Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
XENOTIME-(GD)
1, t-zircon, f-monazite
(Gd,Y,Dy,Sm)PO(4)
Tetragonal * I4(1)/amd Z = 4
*I4(1)/amd
8 .4 .25
Ref.Str.:
Ondrejka M., Bacik P., Majzlan J., Uher P., Ferenc S., Stevko M.,
Caplovicova M., Milovska S., Mikus T., Rotler C., Matthes C.,
Molnarova A. (2024) * Mineral. Mag., 88, 613-622,
doi:10.1180/mgm.2024.62
L: $Gd0.37 Y0.32 Dy0.13 Sm0.08 Tb0.05 Eu0.02 Er0.01 Tm0.01 Nd0.01
P0.98 As0.01 Si0.01 O4$
R: Locality - Zimna Voda REE-U-Au occurrence, Prakovce,
Western Carpathians, Slovakia.
The coordinates of atoms are from XENOTIME-(Y) [2]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.9589 alpha = 90.0
b = 6.9589 beta = 90.0
c = 6.0518 gamma = 90.0
Unit cell volume (cub. angs.) = 293.07
Molar volume ( cub.cm/mol.) = 44.13
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.75 0.125 0.0 Gd = 0.37, Y = 0.32, Dy = 0.13, Sm = 0.18
2 0.0 0.25 0.375 0.0 P = 1.00
3 0.0 0.0753 0.2158 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.75 0.125
2 2 0.0 0.25 0.375
3 3 0.0 0.0753 0.2158
4 1 0.0 0.25 0.875
5 2 0.0 0.75 0.625
6 3 0.0 0.9247 0.7842
7 1 0.5 0.75 0.375
8 2 0.5 0.25 0.125
9 3 0.5 0.0753 0.2842
10 1 0.5 0.25 0.625
11 2 0.5 0.75 0.875
12 3 0.5 0.9247 0.7158
13 3 0.0 0.5753 0.7842
14 3 0.0 0.4247 0.2158
15 3 0.5 0.5753 0.7158
16 3 0.5 0.4247 0.2842
17 3 0.6747 0.25 0.9658
18 3 0.8253 0.75 0.4658
19 3 0.8253 0.25 0.5342
20 3 0.6747 0.75 0.0342
21 3 0.1747 0.25 0.5342
22 3 0.3253 0.75 0.0342
23 3 0.3253 0.25 0.9658
24 3 0.1747 0.75 0.4658
X-ray density (g/cm cub.) = 5.21
MU (1/cm) = 801.19 Mass attenuation coefficient (cm**2/g) = 153.881
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Gd ,Y ,Dy ,Sm 2.796 8
2.3295 3
2.3941 3
2.3941 3
2.3295 3
2.3941 3
2.3295 3
2.3295 3
2.3941 3
2 P 2.232 4
1.5512 3
1.5512 3
1.5512 3
1.5512 3
3 O 3.264 8
2.8144 3
2.4314 3
2.9819 3
2.9819 3
2.5824 3
2.5824 3
2.9819 3
2.9819 3
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 1 11.296 22.591 0.109 49.24 8 94.9 4132.1
2 2 0 0 14.896 29.792 0.144 27.45 4 264.9 8970.9
3 2 1 1 18.856 37.712 0.181 16.45 16 74.5 1699.6
4 1 1 2 20.305 40.61 0.194 13.96 8 208.2 5633.8
5 2 2 0 21.318 42.637 0.203 12.52 4 170.4 1692.9
6 2 0 2 23.063 46.126 0.219 10.48 8 61.1 365.0
7 3 0 1 24.391 48.782 0.231 9.23 8 144.5 1795.9
8 1 0 3 27.494 54.988 0.258 7.03 8 129.3 1094.4
9 3 2 1 29.107 58.213 0.272 6.18 16 121.6 1701.4
10 3 1 2 30.171 60.342 0.281 5.7 16 206.3 4520.8
11 4 0 0 30.94 61.88 0.287 5.39 4 220.1 1215.9
12 2 1 3 31.898 63.795 0.295 5.04 16 89.0 744.1
13 4 1 1 33.38 66.76 0.308 4.57 16 70.7 426.3
14 4 2 0 35.087 70.175 0.321 4.12 8 160.1 984.0
15 3 0 3 35.988 71.976 0.328 3.92 8 79.0 227.8
16 0 0 4 36.242 72.485 0.33 3.87 2 146.5 193.3
17 4 0 2 36.374 72.749 0.332 3.84 8 35.4 44.8
18 3 3 2 38.337 76.675 0.347 3.49 8 204.4 1357.6
19 3 2 3 39.896 79.791 0.359 3.27 16 50.1 152.8
20 2 0 4 40.141 80.283 0.36 3.24 8 170.5 876.8
21 4 2 2 40.269 80.538 0.361 3.22 16 6.6 2.6
22 4 3 1 41.258 82.516 0.369 3.11 16 103.7 623.3
23 5 0 1 41.258 82.516 0.369 3.11 8 67.6 132.4
24 4 1 3 43.708 87.417 0.386 2.9 16 82.5 367.9
25 2 2 4 43.951 87.901 0.388 2.89 8 190.5 976.0
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 1 11.296 22.591 4.56653 4132.1 46.1 46.3 5.6
2 2 0 0 14.896 29.792 3.47945 8970.9 100.0 100.0 5.6
3 2 1 1 18.856 37.712 2.76761 1699.6 18.9 18.8 5.7
4 1 1 2 20.305 40.61 2.57755 5633.8 62.8 62.2 5.7
5 2 2 0 21.318 42.637 2.46034 1692.9 18.9 18.6 5.7
6 2 0 2 23.063 46.126 2.28327 365.0 4.1 4.0 5.7
7 3 0 1 24.391 48.782 2.16598 1795.9 20.0 19.6 5.7
8 1 0 3 27.494 54.988 1.9375 1094.4 12.2 11.9 5.8
9 3 2 1 29.107 58.213 1.8388 1701.4 19.0 18.4 5.8
10 3 1 2 30.171 60.342 1.77972 4520.8 50.4 48.7 5.8
11 4 0 0 30.94 61.88 1.73973 1215.9 13.6 13.1 5.8
12 2 1 3 31.898 63.795 1.69276 744.1 8.3 8.0 5.9
13 4 1 1 33.38 66.76 1.62574 426.3 4.8 4.5 5.9
14 4 2 0 35.087 70.175 1.55606 984.0 11.0 10.4 5.9
15 3 0 3 35.988 71.976 1.52218 227.8 2.5 2.4 5.9
16 0 0 4 36.242 72.485 1.51295 193.3 2.2 2.0 5.9
17 3 3 2 38.337 76.675 1.442 1357.6 15.1 14.2 6.0
18 3 2 3 39.896 79.791 1.39457 152.8 1.7 1.6 6.0
19 2 0 4 40.141 80.283 1.38746 876.8 9.8 9.1 6.0
20 4 3 1 41.258 82.516 1.35637 755.7 8.4 7.8 6.1
21 4 1 3 43.708 87.417 1.29446 367.9 4.1 3.8 6.2
22 2 2 4 43.951 87.901 1.28878 976.0 10.9 9.9 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)
|