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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PYROCHLORE
29, t-pyrochlore, analogue
Eu(2)MnSbO(7)
Cubic * Fd3m Z = 8
*Fd3m
15 .4 .19
Ref.Str.:
Kennedy B.J., Hunter B.A. (2000)
* J. Alloys Compd., 302, 94-100
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.316 alpha = 90.0
b = 10.316 beta = 90.0
c = 10.316 gamma = 90.0
Unit cell volume (cub. angs.) = 1097.83
Molar volume ( cub.cm/mol.) = 82.66
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.5 0.5 0.0 Eu = 1.00
2 0.0 0.0 0.0 0.0 Mn = 0.5 , Sb = 0.5
3 0.3237 0.125 0.125 0.0 O = 1.00
4 0.375 0.375 0.375 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.5 0.5
2 2 0.0 0.0 0.0
3 3 0.3237 0.125 0.125
4 4 0.375 0.375 0.375
5 3 0.6763 0.875 0.875
6 4 0.625 0.625 0.625
7 1 0.0 0.25 0.75
8 1 0.25 0.75 0.0
9 1 0.75 0.0 0.25
10 2 0.5 0.75 0.25
11 2 0.75 0.25 0.5
12 2 0.25 0.5 0.75
13 3 0.375 0.0737 0.375
14 3 0.4263 0.125 0.625
15 3 0.375 0.1763 0.875
16 4 0.125 0.125 0.625
17 4 0.375 0.875 0.875
18 4 0.625 0.125 0.125
19 3 0.625 0.4263 0.125
20 3 0.0737 0.375 0.375
21 3 0.125 0.8237 0.625
22 4 0.875 0.375 0.875
23 4 0.125 0.625 0.125
24 4 0.875 0.875 0.375
25 1 0.0 0.75 0.25
26 1 0.75 0.25 0.0
27 1 0.25 0.0 0.75
28 2 0.5 0.25 0.75
29 2 0.25 0.75 0.5
30 2 0.75 0.5 0.25
31 3 0.375 0.5737 0.875
32 3 0.9263 0.625 0.625
33 3 0.875 0.1763 0.375
34 3 0.625 0.9263 0.625
35 3 0.5737 0.875 0.375
36 3 0.625 0.8237 0.125
37 1 0.25 0.25 0.5
38 1 0.25 0.5 0.25
39 1 0.0 0.5 0.0
40 1 0.75 0.5 0.75
41 1 0.0 0.0 0.5
42 1 0.5 0.25 0.25
43 1 0.5 0.0 0.0
44 1 0.5 0.75 0.75
45 1 0.75 0.75 0.5
46 2 0.75 0.75 0.0
47 2 0.75 0.0 0.75
48 2 0.5 0.0 0.5
49 2 0.25 0.0 0.25
50 2 0.5 0.5 0.0
51 2 0.0 0.75 0.75
52 2 0.0 0.5 0.5
53 2 0.0 0.25 0.25
54 2 0.25 0.25 0.0
55 3 0.4263 0.625 0.125
56 3 0.875 0.6763 0.875
57 3 0.8237 0.125 0.625
58 3 0.375 0.6763 0.375
59 3 0.8237 0.625 0.125
60 3 0.875 0.0737 0.875
61 3 0.3237 0.625 0.625
62 3 0.875 0.5737 0.375
63 3 0.9263 0.125 0.125
64 3 0.0737 0.875 0.875
65 3 0.625 0.3237 0.625
66 3 0.1763 0.875 0.375
67 3 0.125 0.3237 0.125
68 3 0.1763 0.375 0.875
69 3 0.125 0.4263 0.625
70 3 0.6763 0.375 0.375
71 3 0.125 0.9263 0.125
72 3 0.5737 0.375 0.875
73 3 0.125 0.125 0.3237
74 3 0.875 0.875 0.6763
75 3 0.375 0.375 0.0737
76 3 0.125 0.625 0.4263
77 3 0.875 0.375 0.1763
78 3 0.625 0.125 0.8237
79 3 0.875 0.375 0.5737
80 3 0.625 0.625 0.9263
81 3 0.375 0.875 0.1763
82 3 0.125 0.625 0.8237
83 3 0.625 0.125 0.4263
84 3 0.375 0.375 0.6763
85 3 0.875 0.875 0.0737
86 3 0.625 0.625 0.3237
87 3 0.375 0.875 0.5737
88 3 0.125 0.125 0.9263
X-ray density (g/cm cub.) = 7.17
MU (1/cm) = 2138.996 Mass attenuation coefficient (cm**2/g) = 298.389
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Eu 2.796 8
2.2335 4
2.2335 4
2.5755 3
2.5755 3
2.5755 3
2.5755 3
2.5755 3
2.5755 3
2 Mn ,Sb 2.724 6
1.9758 3
1.9758 3
1.9758 3
1.9758 3
1.9758 3
1.9758 3
3 O 3.264 9
2.6854 3
2.6854 3
3.1082 4
2.8988 3
2.8988 3
2.8988 3
2.6854 3
2.6854 3
2.8988 3
4 O 3.264 6
3.1082 3
3.1082 3
3.1082 3
3.1082 3
3.1082 3
3.1082 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 1 1 1 7.431 14.862 0.084 116.62 8 94.7 694.7
2 2 2 0 12.192 24.385 0.137 41.96 12 10.6 4.7
3 3 1 0 13.658 27.316 0.153 33.03 24 0.0 0.0
4 1 1 3 14.338 28.677 0.161 29.78 24 73.5 320.8
5 2 2 2 14.991 29.981 0.168 27.08 8 1241.2 27695.6
6 4 0 0 17.378 34.756 0.194 19.67 6 936.9 8596.8
7 3 3 1 18.994 37.988 0.211 16.18 24 228.6 1684.9
8 2 2 4 21.457 42.914 0.237 12.34 24 66.4 108.3
9 1 1 5 22.829 45.659 0.252 10.73 24 169.6 614.3
10 3 3 3 22.829 45.659 0.252 10.73 8 54.6 21.2
11 4 4 0 24.985 49.971 0.274 8.74 12 1198.2 12495.9
12 5 3 0 25.81 51.62 0.283 8.12 24 0.0 0.0
13 5 3 1 26.215 52.431 0.287 7.84 48 101.4 321.0
14 4 4 2 26.616 53.232 0.291 7.57 24 0.0 0.0
15 6 2 0 28.18 56.36 0.307 6.65 24 68.5 62.1
16 3 3 5 29.317 58.633 0.318 6.08 24 44.6 24.1
17 2 2 6 29.689 59.378 0.322 5.91 24 971.5 11107.9
18 4 4 4 31.153 62.305 0.336 5.31 8 870.0 2667.7
19 7 1 0 31.869 63.739 0.343 5.05 24 0.0 0.0
20 1 1 7 32.225 64.449 0.346 4.93 24 116.5 133.4
21 5 5 1 32.225 64.449 0.346 4.93 24 17.0 2.8
22 6 4 2 33.971 67.941 0.363 4.41 48 18.2 5.8
23 5 5 3 34.997 69.995 0.372 4.15 24 111.8 103.1
24 7 3 1 34.997 69.995 0.372 4.15 48 19.7 6.4
25 8 0 0 36.68 73.36 0.388 3.78 6 955.7 1719.3
26 3 3 7 37.675 75.351 0.397 3.6 24 184.9 244.9
27 4 4 6 38.005 76.01 0.4 3.54 24 0.0 0.0
28 2 2 8 39.315 78.63 0.411 3.34 24 92.2 56.7
29 6 6 0 39.315 78.63 0.411 3.34 12 104.9 36.6
30 7 5 0 39.965 79.93 0.417 3.26 24 0.0 0.0
31 5 5 5 40.289 80.579 0.42 3.22 8 161.6 55.8
32 7 5 1 40.289 80.579 0.42 3.22 48 81.1 84.4
33 6 6 2 40.613 81.226 0.423 3.18 24 824.9 4310.2
34 8 4 0 41.902 83.803 0.434 3.05 24 769.1 3589.1
35 1 1 9 42.864 85.728 0.442 2.96 24 65.4 25.3
36 7 5 3 42.864 85.728 0.442 2.96 48 111.0 145.4
37 8 4 2 43.184 86.369 0.444 2.94 48 0.0 0.0
38 6 6 4 44.463 88.927 0.455 2.86 24 63.1 22.7
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 1 7.431 14.862 5.95595 694.7 2.5 2.5 5.6
2 1 1 3 14.338 28.677 3.11039 320.8 1.2 1.2 5.6
3 2 2 2 14.991 29.981 2.97797 27695.6 100.0 100.0 5.6
4 4 0 0 17.378 34.756 2.579 8596.8 31.0 30.9 5.7
5 3 3 1 18.994 37.988 2.36665 1684.9 6.1 6.0 5.7
6 1 1 5 22.829 45.659 1.98532 635.5 2.3 2.3 5.7
7 4 4 0 24.985 49.971 1.82363 12495.9 45.1 44.2 5.7
8 5 3 1 26.215 52.431 1.74372 321.0 1.2 1.1 5.8
9 2 2 6 29.689 59.378 1.5552 11107.9 40.1 38.8 5.8
10 4 4 4 31.153 62.305 1.48899 2667.7 9.6 9.3 5.8
11 8 0 0 36.68 73.36 1.2895 1719.3 6.2 5.9 6.0
12 6 6 2 40.613 81.226 1.18333 4310.2 15.6 14.5 6.1
13 8 4 0 41.902 83.803 1.15336 3589.1 13.0 12.0 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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