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 ***
***********************
ANNINGITE-(CE)
1, t-zircon, f-monacite, g-xenotime
[Ca(0.5)Ce(0.5)][VO(4),PO(4)]
Tetragonal * I4(1)/amd Z = 4
R =0.0207 NR =2164
28 .1 .26
Ref.Str.:
Srodek D., Juroszek R., Cametti G., Benyoucef M., Bouchemla I.,
Krzykawsk, T., Salamon S. (2025)
* Mineral. Mag., DOI:10.1180/mgm.2025.10110
L: $Ca0.52 Ce4+0.47 Y3+0.01 V0.63 P0.32 s0.05 O4$
R: Locality - Gara Samani Formation, Algeria.
IMA2024-060. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.15 alpha = 90.0
b = 7.15 beta = 90.0
c = 6.3343 gamma = 90.0
Unit cell volume (cub. angs.) = 323.83
Molar volume ( cub.cm/mol.) = 48.76
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 Ca = 0.58, Ce = 0.42
2 0.0 0.75 0.625 0.0 V = 0.62, P = 0.38
3 0.3188 0.75 0.0435 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 0.75 0.625
3 3 0.3188 0.75 0.0435
4 1 0.0 0.25 0.875
5 2 0.0 0.25 0.375
6 3 0.6812 0.25 0.9565
7 3 0.6812 0.75 0.0435
8 3 0.3188 0.25 0.9565
9 1 0.5 0.75 0.375
10 2 0.5 0.75 0.875
11 3 0.8188 0.75 0.4565
12 1 0.5 0.25 0.625
13 2 0.5 0.25 0.125
14 3 0.1812 0.25 0.5435
15 3 0.1812 0.75 0.4565
16 3 0.8188 0.25 0.5435
17 3 0.0 0.5688 0.7935
18 3 0.5 0.4312 0.2935
19 3 0.5 0.9312 0.7065
20 3 0.0 0.0688 0.2065
21 3 0.0 0.9312 0.7935
22 3 0.5 0.0688 0.2935
23 3 0.5 0.5688 0.7065
24 3 0.0 0.4312 0.2065
X-ray density (g/cm cub.) = 3.88
MU (1/cm) = 975.298 Mass attenuation coefficient (cm**2/g) = 251.07
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Ce 2.88 8
2.3371 3
2.3371 3
2.4673 3
2.4673 3
2.4673 3
2.3371 3
2.4673 3
2.3371 3
2 V ,P 2.496 4
1.6786 3
1.6786 3
1.6786 3
1.6786 3
3 O 3.264 8
2.5912 3
2.7949 3
3.063 3
3.063 3
2.8132 3
3.063 3
3.063 3
2.8132 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 10.874 21.748 0.105 53.3 8 38.9 615.6
2 2 0 0 14.489 28.979 0.14 29.13 4 199.5 4420.4
3 2 1 1 18.261 36.523 0.175 17.65 16 13.7 50.5
4 1 1 2 19.467 38.933 0.186 15.33 8 148.3 2571.7
5 2 2 0 20.722 41.444 0.198 13.34 4 107.0 582.9
6 2 0 2 22.167 44.334 0.211 11.47 8 61.3 328.6
7 3 0 1 23.64 47.279 0.224 9.91 8 88.3 589.5
8 1 0 3 26.213 52.426 0.247 7.84 8 76.3 348.2
9 3 2 1 28.206 56.412 0.264 6.63 16 63.3 406.1
10 3 1 2 29.082 58.164 0.272 6.19 16 158.0 2359.5
11 4 0 0 30.026 60.053 0.28 5.76 4 175.5 676.8
12 2 1 3 30.507 61.015 0.284 5.56 16 28.1 66.8
13 4 1 1 32.329 64.658 0.299 4.9 16 19.1 27.2
14 4 2 0 34.019 68.037 0.313 4.39 8 113.3 430.4
15 0 0 4 34.391 68.782 0.316 4.3 2 109.4 98.1
16 3 0 3 34.469 68.938 0.316 4.28 8 35.1 40.2
17 4 0 2 35.071 70.142 0.321 4.13 8 30.2 28.8
18 3 3 2 36.957 73.914 0.336 3.73 8 162.9 754.3
19 2 0 4 38.153 76.307 0.345 3.52 8 127.2 434.4
20 3 2 3 38.228 76.456 0.346 3.51 16 0.6 0.0
21 4 2 2 38.807 77.615 0.35 3.42 16 11.7 7.1
22 4 3 1 39.884 79.768 0.358 3.27 16 54.9 150.5
23 5 0 1 39.884 79.768 0.358 3.27 8 16.5 6.8
24 2 2 4 41.798 83.597 0.373 3.06 8 141.9 469.9
25 4 1 3 41.872 83.743 0.373 3.05 16 34.7 56.1
26 5 2 1 43.497 86.995 0.385 2.92 16 5.4 1.3
27 3 1 4 43.598 87.196 0.385 2.91 16 30.8 42.1
28 5 1 2 44.235 88.471 0.39 2.87 16 107.1 502.0
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 10.874 21.748 4.74131 615.6 13.9 14.0 5.6
2 2 0 0 14.489 28.979 3.575 4420.4 100.0 100.0 5.6
3 2 1 1 18.261 36.523 2.85449 50.5 1.1 1.1 5.7
4 1 1 2 19.467 38.933 2.684 2571.7 58.2 57.7 5.7
5 2 2 0 20.722 41.444 2.52791 582.9 13.2 13.0 5.7
6 2 0 2 22.167 44.334 2.37065 328.6 7.4 7.3 5.7
7 3 0 1 23.64 47.279 2.23066 589.5 13.3 13.1 5.7
8 1 0 3 26.213 52.426 2.02498 348.2 7.9 7.7 5.8
9 3 2 1 28.206 56.412 1.89248 406.1 9.2 8.9 5.8
10 3 1 2 29.082 58.164 1.84021 2359.5 53.4 51.7 5.8
11 4 0 0 30.026 60.053 1.7875 676.8 15.3 14.8 5.8
12 2 1 3 30.507 61.015 1.76196 66.8 1.5 1.5 5.8
13 4 2 0 34.019 68.037 1.59879 430.4 9.7 9.3 5.9
14 0 0 4 34.391 68.782 1.58358 98.1 2.2 2.1 5.9
15 3 3 2 36.957 73.914 1.48776 754.3 17.1 16.1 6.0
16 2 0 4 38.153 76.307 1.44789 434.4 9.8 9.2 6.0
17 4 3 1 39.884 79.768 1.3949 157.3 3.6 3.3 6.0
18 2 2 4 41.798 83.597 1.342 469.9 10.6 9.8 6.1
19 4 1 3 41.872 83.743 1.34009 56.1 1.3 1.2 6.1
20 5 1 2 44.235 88.471 1.28218 502.0 11.4 10.4 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)
|