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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PERITE
1, t-nadotite, g-nadotite
PbBiO(2)Cl
Orthorhombic B mmb Z = 4
Bmmb
24 .3 .1988
Ref.Str.:
Gillberg M. (1960)
* Ark. Miner. Geol., 2, 565-570
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.627 alpha = 90.0
b = 5.575 beta = 90.0
c = 12.425 gamma = 90.0
Unit cell volume (cub. angs.) = 389.78
Molar volume ( cub.cm/mol.) = 58.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.25 0.385 0.0 Pb = 1.00
2 0.0 0.25 0.09 0.0 Bi = 1.00
3 0.0 0.25 0.75 0.0 Cl = 1.00
4 0.25 0.0 0.0 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 0.385
2 2 0.0 0.25 0.09
3 3 0.0 0.25 0.75
4 4 0.25 0.0 0.0
5 1 0.0 0.75 0.615
6 2 0.0 0.75 0.91
7 3 0.0 0.75 0.25
8 4 0.75 0.0 0.0
9 4 0.75 0.5 0.0
10 4 0.25 0.5 0.0
11 1 0.5 0.25 0.885
12 2 0.5 0.25 0.59
13 3 0.5 0.25 0.25
14 4 0.25 0.0 0.5
15 1 0.5 0.75 0.115
16 2 0.5 0.75 0.41
17 3 0.5 0.75 0.75
18 4 0.75 0.0 0.5
19 4 0.75 0.5 0.5
20 4 0.25 0.5 0.5
X-ray density (g/cm cub.) = 8.24
MU (1/cm) = 1743.591 Mass attenuation coefficient (cm**2/g) = 211.632
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.684 8
3.2533 3
3.2533 3
3.2756 3
3.2756 3
2.442 4
2.442 4
2.442 4
2.442 4
2 Bi 3.612 8
2.2742 4
3.4238 3
3.4238 3
2.2742 4
2.2742 4
2.2742 4
3.445 3
3.445 3
3 Cl 4.344 12
3.6838 4
3.6838 4
3.6838 4
3.6838 4
3.6838 4
3.9605 3
3.9605 3
3.9605 3
3.9605 3
3.6838 4
3.6838 4
3.6838 4
4 O 3.804 8
3.6838 3
3.6838 3
2.8135 4
2.8135 4
2.7875 4
2.7875 4
3.6838 3
3.6838 3
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 2 7.122 14.245 0.08 127.14 2 161.0 4337.4
2 1 0 1 8.643 17.286 0.098 85.63 4 30.5 209.7
3 0 1 2 10.699 21.397 0.121 55.13 4 21.9 69.8
4 1 1 1 11.779 23.558 0.133 45.11 8 280.3 18659.2
5 1 0 3 13.352 26.704 0.15 34.65 4 120.0 1313.0
6 0 0 4 14.358 28.716 0.161 29.7 2 333.4 4345.3
7 1 1 3 15.611 31.222 0.175 24.82 8 541.8 38363.5
8 2 0 0 15.889 31.779 0.178 23.9 2 539.3 9148.1
9 0 2 0 16.042 32.083 0.179 23.41 2 538.2 8925.5
10 0 1 4 16.491 32.983 0.184 22.05 4 140.1 1138.6
11 2 0 2 17.49 34.981 0.195 19.4 4 48.7 121.1
12 0 2 2 17.63 35.261 0.197 19.06 4 48.8 119.6
13 1 2 1 18.334 36.667 0.204 17.5 8 26.7 65.7
14 2 1 2 19.316 38.633 0.215 15.59 8 19.6 31.5
15 1 0 5 19.807 39.614 0.22 14.75 4 17.9 12.4
16 1 2 3 21.108 42.216 0.234 12.8 8 108.0 786.0
17 1 1 5 21.465 42.931 0.238 12.33 8 80.2 417.5
18 2 0 4 21.678 43.356 0.24 12.06 4 392.4 4886.4
19 0 2 4 21.795 43.59 0.241 11.91 4 391.7 4811.7
20 0 0 6 21.837 43.674 0.241 11.86 2 336.2 1764.7
21 2 2 0 22.892 45.784 0.253 10.66 4 569.8 9115.9
22 2 1 4 23.228 46.455 0.256 10.32 8 128.1 891.8
23 0 1 6 23.378 46.756 0.258 10.17 4 163.2 713.1
24 2 2 2 24.097 48.193 0.265 9.49 8 127.0 806.7
25 3 0 1 24.54 49.079 0.27 9.11 4 24.8 14.8
26 0 3 2 25.636 51.271 0.281 8.25 4 17.7 6.8
27 1 2 5 25.928 51.856 0.284 8.03 8 16.8 12.0
28 3 1 1 25.957 51.915 0.284 8.01 8 239.1 2412.9
29 1 3 1 26.161 52.323 0.286 7.87 8 238.6 2359.0
30 3 0 3 26.796 53.593 0.293 7.45 4 100.2 196.8
31 1 0 7 27.067 54.135 0.295 7.29 4 236.8 1075.3
32 2 2 4 27.472 54.944 0.299 7.04 8 295.3 3234.5
33 2 0 6 27.507 55.014 0.3 7.02 4 380.8 2681.0
34 0 2 6 27.605 55.211 0.301 6.97 4 380.2 2651.5
35 3 1 3 28.133 56.266 0.306 6.67 8 454.0 7242.1
36 1 3 3 28.326 56.652 0.308 6.57 8 452.8 7094.5
37 1 1 7 28.395 56.791 0.309 6.53 8 339.5 3966.1
38 2 1 6 28.822 57.643 0.313 6.32 8 152.0 768.3
39 0 3 4 28.882 57.765 0.314 6.29 4 119.3 235.5
40 0 0 8 29.733 59.465 0.322 5.89 2 221.4 379.9
41 3 2 1 29.924 59.848 0.324 5.81 8 23.4 16.8
42 2 3 2 30.797 61.594 0.332 5.45 8 16.3 7.6
43 3 0 5 30.965 61.931 0.334 5.38 4 16.0 3.6
44 0 1 8 30.987 61.974 0.334 5.37 4 112.2 178.2
45 3 2 3 31.923 63.845 0.343 5.03 8 93.8 233.1
46 1 2 7 32.166 64.332 0.346 4.95 8 222.1 1285.9
47 3 1 5 32.191 64.383 0.346 4.94 8 67.1 117.1
48 1 3 5 32.37 64.739 0.348 4.88 8 66.9 115.2
49 2 2 6 32.562 65.124 0.349 4.82 8 297.3 2243.5
50 4 0 0 33.2 66.4 0.355 4.62 2 491.9 1472.9
51 0 4 0 33.55 67.1 0.359 4.52 2 489.6 1427.3
52 2 3 4 33.725 67.45 0.36 4.47 8 112.5 297.9
53 0 3 6 33.844 67.687 0.362 4.44 4 142.7 238.0
54 4 0 2 34.154 68.308 0.364 4.36 4 108.2 134.2
55 0 4 2 34.5 69.0 0.368 4.27 4 107.6 130.1
56 2 0 8 34.507 69.014 0.368 4.27 4 152.2 260.3
57 0 2 8 34.593 69.186 0.369 4.24 4 152.1 258.5
58 1 4 1 34.941 69.882 0.372 4.16 8 22.2 10.8
59 1 0 9 35.064 70.129 0.373 4.13 4 125.0 169.8
60 4 1 2 35.322 70.644 0.375 4.07 8 15.2 5.0
61 2 1 8 35.67 71.339 0.379 3.99 8 106.2 237.0
62 3 2 5 35.735 71.469 0.379 3.98 8 15.3 4.9
63 3 3 1 35.928 71.857 0.381 3.93 8 212.4 935.1
64 1 1 9 36.219 72.439 0.384 3.87 8 183.6 687.2
65 3 0 7 36.689 73.378 0.388 3.78 4 210.4 440.6
66 1 4 3 36.796 73.593 0.389 3.76 8 88.4 154.7
67 4 0 4 36.948 73.897 0.39 3.73 4 268.1 705.7
68 0 4 4 37.283 74.566 0.393 3.67 4 267.2 689.2
69 3 3 3 37.764 75.528 0.398 3.58 8 403.2 3067.6
70 3 1 7 37.824 75.648 0.398 3.57 8 303.4 1731.9
71 4 2 0 37.831 75.662 0.398 3.57 4 414.6 1616.9
72 1 3 7 37.99 75.98 0.4 3.55 8 302.8 1712.0
73 2 4 0 38.08 76.16 0.4 3.53 4 413.6 1589.9
74 4 1 4 38.081 76.161 0.4 3.53 8 106.9 212.6
75 0 0 10 38.312 76.624 0.402 3.49 2 271.7 339.5
76 2 3 6 38.359 76.718 0.403 3.49 8 135.2 335.6
77 4 2 2 38.737 77.474 0.406 3.43 8 52.8 50.4
78 2 4 2 38.984 77.968 0.408 3.39 8 52.8 49.7
79 2 2 8 39.073 78.146 0.409 3.38 8 193.6 667.1
80 0 1 10 39.431 78.863 0.412 3.33 4 277.4 674.4
81 1 2 9 39.606 79.211 0.414 3.31 8 118.5 244.5
82 0 3 8 40.268 80.536 0.42 3.22 4 100.9 86.3
83 1 4 5 40.412 80.824 0.421 3.2 8 14.7 3.6
84 3 2 7 41.169 82.338 0.427 3.12 8 200.2 658.3
85 3 3 5 41.354 82.709 0.429 3.1 8 60.2 59.1
86 4 2 4 41.42 82.839 0.429 3.09 8 301.4 1480.5
87 4 0 6 41.449 82.898 0.43 3.09 4 271.5 599.8
88 2 4 4 41.663 83.326 0.431 3.07 8 300.6 1460.6
89 0 4 6 41.773 83.546 0.432 3.06 4 270.6 590.0
90 4 1 6 42.549 85.098 0.439 2.99 8 129.1 262.5
91 2 0 10 42.665 85.329 0.44 2.98 4 213.8 358.8
92 0 2 10 42.745 85.491 0.441 2.97 4 213.7 357.4
93 5 0 1 43.413 86.826 0.446 2.92 4 20.4 3.2
94 3 4 1 43.735 87.471 0.449 2.9 8 20.4 6.3
95 2 1 10 43.761 87.521 0.449 2.9 8 264.9 1071.2
96 3 0 9 43.851 87.703 0.45 2.89 4 113.2 97.7
97 1 0 11 44.07 88.141 0.451 2.88 4 208.1 328.4
98 4 3 2 44.255 88.511 0.453 2.87 8 13.6 2.8
99 5 1 1 44.508 89.015 0.455 2.85 8 193.2 560.8
100 0 5 2 44.577 89.155 0.456 2.85 4 13.5 1.4
101 2 3 8 44.584 89.168 0.456 2.85 8 96.5 139.8
102 3 1 9 44.945 89.891 0.459 2.83 8 167.4 417.7
103 1 5 1 44.99 89.981 0.459 2.83 8 192.2 550.3
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 2 7.122 14.245 6.2125 4337.4 11.3 11.4 5.6
2 1 1 1 11.779 23.558 3.77333 18659.2 48.6 48.9 5.6
3 1 0 3 13.352 26.704 3.33556 1313.0 3.4 3.4 5.6
4 0 0 4 14.358 28.716 3.10625 4345.3 11.3 11.4 5.6
5 1 1 3 15.611 31.222 2.86235 38363.5 100.0 100.0 5.6
6 2 0 0 15.889 31.779 2.8135 9148.1 23.8 23.8 5.6
7 0 2 0 16.042 32.083 2.7875 8925.5 23.3 23.2 5.6
8 0 1 4 16.491 32.983 2.71348 1138.6 3.0 3.0 5.6
9 1 2 3 21.108 42.216 2.13893 786.0 2.0 2.0 5.7
10 1 1 5 21.465 42.931 2.10494 417.5 1.1 1.1 5.7
11 2 0 4 21.678 43.356 2.08528 4886.4 12.7 12.6 5.7
12 0 2 4 21.795 43.59 2.07463 4811.7 12.5 12.4 5.7
13 0 0 6 21.837 43.674 2.07083 1764.7 4.6 4.5 5.7
14 2 2 0 22.892 45.784 1.98019 9115.9 23.8 23.4 5.7
15 2 1 4 23.228 46.455 1.95312 891.8 2.3 2.3 5.7
16 0 1 6 23.378 46.756 1.94124 713.1 1.9 1.8 5.7
17 2 2 2 24.097 48.193 1.88667 806.7 2.1 2.1 5.7
18 3 1 1 25.957 51.915 1.75983 2412.9 6.3 6.2 5.8
19 1 3 1 26.161 52.323 1.74706 2359.0 6.1 6.0 5.8
20 1 0 7 27.067 54.135 1.69278 1075.3 2.8 2.7 5.8
21 2 2 4 27.472 54.944 1.66976 3234.5 8.4 8.2 5.8
22 2 0 6 27.507 55.014 1.66778 2681.0 7.0 6.8 5.8
23 0 2 6 27.605 55.211 1.66231 2651.5 6.9 6.7 5.8
24 3 1 3 28.133 56.266 1.63362 7242.1 18.9 18.4 5.8
25 1 3 3 28.326 56.652 1.62339 7094.5 18.5 18.0 5.8
26 1 1 7 28.395 56.791 1.61976 3966.1 10.3 10.1 5.8
27 2 1 6 28.822 57.643 1.59781 768.3 2.0 1.9 5.8
28 1 2 7 32.166 64.332 1.44688 1403.0 3.7 3.5 5.9
29 2 2 6 32.562 65.124 1.43118 2243.5 5.8 5.6 5.9
30 4 0 0 33.2 66.4 1.40675 1472.9 3.8 3.7 5.9
31 0 4 0 33.55 67.1 1.39375 1427.3 3.7 3.6 5.9
32 2 0 8 34.507 69.014 1.35971 390.3 1.0 1.0 5.9
33 3 3 1 35.928 71.857 1.31274 935.1 2.4 2.3 5.9
34 1 1 9 36.219 72.439 1.30362 687.2 1.8 1.7 5.9
35 3 0 7 36.689 73.378 1.28923 440.6 1.1 1.1 6.0
36 4 0 4 36.948 73.897 1.28146 705.7 1.8 1.7 6.0
37 0 4 4 37.283 74.566 1.27161 689.2 1.8 1.7 6.0
38 3 3 3 37.764 75.528 1.25778 3067.6 8.0 7.5 6.0
39 3 1 7 37.824 75.648 1.25609 3348.9 8.7 8.2 6.0
40 1 3 7 37.99 75.98 1.25142 1712.0 4.5 4.2 6.0
41 2 4 0 38.08 76.16 1.24891 1802.5 4.7 4.4 6.0
42 2 2 8 39.073 78.146 1.22207 667.1 1.7 1.6 6.0
43 0 1 10 39.431 78.863 1.21275 674.4 1.8 1.6 6.0
44 3 2 7 41.169 82.338 1.17014 658.3 1.7 1.6 6.1
45 4 2 4 41.42 82.839 1.16432 2080.2 5.4 5.0 6.1
46 2 4 4 41.663 83.326 1.15876 1460.6 3.8 3.5 6.1
47 0 4 6 41.773 83.546 1.15626 590.0 1.5 1.4 6.1
48 2 1 10 43.761 87.521 1.11369 1077.5 2.8 2.6 6.2
49 5 1 1 44.508 89.015 1.09883 560.8 1.5 1.3 6.2
50 3 1 9 44.945 89.891 1.09038 417.7 1.1 1.0 6.2
51 1 5 1 44.99 89.981 1.08952 550.3 1.4 1.3 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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