 2 11.093 22.186 0.108 51.13 8 170.2 268.0
5 2 2 0 12.38 24.761 0.12 40.64 4 123.6 56.2
6 0 0 4 13.706 27.412 0.132 32.78 2 1068.4 1693.1
7 2 1 3 14.216 28.432 0.137 30.33 16 76.0 63.4
8 3 1 2 15.509 31.017 0.149 25.18 16 652.1 3874.4
9 3 2 1 16.239 32.479 0.156 22.8 16 559.0 2578.5
10 2 0 4 16.337 32.675 0.157 22.5 8 669.9 1827.3
11 4 0 0 17.65 35.301 0.169 19.02 4 202.2 70.4
12 4 1 1 18.548 37.096 0.178 17.06 16 494.5 1509.3
13 2 2 4 18.635 37.271 0.179 16.88 8 520.7 828.2
14 4 0 2 18.998 37.995 0.182 16.18 8 89.0 23.2
15 3 2 3 19.026 38.052 0.182 16.12 16 536.1 1677.1
16 3 1 4 19.697 39.394 0.188 14.93 16 180.7 176.4
17 4 2 0 19.816 39.631 0.189 14.74 8 672.0 1204.4
18 2 1 5 19.953 39.906 0.191 14.51 16 352.4 652.3
19 3 3 2 20.043 40.086 0.192 14.37 8 184.8 88.8
20 4 2 2 21.045 42.09 0.201 12.88 16 78.9 29.0
21 4 1 3 21.071 42.142 0.201 12.85 16 540.9 1360.6
22 1 1 6 21.791 43.583 0.208 11.92 8 317.7 217.7
23 4 3 1 22.557 45.115 0.214 11.02 16 51.8 10.7
24 4 0 4 22.632 45.264 0.215 10.94 8 299.0 177.1
25 2 0 6 22.731 45.461 0.216 10.83 8 405.7 322.7
26 3 2 5 23.767 47.533 0.225 9.79 16 659.5 1542.0
27 5 1 2 23.845 47.69 0.226 9.72 16 210.6 156.1
28 5 2 1 24.361 48.721 0.231 9.26 16 35.0 4.1
29 4 2 4 24.431 48.862 0.231 9.2 16 99.1 32.7
30 4 3 3 24.746 49.493 0.234 8.94 16 353.4 403.9
31 3 1 6 25.385 50.769 0.24 8.43 16 176.6 95.1
32 4 4 0 25.391 50.783 0.24 8.43 4 244.9 45.7
33 4 1 5 25.505 51.009 0.241 8.34 16 445.1 598.1
34 5 2 3 26.437 52.873 0.249 7.69 16 35.4 3.5
35 2 1 7 26.613 53.225 0.25 7.57 16 36.3 3.6
36 5 1 4 26.959 53.919 0.253 7.35 16 208.3 115.5
37 6 0 0 27.053 54.105 0.254 7.29 4 341.0 76.7
38 5 3 2 27.232 54.464 0.256 7.19 16 280.5 204.7
39 6 1 1 27.702 55.404 0.26 6.91 16 549.5 755.4
40 4 0 6 27.851 55.702 0.261 6.83 8 301.3 112.1
41 6 0 2 28.033 56.067 0.263 6.73 8 112.9 15.5
42 0 0 8 28.287 56.574 0.265 6.59 2 1239.9 458.4
43 3 3 6 28.641 57.282 0.268 6.41 8 399.1 184.8
44 6 2 0 28.647 57.294 0.268 6.41 8 758.5 666.9
45 4 3 5 28.751 57.503 0.269 6.35 16 127.6 37.4
46 5 4 1 29.273 58.546 0.273 6.1 16 48.9 5.3
47 4 4 4 29.335 58.669 0.274 6.07 8 619.8 422.0
48 4 2 6 29.417 58.834 0.275 6.03 16 184.4 74.2
49 6 2 2 29.593 59.186 0.276 5.95 16 68.9 10.2
50 6 1 3 29.613 59.227 0.276 5.94 16 431.8 401.1
51 3 2 7 29.777 59.553 0.278 5.87 16 335.8 239.6
52 2 0 8 29.838 59.675 0.278 5.84 8 141.5 21.2
53 5 3 4 30.099 60.199 0.28 5.73 16 242.4 121.9
54 5 2 5 30.287 60.574 0.282 5.65 16 29.3 1.8
55 6 3 1 30.793 61.585 0.286 5.45 16 307.8 186.8
56 6 0 4 30.852 61.705 0.287 5.42 8 689.9 467.3
57 5 4 3 31.123 62.246 0.289 5.32 16 23.7 1.1
58 4 1 7 31.282 62.563 0.29 5.26 16 401.5 307.0
59 2 2 8 31.341 62.682 0.291 5.24 8 21.2 0.4
60 5 1 6 31.674 63.348 0.294 5.12 16 561.6 584.4
61 3 1 8 32.077 64.154 0.297 4.98 16 208.8 78.6
62 6 2 4 32.328 64.656 0.299 4.9 16 216.7 83.2
63 6 3 3 32.592 65.184 0.301 4.81 16 367.3 234.9
64 6 4 0 33.135 66.27 0.306 4.64 8 16.7 0.2
65 6 1 5 33.231 66.462 0.306 4.62 16 343.8 197.5
66 5 5 2 33.294 66.588 0.307 4.6 8 1152.3 1104.7
67 7 1 2 33.294 66.588 0.307 4.6 16 486.0 393.0
68 7 2 1 33.712 67.423 0.31 4.48 16 398.6 257.5
69 6 4 2 34.008 68.016 0.313 4.4 16 0.0 0.0
70 2 1 9 34.016 68.031 0.313 4.39 16 533.8 453.2
71 4 3 7 34.178 68.356 0.314 4.35 16 444.5 311.2
72 4 0 8 34.235 68.47 0.314 4.34 8 34.0 0.9
73 5 3 6 34.553 69.106 0.317 4.25 16 422.3 274.7
74 5 4 5 34.653 69.305 0.318 4.23 16 0.1 0.0
75 6 0 6 35.255 70.509 0.323 4.08 8 348.7 89.9
76 7 2 3 35.433 70.866 0.324 4.04 16 423.9 262.9
77 5 2 7 35.582 71.164 0.325 4.01 16 126.9 23.4
78 4 2 8 35.637 71.275 0.326 4.0 16 432.7 270.9
79 7 1 4 35.876 71.752 0.328 3.95 16 51.7 3.8
80 6 3 5 36.048 72.096 0.329 3.91 16 61.7 5.4
81 7 3 2 36.109 72.217 0.329 3.9 16 266.2 100.0
82 6 5 1 36.512 73.023 0.333 3.81 16 47.2 3.1
83 6 4 4 36.567 73.133 0.333 3.8 16 530.0 386.6
84 6 2 6 36.64 73.28 0.334 3.79 16 172.6 40.8
85 3 2 9 36.805 73.61 0.335 3.76 16 295.3 118.6
86 1 1 10 37.012 74.024 0.337 3.72 8 140.4 13.3
87 8 0 0 37.331 74.661 0.339 3.66 4 44.3 0.6
88 2 0 10 37.694 75.389 0.342 3.6 8 451.4 132.6
89 5 1 8 37.7 75.4 0.342 3.59 16 386.2 194.1
90 7 4 1 37.879 75.758 0.343 3.56 16 118.7 18.2
91 8 1 1 37.879 75.758 0.343 3.56 16 209.9 56.8
92 8 0 2 38.161 76.323 0.345 3.52 8 26.1 0.4
93 4 1 9 38.169 76.338 0.345 3.52 16 353.3 158.8
94 6 5 3 38.179 76.359 0.346 3.51 16 140.2 25.0
95 6 1 7 38.324 76.648 0.347 3.49 16 395.2 197.4
96 7 3 4 38.61 77.221 0.349 3.45 16 44.1 2.4
97 8 2 0 38.688 77.376 0.349 3.44 8 35.1 0.8
98 7 2 5 38.778 77.556 0.35 3.42 16 422.1 220.7
99 8 2 2 39.509 79.019 0.356 3.32 16 6.9 0.1
100 7 4 3 39.527 79.055 0.356 3.32 16 339.8 138.6
101 8 1 3 39.527 79.055 0.356 3.32 16 79.8 7.6
102 5 4 7 39.67 79.341 0.357 3.3 16 1.1 0.0
103 3 1 10 39.719 79.438 0.357 3.29 16 496.2 293.3
104 4 4 8 39.724 79.448 0.357 3.29 8 34.4 0.7
105 5 5 6 40.026 80.051 0.36 3.25 8 851.5 426.6
106 7 1 6 40.026 80.051 0.36 3.25 16 154.8 28.2
107 6 6 0 40.031 80.062 0.36 3.25 4 142.4 6.0
108 5 3 8 40.392 80.785 0.362 3.21 16 354.3 145.7
109 8 3 1 40.568 81.136 0.364 3.19 16 472.9 257.9
110 8 0 4 40.622 81.243 0.364 3.18 8 598.8 206.4
111 6 4 6 40.693 81.385 0.364 3.17 16 20.6 0.5
112 4 3 9 40.853 81.705 0.366 3.15 16 213.5 52.0
113 6 3 7 41.005 82.01 0.367 3.14 16 472.2 253.2
114 6 0 8 41.058 82.116 0.367 3.13 8 147.4 12.3
115 6 5 5 41.451 82.903 0.37 3.09 16 42.4 2.0
116 7 5 2 41.51 83.019 0.37 3.09 16 167.7 31.4
117 4 0 10 41.717 83.434 0.372 3.06 8 465.4 120.1
118 8 2 4 41.95 83.899 0.374 3.04 16 484.5 258.6
119 5 2 9 42.179 84.359 0.375 3.02 16 44.3 2.1
120 8 3 3 42.19 84.379 0.375 3.02 16 391.8 167.9
121 2 1 11 42.321 84.641 0.376 3.01 16 335.8 122.8
122 3 3 10 42.379 84.757 0.377 3.0 8 60.7 2.0
123 6 2 8 42.384 84.768 0.377 3.0 16 487.0 257.9
124 7 3 6 42.682 85.363 0.379 2.98 16 398.4 171.1
125 8 4 0 42.687 85.374 0.379 2.98 8 546.4 161.0
126 7 4 5 42.775 85.55 0.38 2.97 16 14.0 0.2
127 8 1 5 42.775 85.55 0.38 2.97 16 348.2 130.4
128 4 2 10 43.039 86.079 0.382 2.95 16 175.2 32.8
129 6 6 4 43.271 86.543 0.383 2.93 8 326.6 56.6
130 8 4 2 43.493 86.986 0.385 2.92 16 11.3 0.1
131 7 2 7 43.651 87.302 0.386 2.91 16 230.0 55.7
132 7 5 4 43.931 87.861 0.388 2.89 16 164.5 28.3
133 9 1 2 44.152 88.304 0.389 2.88 16 265.8 73.5
134 7 6 1 44.536 89.073 0.392 2.85 16 254.4 66.8
135 9 2 1 44.536 89.073 0.392 2.85 16 192.5 38.3
136 8 0 6 44.659 89.319 0.393 2.85 8 179.3 16.6
137 6 1 9 44.818 89.635 0.394 2.84 16 277.3 79.0
138 3 2 11 44.958 89.916 0.395 2.83 16 357.9 131.2
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 2 9.194 18.387 5.59833 1282.5 33.1 33.4 5.6
2 2 1 1 10.344 20.687 4.98166 2866.4 74.0 74.6 5.6
3 2 0 2 11.093 22.186 4.64888 268.0 6.9 7.0 5.6
4 2 2 0 12.38 24.761 4.17193 56.2 1.5 1.5 5.6
5 0 0 4 13.706 27.412 3.775 1693.1 43.7 43.8 5.6
6 2 1 3 14.216 28.432 3.64224 63.4 1.6 1.6 5.6
7 3 1 2 15.509 31.017 3.34522 3874.4 100.0 100.0 5.6
8 3 2 1 16.239 32.479 3.19847 2578.5 66.6 66.5 5.6
9 2 0 4 16.337 32.675 3.17982 1827.3 47.2 47.1 5.6
10 4 0 0 17.65 35.301 2.95 70.4 1.8 1.8 5.7
11 4 1 1 18.548 37.096 2.81186 1509.3 39.0 38.7 5.7
12 2 2 4 18.635 37.271 2.79917 828.2 21.4 21.3 5.7
13 3 2 3 19.026 38.052 2.74374 1677.1 43.3 43.0 5.7
14 3 1 4 19.697 39.394 2.65381 176.4 4.6 4.5 5.7
15 4 2 0 19.816 39.631 2.63856 1204.4 31.1 30.8 5.7
16 2 1 5 19.953 39.906 2.62113 652.3 16.8 16.7 5.7
17 3 3 2 20.043 40.086 2.60983 88.8 2.3 2.3 5.7
18 4 1 3 21.071 42.142 2.48788 1389.6 35.9 35.5 5.7
19 1 1 6 21.791 43.583 2.40945 217.7 5.6 5.6 5.7
20 4 0 4 22.632 45.264 2.32444 177.1 4.6 4.5 5.7
21 2 0 6 22.731 45.461 2.31487 322.7 8.3 8.2 5.7
22 3 2 5 23.767 47.533 2.21944 1542.0 39.8 39.2 5.7
23 5 1 2 23.845 47.69 2.21257 156.1 4.0 4.0 5.7
24 4 3 3 24.746 49.493 2.13678 403.9 10.4 10.2 5.7
25 3 1 6 25.385 50.769 2.08648 140.8 3.6 3.6 5.8
26 4 1 5 25.505 51.009 2.07732 598.1 15.4 15.1 5.8
27 5 1 4 26.959 53.919 1.97296 115.5 3.0 2.9 5.8
28 6 0 0 27.053 54.105 1.96667 76.7 2.0 1.9 5.8
29 5 3 2 27.232 54.464 1.95468 204.7 5.3 5.2 5.8
30 6 1 1 27.702 55.404 1.92409 755.4 19.5 19.0 5.8
31 4 0 6 27.851 55.702 1.91461 112.1 2.9 2.8 5.8
32 0 0 8 28.287 56.574 1.8875 458.4 11.8 11.5 5.8
33 6 2 0 28.647 57.294 1.86574 851.7 22.0 21.4 5.8
34 4 4 4 29.335 58.669 1.82577 422.0 10.9 10.6 5.8
35 4 2 6 29.417 58.834 1.82112 74.2 1.9 1.9 5.8
36 6 1 3 29.613 59.227 1.81012 411.4 10.6 10.3 5.8
37 3 2 7 29.777 59.553 1.8011 239.6 6.2 6.0 5.8
38 5 3 4 30.099 60.199 1.78357 121.9 3.1 3.0 5.8
39 6 3 1 30.793 61.585 1.74722 186.8 4.8 4.7 5.8
40 6 0 4 30.852 61.705 1.74417 467.3 12.1 11.6 5.8
41 4 1 7 31.282 62.563 1.72262 307.0 7.9 7.6 5.8
42 5 1 6 31.674 63.348 1.70346 584.4 15.1 14.5 5.9
43 3 1 8 32.077 64.154 1.68429 78.6 2.0 2.0 5.9
44 6 2 4 32.328 64.656 1.67261 83.2 2.1 2.1 5.9
45 6 3 3 32.592 65.184 1.66055 234.9 6.1 5.8 5.9
46 6 1 5 33.231 66.462 1.63218 197.5 5.1 4.9 5.9
47 5 5 2 33.294 66.588 1.62944 1497.7 38.7 37.0 5.9
48 7 2 1 33.712 67.423 1.6116 257.5 6.6 6.4 5.9
49 2 1 9 34.016 68.031 1.59891 453.2 11.7 11.2 5.9
50 4 3 7 34.178 68.356 1.59223 311.2 8.0 7.7 5.9
51 5 3 6 34.553 69.106 1.57706 274.7 7.1 6.8 5.9
52 6 0 6 35.255 70.509 1.54963 89.9 2.3 2.2 5.9
53 7 2 3 35.433 70.866 1.54283 262.9 6.8 6.5 5.9
54 4 2 8 35.637 71.275 1.53515 270.9 7.0 6.6 5.9
55 7 3 2 36.109 72.217 1.51778 100.0 2.6 2.4 5.9
56 6 4 4 36.567 73.133 1.50138 386.6 10.0 9.4 6.0
57 6 2 6 36.64 73.28 1.49879 40.8 1.1 1.0 6.0
58 3 2 9 36.805 73.61 1.49302 118.6 3.1 2.9 6.0
59 5 1 8 37.7 75.4 1.46267 326.6 8.4 7.9 6.0
60 8 1 1 37.879 75.758 1.45678 75.0 1.9 1.8 6.0
61 4 1 9 38.169 76.338 1.44739 183.8 4.7 4.5 6.0
62 6 1 7 38.324 76.648 1.44243 197.4 5.1 4.8 6.0
63 7 2 5 38.778 77.556 1.42816 220.7 5.7 5.3 6.0
64 7 4 3 39.527 79.055 1.4054 146.2 3.8 3.5 6.0
65 3 1 10 39.719 79.438 1.39974 294.0 7.6 7.1 6.0
66 5 5 6 40.026 80.051 1.39079 460.8 11.9 11.1 6.0
67 5 3 8 40.392 80.785 1.3803 145.7 3.8 3.5 6.1
68 8 3 1 40.568 81.136 1.37534 257.9 6.7 6.2 6.1
69 8 0 4 40.622 81.243 1.37385 206.4 5.3 5.0 6.1
70 4 3 9 40.853 81.705 1.36744 52.0 1.3 1.2 6.1
71 6 3 7 41.005 82.01 1.36325 253.2 6.5 6.1 6.1
72 4 0 10 41.717 83.434 1.34415 120.1 3.1 2.9 6.1
73 8 2 4 41.95 83.899 1.33805 258.6 6.7 6.2 6.1
74 8 3 3 42.19 84.379 1.33186 170.0 4.4 4.1 6.1
75 2 1 11 42.321 84.641 1.32851 122.8 3.2 2.9 6.1
76 6 2 8 42.384 84.768 1.32691 259.9 6.7 6.2 6.1
77 7 3 6 42.682 85.363 1.31941 332.1 8.6 7.9 6.1
78 8 1 5 42.775 85.55 1.31709 130.4 3.4 3.1 6.1
79 6 6 4 43.271 86.543 1.30492 56.6 1.5 1.3 6.1
80 7 2 7 43.651 87.302 1.29582 55.7 1.4 1.3 6.2
81 9 1 2 44.152 88.304 1.28411 73.5 1.9 1.7 6.2
82 7 6 1 44.536 89.073 1.27532 105.1 2.7 2.5 6.2
83 6 1 9 44.818 89.635 1.269 79.0 2.0 1.9 6.2
84 3 2 11 44.958 89.916 1.26588 131.2 3.4 3.1 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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