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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PARTZITE
1, t-pyrochlore, syn,g-partzite
Cu(2)Sb(2)(O,OH)(7)
Cubic F d3m Z = 8
Fd3m
4 .5 .12
Ref.Str.:
Mason (1953)
* Mineral. Mag., 305, 103
R: The coordinates of O(pos.3) are from romeite [3]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.25 alpha = 90.0
b = 10.25 beta = 90.0
c = 10.25 gamma = 90.0
Unit cell volume (cub. angs.) = 1076.89
Molar volume ( cub.cm/mol.) = 81.08
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.625 0.625 0.625 0.0 Cu = 1.00
2 0.125 0.125 0.125 0.0 Sb = 1.00
3 0.23 0.0 0.0 0.0 O = 1.00
4 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 0.625 0.625 0.625
2 2 0.125 0.125 0.125
3 3 0.23 0.0 0.0
4 4 0.0 0.0 0.0
5 1 0.125 0.375 0.875
6 1 0.375 0.875 0.125
7 1 0.875 0.125 0.375
8 2 0.625 0.875 0.375
9 2 0.875 0.375 0.625
10 2 0.375 0.625 0.875
11 3 0.75 0.98 0.25
12 3 0.77 0.5 0.5
13 3 0.25 0.52 0.75
14 4 0.75 0.75 0.25
15 4 0.0 0.5 0.5
16 4 0.25 0.75 0.75
17 1 0.125 0.875 0.375
18 1 0.875 0.375 0.125
19 1 0.375 0.125 0.875
20 2 0.625 0.375 0.875
21 2 0.375 0.875 0.625
22 2 0.875 0.625 0.375
23 3 0.75 0.48 0.75
24 3 0.27 0.0 0.5
25 3 0.75 0.52 0.25
26 4 0.75 0.25 0.75
27 4 0.5 0.0 0.5
28 1 0.375 0.375 0.625
29 1 0.375 0.625 0.375
30 1 0.125 0.625 0.125
31 1 0.875 0.625 0.875
32 1 0.125 0.125 0.625
33 1 0.625 0.375 0.375
34 1 0.625 0.125 0.125
35 1 0.625 0.875 0.875
36 1 0.875 0.875 0.625
37 2 0.875 0.875 0.125
38 2 0.875 0.125 0.875
39 2 0.625 0.125 0.625
40 2 0.375 0.125 0.375
41 2 0.625 0.625 0.125
42 2 0.125 0.875 0.875
43 2 0.125 0.625 0.625
44 2 0.125 0.375 0.375
45 2 0.375 0.375 0.125
46 3 0.77 0.0 0.0
47 3 0.75 0.02 0.75
48 3 0.73 0.0 0.5
49 3 0.25 0.02 0.25
50 3 0.73 0.5 0.0
51 3 0.25 0.98 0.75
52 3 0.23 0.5 0.5
53 3 0.25 0.48 0.25
54 3 0.27 0.5 0.0
55 4 0.25 0.25 0.25
56 4 0.5 0.5 0.0
57 3 0.0 0.23 0.0
58 3 0.98 0.75 0.25
59 3 0.5 0.77 0.5
60 3 0.52 0.25 0.75
61 3 0.48 0.75 0.75
62 3 0.0 0.27 0.5
63 3 0.52 0.75 0.25
64 3 0.0 0.77 0.0
65 3 0.02 0.75 0.75
66 3 0.0 0.73 0.5
67 3 0.02 0.25 0.25
68 3 0.5 0.73 0.0
69 3 0.98 0.25 0.75
70 3 0.5 0.23 0.5
71 3 0.48 0.25 0.25
72 3 0.5 0.27 0.0
73 3 0.0 0.0 0.23
74 3 0.25 0.75 0.98
75 3 0.5 0.5 0.77
76 3 0.75 0.25 0.52
77 3 0.75 0.75 0.48
78 3 0.0 0.5 0.27
79 3 0.25 0.75 0.52
80 3 0.0 0.0 0.77
81 3 0.75 0.75 0.02
82 3 0.0 0.5 0.73
83 3 0.25 0.25 0.02
84 3 0.5 0.0 0.73
85 3 0.75 0.25 0.98
86 3 0.5 0.5 0.23
87 3 0.25 0.25 0.48
88 3 0.5 0.0 0.27
X-ray density (g/cm cub.) = 5.95
MU (1/cm) = 909.545 Mass attenuation coefficient (cm**2/g) = 152.835
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 6
2.3435 3
2.3435 3
2.3435 3
2.3435 3
2.3435 3
2.3435 3
2 Sb 2.712 8
2.1075 3
2.2192 4
2.1075 3
2.2192 4
2.1075 3
2.1075 3
2.1075 3
2.1075 3
3 O 3.264 5
2.3575 4
2.5788 3
2.5788 3
2.5788 3
2.5788 3
4 O 3.264 6
2.3575 3
2.3575 3
2.3575 3
2.3575 3
2.3575 3
2.3575 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 7.479 14.958 0.084 115.1 8 250.2 4971.5
2 2 2 0 12.272 24.544 0.138 41.39 12 47.0 94.6
3 1 1 3 14.433 28.865 0.162 29.37 24 123.7 929.5
4 2 2 2 15.089 30.179 0.169 26.7 8 1066.8 20964.9
5 4 0 0 17.493 34.987 0.195 19.39 6 720.7 5211.5
6 3 3 1 19.121 38.242 0.213 15.95 24 128.8 547.9
7 4 2 0 19.638 39.276 0.218 15.03 24 0.0 0.0
8 2 2 4 21.602 43.204 0.239 12.15 24 45.1 51.3
9 1 1 5 22.985 45.97 0.253 10.57 24 52.2 59.6
10 3 3 3 22.985 45.97 0.253 10.57 8 157.8 181.5
11 4 4 0 25.158 50.315 0.276 8.61 12 1161.2 12008.8
12 5 3 1 26.397 52.794 0.289 7.71 48 158.0 797.3
13 4 4 2 26.801 53.602 0.293 7.45 24 0.0 0.0
14 6 2 0 28.378 56.756 0.309 6.54 24 12.7 2.2
15 3 3 5 29.524 59.048 0.32 5.98 24 95.3 112.5
16 2 2 6 29.9 59.799 0.324 5.82 24 870.5 9122.3
17 4 4 4 31.376 62.752 0.338 5.23 8 669.4 1615.5
18 1 1 7 32.457 64.915 0.348 4.85 24 105.0 110.8
19 5 5 1 32.457 64.915 0.348 4.85 24 178.3 319.4
20 6 4 0 32.814 65.627 0.352 4.74 24 0.0 0.0
21 6 4 2 34.22 68.439 0.365 4.34 48 17.4 5.4
22 5 5 3 35.256 70.512 0.375 4.08 24 53.1 23.8
23 7 3 1 35.256 70.512 0.375 4.08 48 120.8 246.8
24 8 0 0 36.955 73.911 0.39 3.73 6 945.1 1723.0
25 3 3 7 37.961 75.922 0.399 3.55 24 63.4 29.6
26 4 4 6 38.294 76.588 0.402 3.5 24 0.0 0.0
27 8 2 0 38.294 76.588 0.402 3.5 24 0.0 0.0
28 2 2 8 39.618 79.236 0.414 3.3 24 42.5 12.3
29 6 6 0 39.618 79.236 0.414 3.3 12 2.0 0.0
30 5 5 5 40.603 81.206 0.422 3.18 8 21.8 1.0
31 7 5 1 40.603 81.206 0.422 3.18 48 81.1 86.6
32 6 6 2 40.93 81.86 0.425 3.15 24 753.2 3693.5
33 8 4 0 42.234 84.467 0.436 3.02 24 611.9 2337.9
34 1 1 9 43.207 86.415 0.444 2.94 24 144.0 126.1
35 7 5 3 43.207 86.415 0.444 2.94 48 91.5 101.9
36 8 4 2 43.532 87.063 0.447 2.92 48 0.0 0.0
37 6 6 4 44.827 89.653 0.458 2.84 24 3.4 0.1
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 7.479 14.958 5.91784 4971.5 23.7 24.0 5.6
2 1 1 3 14.433 28.865 3.09049 929.5 4.4 4.4 5.6
3 2 2 2 15.089 30.179 2.95892 20964.9 100.0 100.0 5.6
4 4 0 0 17.493 34.987 2.5625 5211.5 24.9 24.8 5.7
5 3 3 1 19.121 38.242 2.35151 547.9 2.6 2.6 5.7
6 3 3 3 22.985 45.97 1.97261 241.2 1.2 1.1 5.7
7 4 4 0 25.158 50.315 1.81196 12008.8 57.3 56.1 5.8
8 5 3 1 26.397 52.794 1.73257 797.3 3.8 3.7 5.8
9 2 2 6 29.9 59.799 1.54525 9122.3 43.5 42.1 5.8
10 4 4 4 31.376 62.752 1.47946 1615.5 7.7 7.4 5.9
11 5 5 1 32.457 64.915 1.43529 430.2 2.1 2.0 5.9
12 7 3 1 35.256 70.512 1.33444 270.7 1.3 1.2 5.9
13 8 0 0 36.955 73.911 1.28125 1723.0 8.2 7.8 6.0
14 6 6 2 40.93 81.86 1.17576 3693.5 17.6 16.4 6.1
15 8 4 0 42.234 84.467 1.14598 2337.9 11.2 10.3 6.1
16 1 1 9 43.207 86.415 1.12508 228.0 1.1 1.0 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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