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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LITHARGE
1, gamma, t-litharge, f-litharge
PbO
Tetragonal P 4/nmm Z = 2
P4/nmm
21 .4 .1992
Ref.Str.:
Wyckoff R.W.J. (1978)
* Crystal Structures, 1, 134
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.975 alpha = 90.0
b = 3.975 beta = 90.0
c = 5.023 gamma = 90.0
Unit cell volume (cub. angs.) = 79.37
Molar volume ( cub.cm/mol.) = 23.9
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.2385 0.0 Pb = 1.00
2 0.0 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 0.5 0.2385
2 2 0.0 0.0 0.0
3 1 0.5 0.0 0.7615
4 2 0.5 0.5 0.0
X-ray density (g/cm cub.) = 9.34
MU (1/cm) = 2018.541 Mass attenuation coefficient (cm**2/g) = 216.194
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.144 4
2.3206 2
2.3206 2
2.3206 2
2.3206 2
2 O 3.264 4
2.8107 2
2.8107 2
2.8107 2
2.8107 2
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 8.821 17.642 0.1 82.11 2 25.1 1646.8
2 1 0 1 14.307 28.614 0.16 29.92 8 135.7 69944.4
3 1 1 0 15.905 31.811 0.178 23.84 4 121.0 22169.6
4 0 0 2 17.861 35.721 0.199 18.53 2 116.9 8038.1
5 1 1 1 18.303 36.605 0.204 17.56 8 1.9 8.2
6 1 0 2 21.272 42.543 0.235 12.58 8 17.8 507.6
7 2 0 0 22.803 45.606 0.252 10.76 4 130.9 11712.7
8 1 1 2 24.287 48.573 0.267 9.32 8 126.9 19066.9
9 2 0 1 24.633 49.265 0.271 9.03 8 17.6 357.1
10 2 1 1 27.364 54.728 0.298 7.11 16 113.9 23437.4
11 0 0 3 27.39 54.781 0.299 7.09 2 16.2 59.4
12 2 0 2 29.619 59.239 0.321 5.94 8 102.1 7862.2
13 1 0 3 29.947 59.894 0.324 5.8 8 107.9 8577.0
14 2 1 2 32.064 64.128 0.345 4.98 16 15.5 304.2
15 1 1 3 32.377 64.754 0.348 4.88 8 30.2 565.0
16 2 2 0 33.236 66.473 0.356 4.61 4 113.0 3743.9
17 2 2 1 34.691 69.381 0.369 4.22 8 14.2 108.1
18 3 0 1 36.958 73.916 0.39 3.73 8 101.2 4848.3
19 2 0 3 36.98 73.961 0.39 3.72 8 15.5 114.1
20 3 1 0 37.791 75.583 0.398 3.58 8 94.3 4044.4
21 0 0 4 37.836 75.672 0.398 3.57 2 102.4 1189.4
22 2 2 2 38.908 77.816 0.408 3.4 8 92.2 3673.3
23 3 1 1 39.175 78.349 0.41 3.36 16 1.2 1.2
24 2 1 3 39.197 78.393 0.41 3.36 16 96.6 7964.4
25 1 0 4 40.037 80.074 0.418 3.25 8 27.9 321.9
26 3 0 2 41.093 82.187 0.427 3.13 8 13.9 77.3
27 1 1 4 42.209 84.418 0.436 3.02 8 86.2 2847.7
28 3 1 2 43.256 86.512 0.445 2.93 16 99.1 7320.9
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 8.821 17.642 5.023 1646.8 2.4 2.4 5.6
2 1 0 1 14.307 28.614 3.11705 69944.4 100.0 100.0 5.6
3 1 1 0 15.905 31.811 2.81075 22169.6 31.7 31.6 5.6
4 0 0 2 17.861 35.721 2.5115 8038.1 11.5 11.4 5.7
5 2 0 0 22.803 45.606 1.9875 11712.7 16.7 16.5 5.7
6 1 1 2 24.287 48.573 1.87279 19066.9 27.3 26.7 5.7
7 2 1 1 27.364 54.728 1.67582 23496.8 33.6 32.7 5.8
8 2 0 2 29.619 59.239 1.55852 7862.2 11.2 10.9 5.8
9 1 0 3 29.947 59.894 1.54303 8577.0 12.3 11.8 5.8
10 2 2 0 33.236 66.473 1.40537 3743.9 5.4 5.1 5.9
11 3 0 1 36.958 73.916 1.28118 4962.3 7.1 6.7 6.0
12 3 1 0 37.791 75.583 1.25701 4044.4 5.8 5.4 6.0
13 0 0 4 37.836 75.672 1.25575 1189.4 1.7 1.6 6.0
14 2 2 2 38.908 77.816 1.22642 3673.3 5.3 4.9 6.0
15 2 1 3 39.197 78.393 1.21883 7965.6 11.4 10.6 6.0
16 1 1 4 42.209 84.418 1.14653 2847.7 4.1 3.8 6.1
17 3 1 2 43.256 86.512 1.12407 7320.9 10.5 9.6 6.1
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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