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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BASTNASITE-(ND)
1, t-bastnasite, f-parisite, g-bastnasite
(Nd,La,Ce)[CO(3)]F
Hexagonal P 6(-)2c Z = 6
P6(-)2c
2 .7 .25
Ref.Str.:
R. Miyawaki, K. Yokoyama, T.A. Husdal (2013)
* Eur. J. Mineral., 25, 187–191
L: $Nd0.353 La0.253 Ce0.251 Pr0.086 Sm0.037 Gd0.016 Y0.004
Dy0.001 C1.0 O2.978 F1.044$
R: locality - Stetind pegmatite, Tysfjord, Nordland,Norway.
The coordinates of atoms are from BASTNASITE-(Ce) [2].
IMA2011–062. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.0792 alpha = 90.0
b = 7.0792 beta = 90.0
c = 9.721 gamma = 120.0
Unit cell volume (cub. angs.) = 421.9
Molar volume ( cub.cm/mol.) = 42.35
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3394 0.0 0.0 0.0 Nd = 0.35, Ce = 0.25, La = 0.25, Pr = 0.15
2 0.322 0.29 0.25 0.0 C = 1.00
3 0.316 0.109 0.25 0.0 O = 1.00
4 0.3245 0.3828 0.1354 0.0 O = 1.00
5 0.0 0.0 0.0 0.0 F = 1.00
6 0.6667 0.3333 0.051 0.0 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3394 0.0 0.0
2 2 0.322 0.29 0.25
3 3 0.316 0.109 0.25
4 4 0.3245 0.3828 0.1354
5 5 0.0 0.0 0.0
6 6 0.6667 0.3333 0.051
7 1 0.0 0.3394 0.0
8 1 0.6606 0.6606 0.0
9 2 0.71 0.032 0.25
10 2 0.968 0.678 0.25
11 3 0.891 0.207 0.25
12 3 0.793 0.684 0.25
13 4 0.6172 0.9417 0.1354
14 4 0.0583 0.6755 0.1354
15 1 0.3394 0.0 0.5
16 4 0.3245 0.3828 0.3646
17 5 0.0 0.0 0.5
18 6 0.6667 0.3333 0.449
19 1 0.0 0.3394 0.5
20 1 0.6606 0.6606 0.5
21 4 0.6172 0.9417 0.3646
22 4 0.0583 0.6755 0.3646
23 2 0.29 0.322 0.75
24 3 0.109 0.316 0.75
25 4 0.3828 0.3245 0.6354
26 6 0.3333 0.6667 0.551
27 2 0.032 0.71 0.75
28 2 0.678 0.968 0.75
29 3 0.207 0.891 0.75
30 3 0.684 0.793 0.75
31 4 0.9417 0.6172 0.6354
32 4 0.6755 0.0583 0.6354
33 4 0.3828 0.3245 0.8646
34 6 0.3333 0.6667 0.949
35 4 0.9417 0.6172 0.8646
36 4 0.6755 0.0583 0.8646
X-ray density (g/cm cub.) = 5.2
MU (1/cm) = 1301.322 Mass attenuation coefficient (cm**2/g) = 250.126
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Nd ,Ce ,La ,Pr 2.88 9
2.5801 3
2.4027 5
2.3905 6
2.5656 4
2.5294 4
2.5801 3
2.5295 4
2.3902 6
2.5655 4
2 C 1.872 3
1.2606 3
1.2889 4
1.2889 4
3 O 3.264 10
2.2102 4
3.1272 5
2.9129 6
3.117 4
2.8963 4
2.2102 4
3.1272 5
2.9129 6
3.117 4
2.8963 4
4 O 3.264 8
2.2102 3
2.851 5
2.741 6
2.8963 3
3.117 3
2.2281 4
2.7278 4
2.6835 6
5 F 3.228 12
3.1272 3
2.851 4
3.1272 3
3.1272 3
2.8509 4
2.851 4
3.1272 3
3.1272 3
3.1272 3
2.851 4
2.8509 4
2.851 4
6 F 3.228 9
2.9129 3
2.741 4
2.9125 3
2.913 3
2.7404 4
2.7407 4
2.6835 4
2.6832 4
2.6829 4
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 0 0 7.218 14.436 0.082 123.74 6 1.8 1.4
2 1 0 1 8.542 17.085 0.096 87.7 12 9.2 49.9
3 0 0 2 9.119 18.237 0.103 76.7 2 264.3 6021.5
4 1 0 2 11.668 23.336 0.131 46.01 12 13.8 58.9
5 1 1 0 12.569 25.138 0.141 39.36 6 243.3 7855.2
6 2 0 0 14.553 29.107 0.163 28.85 6 2.6 0.7
7 2 0 1 15.277 30.553 0.171 26.01 12 9.2 14.9
8 1 0 3 15.597 31.195 0.175 24.87 12 2.2 0.8
9 1 1 2 15.617 31.234 0.175 24.8 12 262.3 11503.7
10 2 0 2 17.283 34.565 0.193 19.91 12 33.8 153.2
11 0 0 4 18.479 36.958 0.206 17.2 2 275.8 1470.1
12 2 1 0 19.416 38.831 0.216 15.42 12 9.3 9.0
13 1 0 4 19.935 39.869 0.221 14.54 12 17.6 30.3
14 2 1 1 19.982 39.965 0.222 14.46 24 34.8 236.7
15 2 0 3 20.237 40.474 0.225 14.06 12 56.1 298.7
16 2 1 2 21.608 43.217 0.239 12.14 24 19.5 62.0
17 3 0 0 22.143 44.287 0.245 11.49 6 337.8 4420.9
18 1 1 4 22.611 45.222 0.25 10.96 12 273.8 5542.5
19 3 0 1 22.654 45.308 0.25 10.92 12 6.5 3.1
20 2 0 4 23.859 47.717 0.263 9.71 12 1.1 0.1
21 2 1 3 24.121 48.242 0.265 9.47 24 16.5 34.9
22 3 0 2 24.135 48.27 0.265 9.46 12 254.0 4112.8
23 1 0 5 24.56 49.119 0.27 9.09 12 36.6 81.9
24 2 2 0 25.8 51.601 0.283 8.13 6 193.4 1024.4
25 3 0 3 26.463 52.927 0.289 7.67 12 4.0 0.8
26 3 1 0 26.937 53.874 0.294 7.37 12 14.7 10.7
27 2 1 4 27.342 54.685 0.298 7.12 24 20.3 39.6
28 3 1 1 27.38 54.759 0.299 7.1 24 18.4 32.4
29 2 2 2 27.593 55.186 0.301 6.97 12 230.3 2493.4
30 2 0 5 27.98 55.96 0.305 6.76 12 16.7 12.7
31 0 0 6 28.388 56.775 0.309 6.54 2 209.6 322.8
32 3 1 2 28.681 57.361 0.312 6.39 24 25.2 54.9
33 1 0 6 29.456 58.912 0.319 6.02 12 0.3 0.0
34 3 0 4 29.503 59.007 0.32 5.99 12 216.7 1898.1
35 4 0 0 30.17 60.34 0.326 5.7 6 35.9 24.7
36 4 0 1 30.582 61.165 0.33 5.53 12 27.6 28.4
37 3 1 3 30.77 61.54 0.332 5.46 24 5.9 2.5
38 2 1 5 31.143 62.286 0.336 5.31 24 21.9 34.3
39 1 1 6 31.525 63.05 0.339 5.17 12 202.6 1430.7
40 4 0 2 31.8 63.601 0.342 5.07 12 14.6 7.3
41 2 0 6 32.531 65.062 0.349 4.83 12 34.9 39.6
42 2 2 4 32.576 65.152 0.349 4.82 12 206.9 1390.1
43 3 0 5 33.151 66.302 0.355 4.64 12 2.8 0.3
44 3 2 0 33.207 66.413 0.355 4.62 12 20.7 13.3
45 3 1 4 33.565 67.13 0.359 4.52 24 12.6 9.7
46 3 2 1 33.598 67.196 0.359 4.51 24 12.8 10.0
47 4 0 3 33.776 67.553 0.361 4.46 12 3.5 0.4
48 1 0 7 34.661 69.322 0.369 4.23 12 8.2 1.9
49 3 2 2 34.759 69.518 0.37 4.2 24 20.6 24.1
50 4 1 0 35.153 70.306 0.374 4.11 12 171.2 812.3
51 2 1 6 35.459 70.918 0.377 4.04 24 18.5 18.6
52 4 1 1 35.534 71.069 0.377 4.02 24 5.2 1.4
53 4 0 4 36.453 72.906 0.386 3.83 12 3.7 0.4
54 3 2 3 36.657 73.314 0.388 3.79 24 31.3 50.0
55 4 1 2 36.668 73.336 0.388 3.78 24 204.9 2141.7
56 3 1 5 37.0 74.0 0.391 3.72 24 33.2 55.1
57 3 0 6 37.353 74.705 0.394 3.66 12 203.8 1024.0
58 2 0 7 37.513 75.025 0.395 3.63 12 23.7 13.7
59 4 1 3 38.529 77.057 0.404 3.46 24 5.3 1.3
60 5 0 0 38.918 77.836 0.408 3.4 6 11.6 1.5
61 3 2 4 39.254 78.509 0.411 3.35 24 28.7 37.1
62 5 0 1 39.286 78.571 0.411 3.35 12 1.7 0.1
63 0 0 8 39.339 78.678 0.411 3.34 2 251.4 237.3
64 4 0 5 39.788 79.577 0.415 3.28 12 28.8 18.4
65 2 2 6 40.133 80.266 0.418 3.24 12 198.8 863.2
66 1 0 8 40.259 80.518 0.419 3.22 12 11.4 2.8
67 2 1 7 40.29 80.58 0.42 3.22 24 7.8 2.7
68 5 0 2 40.383 80.765 0.421 3.21 12 33.4 24.2
69 3 3 0 40.757 81.514 0.424 3.16 6 218.1 507.5
70 3 1 6 41.049 82.097 0.426 3.13 24 16.8 11.9
71 4 1 4 41.09 82.179 0.427 3.13 24 183.6 1422.4
72 4 2 0 41.67 83.339 0.432 3.07 12 21.6 9.6
73 4 2 1 42.031 84.063 0.435 3.04 24 9.8 3.9
74 1 1 8 42.084 84.169 0.435 3.03 12 186.3 709.4
75 3 0 7 42.115 84.23 0.435 3.03 12 3.4 0.2
76 5 0 3 42.197 84.394 0.436 3.02 12 23.7 11.4
77 3 3 2 42.207 84.414 0.436 3.02 12 206.7 869.8
78 3 2 5 42.528 85.055 0.439 2.99 24 21.3 18.3
79 2 0 8 42.992 85.984 0.443 2.95 12 14.0 3.9
80 4 2 2 43.115 86.229 0.444 2.95 24 19.2 14.7
81 4 0 6 43.774 87.548 0.449 2.9 12 12.2 2.9
82 4 1 5 44.339 88.679 0.454 2.86 24 5.0 1.0
83 5 1 0 44.39 88.781 0.454 2.86 12 24.5 11.6
84 5 0 4 44.72 89.439 0.457 2.84 12 18.4 6.5
85 5 1 1 44.75 89.5 0.457 2.84 24 20.2 15.6
86 4 2 3 44.915 89.83 0.458 2.83 24 14.9 8.4
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 9.119 18.237 4.8605 6021.5 52.3 52.9 5.6
2 1 1 0 12.569 25.138 3.5396 7855.2 68.3 68.6 5.6
3 1 1 2 15.617 31.234 2.86129 11503.7 100.0 100.0 5.6
4 2 0 2 17.283 34.565 2.59281 153.2 1.3 1.3 5.7
5 0 0 4 18.479 36.958 2.43025 1470.1 12.8 12.7 5.7
6 2 1 1 19.982 39.965 2.25406 236.7 2.1 2.0 5.7
7 2 0 3 20.237 40.474 2.22683 298.7 2.6 2.6 5.7
8 3 0 0 22.143 44.287 2.04359 4420.9 38.4 38.0 5.7
9 1 1 4 22.611 45.222 2.00348 5542.5 48.2 47.5 5.7
10 3 0 2 24.135 48.27 1.88385 4147.7 36.1 35.4 5.7
11 2 2 0 25.8 51.601 1.7698 1024.4 8.9 8.7 5.8
12 2 2 2 27.593 55.186 1.66299 2493.4 21.7 21.1 5.8
13 0 0 6 28.388 56.775 1.62017 322.8 2.8 2.7 5.8
14 3 0 4 29.503 59.007 1.5641 1898.1 16.5 16.0 5.8
15 1 1 6 31.525 63.05 1.47318 1430.7 12.4 12.0 5.9
16 2 2 4 32.576 65.152 1.43064 1390.1 12.1 11.6 5.9
17 4 1 0 35.153 70.306 1.33784 812.3 7.1 6.7 5.9
18 4 1 2 36.668 73.336 1.28987 2191.8 19.1 18.0 6.0
19 3 0 6 37.353 74.705 1.26958 1024.0 8.9 8.4 6.0
20 0 0 8 39.339 78.678 1.21512 237.3 2.1 1.9 6.0
21 2 2 6 40.133 80.266 1.19504 863.2 7.5 7.0 6.0
22 3 3 0 40.757 81.514 1.17987 507.5 4.4 4.1 6.1
23 4 1 4 41.09 82.179 1.17199 1422.4 12.4 11.5 6.1
24 1 1 8 42.084 84.169 1.14929 709.4 6.2 5.7 6.1
25 3 3 2 42.207 84.414 1.14657 881.2 7.7 7.1 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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