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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FLEISCHERITE
1, f-fleischerite, DF
Pb(3)Ge(OH)(6)[SO(4)](2).3H(2)O
Hexagonal P 6(-)2c Z = 2
R =0.039
13 .12 .1993
Ref.Str.:
Otto H.H. (1975)
* Neues Jb. Miner., Abh., 123, 160-190
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.867 alpha = 90.0
b = 8.867 beta = 90.0
c = 10.875 gamma = 120.0
Unit cell volume (cub. angs.) = 740.48
Molar volume ( cub.cm/mol.) = 223.01
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Ge = 1.00
2 0.16 0.3173 0.25 0.0 Pb = 1.00
3 0.3333 0.6667 0.021 0.0 S = 1.00
4 0.3333 0.6667 0.857 2.9 O = 0.5 , O = 0.0
5 0.3333 0.6667 0.189 2.2 O = 0.5 , O = 0.0
6 0.52 0.48 0.25 5.2 O = 1.00
7 0.275 0.492 0.027 3.9 O = 1.00
8 0.095 0.1946 0.8921 0.94 O = 1.00
9 0.1504 0.3065 0.5628 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.16 0.3173 0.25
3 3 0.3333 0.6667 0.021
4 4 0.3333 0.6667 0.857
5 5 0.3333 0.6667 0.189
6 6 0.52 0.48 0.25
7 7 0.275 0.492 0.027
8 8 0.095 0.1946 0.8921
9 9 0.1504 0.3065 0.5628
10 2 0.6827 0.8427 0.25
11 2 0.1573 0.84 0.25
12 6 0.52 0.04 0.25
13 6 0.96 0.48 0.25
14 7 0.508 0.783 0.027
15 7 0.217 0.725 0.027
16 8 0.8054 0.9004 0.8921
17 8 0.0996 0.905 0.8921
18 9 0.6935 0.8439 0.5628
19 9 0.1561 0.8496 0.5628
20 1 0.0 0.0 0.5
21 3 0.3333 0.6667 0.479
22 4 0.3333 0.6667 0.643
23 5 0.3333 0.6667 0.311
24 7 0.275 0.492 0.473
25 8 0.095 0.1946 0.6079
26 9 0.1504 0.3065 0.9372
27 7 0.508 0.783 0.473
28 7 0.217 0.725 0.473
29 8 0.8054 0.9004 0.6079
30 8 0.0996 0.905 0.6079
31 9 0.6935 0.8439 0.9372
32 9 0.1561 0.8496 0.9372
33 2 0.3173 0.16 0.75
34 3 0.6667 0.3333 0.521
35 4 0.6667 0.3333 0.357
36 5 0.6667 0.3333 0.689
37 6 0.48 0.52 0.75
38 7 0.492 0.275 0.527
39 8 0.1946 0.095 0.3921
40 9 0.3065 0.1504 0.0628
41 2 0.8427 0.6827 0.75
42 2 0.84 0.1573 0.75
43 6 0.04 0.52 0.75
44 6 0.48 0.96 0.75
45 7 0.783 0.508 0.527
46 7 0.725 0.217 0.527
47 8 0.9004 0.8054 0.3921
48 8 0.905 0.0996 0.3921
49 9 0.8439 0.6935 0.0628
50 9 0.8496 0.1561 0.0628
51 3 0.6667 0.3333 0.979
52 4 0.6667 0.3333 0.143
53 5 0.6667 0.3333 0.811
54 7 0.492 0.275 0.973
55 8 0.1946 0.095 0.1079
56 9 0.3065 0.1504 0.4372
57 7 0.783 0.508 0.973
58 7 0.725 0.217 0.973
59 8 0.9004 0.8054 0.1079
60 8 0.905 0.0996 0.1079
61 9 0.8439 0.6935 0.4372
62 9 0.8496 0.1561 0.4372
X-ray density (g/cm cub.) = 4.65
MU (1/cm) = 991.673 Mass attenuation coefficient (cm**2/g) = 213.423
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ge 2.412 6
1.9001 8
1.9001 8
1.9002 8
1.9001 8
1.9001 8
1.9002 8
2 Pb 3.144 10
2.7639 5
2.7687 6
2.7823 7
2.79 6
2.7639 5
2.7823 7
2.6405 8
2.6195 8
2.6405 8
2.6195 8
3 S 1.98 5
1.7835 4
1.827 5
1.3676 7
1.3674 7
1.3667 7
4 O ,O 3.264 7
2.2987 7
2.2986 7
2.2981 7
2.3272 4
2.5358 6
2.5352 6
2.5352 6
5 O ,O 3.264 7
2.9431 6
2.2293 7
2.9423 6
2.9423 6
2.2292 7
2.2287 7
1.3267 5
6 O 3.264 4
2.9431 5
2.9431 5
2.5358 4
2.5358 4
7 O 3.264 5
2.2987 4
2.2293 5
2.7285 8
2.3654 7
2.3654 7
8 O 3.264 6
2.7285 7
2.5886 8
2.5886 8
3.0907 8
2.8013 8
2.7634 8
9 H 1.632 1
0.9894 8
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 1 0 0 6.689 13.378 0.065 144.45 6 143.8 3268.9
2 1 0 1 8.198 16.396 0.08 95.42 12 127.4 3389.5
3 0 0 2 9.468 18.936 0.092 70.99 2 303.3 2382.2
4 1 0 2 11.628 23.257 0.113 46.34 12 62.7 398.4
5 1 1 0 11.639 23.279 0.113 46.25 6 17.8 16.0
6 2 0 0 13.471 26.943 0.13 34.0 6 200.2 1491.4
7 2 0 1 14.303 28.607 0.138 29.94 12 354.0 8211.5
8 1 1 2 15.089 30.177 0.146 26.71 12 266.1 4137.7
9 1 0 3 15.834 31.669 0.153 24.07 12 83.7 369.4
10 2 0 2 16.57 33.14 0.159 21.82 12 199.1 1893.6
11 2 1 0 17.95 35.899 0.172 18.33 12 31.1 38.8
12 2 1 1 18.6 37.201 0.178 16.95 24 148.6 1637.3
13 0 0 4 19.208 38.416 0.184 15.79 2 523.4 1578.0
14 2 0 3 19.837 39.674 0.19 14.7 12 397.9 5095.0
15 1 0 4 20.427 40.853 0.195 13.77 12 67.2 136.0
16 2 1 2 20.447 40.893 0.195 13.74 24 39.4 93.2
17 3 0 0 20.453 40.906 0.195 13.73 6 91.2 124.9
18 3 0 1 21.038 42.076 0.201 12.89 12 30.3 26.0
19 1 1 4 22.701 45.403 0.216 10.87 12 60.6 87.3
20 3 0 2 22.72 45.44 0.216 10.85 12 204.6 994.1
21 2 1 3 23.253 46.506 0.221 10.29 24 167.8 1268.6
22 2 0 4 23.774 47.547 0.225 9.79 12 152.7 499.2
23 2 2 0 23.797 47.594 0.226 9.77 6 493.9 2606.9
24 3 1 0 24.833 49.666 0.235 8.86 12 68.7 91.5
25 1 0 5 25.304 50.608 0.239 8.49 12 147.0 401.7
26 3 0 3 25.327 50.653 0.239 8.48 12 126.1 294.8
27 3 1 1 25.338 50.676 0.239 8.47 24 112.3 467.1
28 2 2 2 25.833 51.665 0.244 8.1 12 339.0 2037.8
29 2 1 4 26.794 53.589 0.252 7.46 24 74.8 182.4
30 3 1 2 26.811 53.621 0.252 7.44 24 61.4 122.9
31 4 0 0 27.77 55.54 0.26 6.87 6 143.2 154.2
32 2 0 5 28.206 56.412 0.264 6.63 12 310.5 1399.5
33 4 0 1 28.237 56.475 0.264 6.62 12 337.0 1645.1
34 3 0 4 28.682 57.364 0.268 6.39 12 55.5 43.1
35 3 1 3 29.15 58.3 0.272 6.16 24 63.4 108.2
36 0 0 6 29.571 59.141 0.276 5.96 2 329.5 236.1
37 4 0 2 29.611 59.222 0.276 5.94 12 225.5 661.6
38 1 0 6 30.468 60.936 0.283 5.58 12 77.7 73.7
39 3 2 0 30.513 61.025 0.284 5.56 12 184.8 415.4
40 2 1 5 30.924 61.848 0.287 5.4 24 161.8 618.4
41 3 2 1 30.954 61.908 0.288 5.39 24 50.6 60.4
42 2 2 4 31.374 62.749 0.291 5.23 12 447.4 2290.3
43 4 0 3 31.818 63.637 0.295 5.07 12 288.1 920.8
44 1 1 6 32.218 64.436 0.298 4.93 12 205.2 454.6
45 3 1 4 32.242 64.484 0.298 4.92 24 114.3 281.7
46 3 2 2 32.256 64.513 0.298 4.92 24 99.6 213.8
47 4 1 0 32.261 64.523 0.298 4.92 12 38.8 16.2
48 3 0 5 32.66 65.321 0.302 4.79 12 58.4 35.8
49 4 1 1 32.689 65.378 0.302 4.78 24 79.2 131.1
50 2 0 6 33.074 66.148 0.305 4.66 12 192.4 377.9
51 4 1 2 33.956 67.912 0.312 4.41 24 181.1 633.5
52 3 2 3 34.368 68.737 0.316 4.3 24 52.3 51.6
53 4 0 4 34.776 69.552 0.319 4.2 12 96.6 85.8
54 2 1 6 35.578 71.157 0.325 4.01 24 26.8 12.6
55 5 0 0 35.62 71.239 0.326 4.0 6 47.1 9.7
56 1 0 7 35.973 71.947 0.328 3.93 12 41.1 14.5
57 3 1 5 36.001 72.001 0.329 3.92 24 81.4 113.8
58 4 1 3 36.019 72.038 0.329 3.92 24 44.8 34.4
59 5 0 1 36.028 72.056 0.329 3.91 12 182.5 285.1
60 3 0 6 37.206 74.413 0.338 3.68 12 204.2 335.9
61 3 2 4 37.229 74.458 0.338 3.68 24 164.3 434.5
62 5 0 2 37.242 74.485 0.338 3.68 12 60.4 29.4
63 3 3 0 37.247 74.494 0.338 3.67 6 36.0 5.2
64 4 2 0 38.051 76.101 0.345 3.54 12 124.3 119.5
65 2 0 7 38.396 76.792 0.347 3.48 12 311.5 739.2
66 4 0 5 38.423 76.845 0.347 3.48 12 260.2 514.9
67 4 2 1 38.449 76.898 0.348 3.47 24 275.8 1156.0
68 4 1 4 38.831 77.662 0.351 3.41 24 44.2 29.2
69 3 3 2 38.844 77.689 0.351 3.41 12 173.9 225.7
70 5 0 3 39.236 78.472 0.354 3.36 12 165.2 200.4
71 2 2 6 39.602 79.205 0.356 3.31 12 275.5 549.3
72 4 2 2 39.638 79.275 0.357 3.3 24 179.1 463.3
73 3 1 6 40.392 80.784 0.362 3.21 24 40.7 23.3
74 5 1 0 40.431 80.863 0.363 3.2 12 25.1 4.4
75 2 1 7 40.771 81.542 0.365 3.16 24 85.9 102.1
76 3 2 5 40.797 81.594 0.365 3.16 24 71.9 71.5
77 5 1 1 40.824 81.647 0.365 3.16 24 114.3 180.5
78 0 0 8 41.147 82.294 0.368 3.12 2 430.6 211.2
79 4 2 3 41.599 83.198 0.371 3.08 24 286.9 1108.3
80 1 0 8 41.93 83.86 0.374 3.04 12 118.5 93.5
81 5 0 4 41.983 83.965 0.374 3.04 12 7.1 0.3
82 5 1 2 41.996 83.991 0.374 3.04 24 23.1 7.1
83 3 0 7 42.337 84.674 0.376 3.01 12 48.8 15.7
84 4 1 5 42.363 84.727 0.377 3.01 24 66.4 58.0
85 4 0 6 42.741 85.483 0.379 2.97 12 200.0 260.4
86 1 1 8 43.49 86.98 0.385 2.92 12 53.7 18.4
87 3 3 4 43.542 87.084 0.385 2.91 12 47.3 14.2
88 5 1 3 43.939 87.878 0.388 2.89 24 87.1 95.9
89 2 0 8 44.268 88.536 0.39 2.87 12 125.7 99.1
90 4 2 4 44.32 88.64 0.391 2.87 24 140.2 246.3
91 6 0 0 44.338 88.675 0.391 2.86 6 374.7 439.9
92 6 0 1 44.725 89.45 0.393 2.84 12 11.1 0.8
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 0 0 6.689 13.378 7.67905 3268.9 39.8 40.2 5.6
2 1 0 1 8.198 16.396 6.27283 3389.5 41.3 41.6 5.6
3 0 0 2 9.468 18.936 5.4375 2382.2 29.0 29.2 5.6
4 1 0 2 11.628 23.257 4.43763 414.4 5.0 5.1 5.6
5 2 0 0 13.471 26.943 3.83952 1491.4 18.2 18.2 5.6
6 2 0 1 14.303 28.607 3.6205 8211.5 100.0 100.0 5.6
7 1 1 2 15.089 30.177 3.43609 4137.7 50.4 50.3 5.6
8 1 0 3 15.834 31.669 3.2781 369.4 4.5 4.5 5.6
9 2 0 2 16.57 33.14 3.13642 1893.6 23.1 23.0 5.6
10 2 1 1 18.6 37.201 2.80425 1637.3 19.9 19.8 5.7
11 0 0 4 19.208 38.416 2.71875 1578.0 19.2 19.1 5.7
12 2 0 3 19.837 39.674 2.63584 5095.0 62.0 61.4 5.7
13 1 0 4 20.427 40.853 2.56286 354.1 4.3 4.3 5.7
14 3 0 2 22.72 45.44 2.31591 1081.3 13.2 13.0 5.7
15 2 1 3 23.253 46.506 2.26567 1268.6 15.4 15.2 5.7
16 2 2 0 23.797 47.594 2.21675 3106.1 37.8 37.1 5.7
17 3 1 0 24.833 49.666 2.12978 91.5 1.1 1.1 5.7
18 1 0 5 25.304 50.608 2.09268 696.5 8.5 8.3 5.8
19 3 1 1 25.338 50.676 2.09008 467.1 5.7 5.6 5.8
20 2 2 2 25.833 51.665 2.05272 2037.8 24.8 24.2 5.8
21 2 1 4 26.794 53.589 1.9842 305.3 3.7 3.6 5.8
22 4 0 0 27.77 55.54 1.91976 154.2 1.9 1.8 5.8
23 2 0 5 28.206 56.412 1.89245 1399.5 17.0 16.5 5.8
24 4 0 1 28.237 56.475 1.89053 1645.1 20.0 19.4 5.8
25 3 1 3 29.15 58.3 1.8363 108.2 1.3 1.3 5.8
26 0 0 6 29.571 59.141 1.8125 236.1 2.9 2.8 5.8
27 4 0 2 29.611 59.222 1.81025 661.6 8.1 7.8 5.8
28 3 2 0 30.513 61.025 1.76169 415.4 5.1 4.9 5.8
29 2 1 5 30.924 61.848 1.74052 618.4 7.5 7.3 5.8
30 2 2 4 31.374 62.749 1.71805 2290.3 27.9 26.8 5.9
31 4 0 3 31.818 63.637 1.69654 920.8 11.2 10.8 5.9
32 1 1 6 32.218 64.436 1.67771 736.2 9.0 8.6 5.9
33 3 2 2 32.256 64.513 1.67593 230.0 2.8 2.7 5.9
34 4 1 1 32.689 65.378 1.65616 166.9 2.0 1.9 5.9
35 2 0 6 33.074 66.148 1.63905 377.9 4.6 4.4 5.9
36 4 1 2 33.956 67.912 1.60139 633.5 7.7 7.4 5.9
37 4 0 4 34.776 69.552 1.56821 85.8 1.0 1.0 5.9
38 5 0 1 36.028 72.056 1.52072 447.9 5.5 5.2 5.9
39 3 2 4 37.229 74.458 1.47844 805.0 9.8 9.2 6.0
40 4 2 0 38.051 76.101 1.4512 119.5 1.5 1.4 6.0
41 2 0 7 38.396 76.792 1.44015 1254.1 15.3 14.3 6.0
42 4 2 1 38.449 76.898 1.43845 1156.0 14.1 13.2 6.0
43 3 3 2 38.844 77.689 1.4261 254.9 3.1 2.9 6.0
44 5 0 3 39.236 78.472 1.41413 200.4 2.4 2.3 6.0
45 2 2 6 39.602 79.205 1.40317 549.3 6.7 6.2 6.0
46 4 2 2 39.638 79.275 1.40213 463.3 5.6 5.3 6.0
47 2 1 7 40.771 81.542 1.3697 173.5 2.1 2.0 6.1
48 5 1 1 40.824 81.647 1.36824 180.5 2.2 2.0 6.1
49 0 0 8 41.147 82.294 1.35938 211.2 2.6 2.4 6.1
50 4 2 3 41.599 83.198 1.34725 1108.3 13.5 12.5 6.1
51 1 0 8 41.93 83.86 1.33856 93.5 1.1 1.1 6.1
52 4 0 6 42.741 85.483 1.31792 260.4 3.2 2.9 6.1
53 5 1 3 43.939 87.878 1.28905 95.9 1.2 1.1 6.2
54 2 0 8 44.268 88.536 1.28143 99.1 1.2 1.1 6.2
55 6 0 0 44.338 88.675 1.27984 686.3 8.4 7.6 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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