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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ZAGAMIITE
1, DF
CaAl(2)Si(3.5)O(11)
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
6 .5 .24
Ref.Str.:
Barbaro A., Kasatkin A.V., Ardit M., Nestola F., Rotiroti N.,
Skoda R., Agakhanov A.A., Dalconi M.C., Castellaro F. (2024)
* Minerals, 14(1), doi.org/10.3390/min14010018
L: $Ca0.71 Na0.3 Al2.0 Fe0.09 Mg0.02 Si3.5 O11$
R: Locality - Martian meteorite, NWA 856, Morocco.
IMA2015-022a. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.399 alpha = 90.0
b = 5.399 beta = 90.0
c = 12.81 gamma = 120.0
Unit cell volume (cub. angs.) = 323.38
Molar volume ( cub.cm/mol.) = 97.39
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.25 0.0 Ca = 0.8 , Na = 0.2
2 0.5 0.0 0.0 0.0 Si = 0.78, Si = 0.0
3 0.0 0.0 0.143 0.0 Al = 0.97, Fe = 0.03
4 0.6667 0.3333 0.22 0.0 Si = 0.3 , Si = 0.0
5 0.3333 0.6667 0.75 0.0 Na = 0.1 , Na = 0.0
6 0.6667 0.3333 0.078 0.0 O = 1.00
7 0.323 0.1617 0.25 0.0 O = 1.00
8 0.183 0.366 0.0814 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.25
2 2 0.5 0.0 0.0
3 3 0.0 0.0 0.143
4 4 0.6667 0.3333 0.22
5 5 0.3333 0.6667 0.75
6 6 0.6667 0.3333 0.078
7 7 0.323 0.1617 0.25
8 8 0.183 0.366 0.0814
9 2 0.0 0.5 0.0
10 2 0.5 0.5 0.0
11 7 0.8383 0.1613 0.25
12 7 0.8387 0.677 0.25
13 8 0.634 0.817 0.0814
14 8 0.183 0.817 0.0814
15 1 0.6667 0.3333 0.75
16 2 0.5 0.0 0.5
17 3 0.0 0.0 0.643
18 4 0.3333 0.6667 0.72
19 5 0.6667 0.3333 0.25
20 6 0.3333 0.6667 0.578
21 7 0.677 0.8383 0.75
22 8 0.817 0.634 0.5814
23 2 0.0 0.5 0.5
24 2 0.5 0.5 0.5
25 7 0.1617 0.8387 0.75
26 7 0.1613 0.323 0.75
27 8 0.366 0.183 0.5814
28 8 0.817 0.183 0.5814
29 3 0.0 0.0 0.357
30 4 0.6667 0.3333 0.28
31 6 0.6667 0.3333 0.422
32 8 0.183 0.366 0.4186
33 8 0.634 0.817 0.4186
34 8 0.183 0.817 0.4186
35 3 0.0 0.0 0.857
36 4 0.3333 0.6667 0.78
37 6 0.3333 0.6667 0.922
38 8 0.817 0.634 0.9186
39 8 0.366 0.183 0.9186
40 8 0.817 0.183 0.9186
X-ray density (g/cm cub.) = 3.63
MU (1/cm) = 164.326 Mass attenuation coefficient (cm**2/g) = 45.314
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na 2.88 12
2.7007 7
2.6991 7
2.5771 8
2.6988 7
2.701 7
2.7013 7
2.6985 7
2.5771 8
2.5768 8
2.5771 8
2.5771 8
2.5768 8
2 Si ,Si 2.1 6
1.8512 6
1.8171 8
1.817 8
1.8512 6
1.8171 8
1.817 8
3 Al ,Fe 2.592 6
2.0395 7
1.8845 8
2.0395 7
2.0395 7
1.8845 8
1.8845 8
4 Si ,Si 2.1 4
1.819 6
1.6523 7
1.6519 7
1.6523 7
5 Na ,Na 2.808 5
2.2033 6
1.607 7
1.6066 7
1.607 7
2.2033 6
6 O 3.264 12
2.7271 7
2.7039 8
2.7044 8
2.7269 7
2.7271 7
2.7044 8
2.704 8
2.7042 8
2.7041 8
2.4791 8
2.4791 8
2.4789 8
7 O 3.264 10
2.7271 6
2.6993 8
2.7832 7
2.6158 7
2.7832 7
2.6158 7
2.7005 8
2.7271 6
2.6993 8
2.7005 8
8 O 3.264 11
2.7044 6
2.7039 6
2.6993 7
2.7005 7
2.4349 8
2.9641 8
2.4349 8
2.9641 8
2.4791 6
2.6977 8
2.6978 8
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 0 0 2 6.907 13.814 0.078 135.32 2 18.3 86.8
2 1 0 0 9.482 18.965 0.107 70.77 6 1.9 1.5
3 1 0 1 10.1 20.201 0.114 62.11 12 5.4 20.5
4 1 0 2 11.769 23.538 0.132 45.19 12 19.0 187.4
5 0 0 4 13.918 27.835 0.156 31.73 2 47.3 135.5
6 1 0 3 14.14 28.281 0.159 30.68 12 1.7 1.0
7 1 1 0 16.579 33.159 0.185 21.8 6 55.8 389.6
8 1 0 4 16.95 33.9 0.189 20.77 12 60.2 864.9
9 1 1 2 18.038 36.076 0.201 18.13 12 50.6 532.8
10 2 0 0 19.237 38.475 0.214 15.74 6 4.8 2.1
11 2 0 1 19.568 39.136 0.217 15.15 12 4.2 3.0
12 1 0 5 20.05 40.099 0.223 14.36 12 7.5 9.3
13 2 0 2 20.533 41.066 0.228 13.61 12 48.9 373.5
14 0 0 6 21.149 42.297 0.234 12.74 2 76.6 143.0
15 1 1 4 21.913 43.825 0.242 11.77 12 21.6 63.3
16 2 0 3 22.064 44.127 0.244 11.59 12 103.9 1436.1
17 1 0 6 23.367 46.734 0.257 10.18 12 23.9 66.6
18 2 0 4 24.075 48.151 0.265 9.51 12 4.4 2.1
19 2 1 0 25.84 51.681 0.283 8.1 12 17.0 26.8
20 2 1 1 26.104 52.207 0.286 7.91 24 2.4 1.0
21 2 0 5 26.49 52.98 0.29 7.65 12 2.3 0.5
22 1 0 7 26.873 53.745 0.293 7.41 12 12.8 13.9
23 2 1 2 26.882 53.764 0.293 7.4 24 1.0 0.2
24 1 1 6 27.386 54.772 0.299 7.09 12 13.4 14.6
25 2 1 3 28.146 56.292 0.306 6.67 24 9.4 13.4
26 0 0 8 28.754 57.508 0.312 6.35 2 67.7 55.7
27 2 0 6 29.248 58.497 0.317 6.11 12 114.8 923.6
28 3 0 0 29.619 59.237 0.321 5.94 6 42.7 62.2
29 2 1 4 29.856 59.713 0.323 5.84 24 59.8 478.7
30 3 0 1 29.859 59.718 0.323 5.83 12 11.9 9.5
31 1 0 8 30.562 61.125 0.33 5.54 12 4.2 1.1
32 3 0 2 30.574 61.148 0.33 5.53 12 43.8 121.6
33 3 0 3 31.744 63.487 0.342 5.09 12 14.4 12.1
34 2 1 5 31.972 63.944 0.344 5.02 24 0.1 0.0
35 2 0 7 32.313 64.625 0.347 4.9 12 14.2 11.4
36 3 0 4 33.343 66.686 0.357 4.58 12 17.2 15.6
37 1 1 8 34.008 68.016 0.363 4.4 12 18.7 17.6
38 1 0 9 34.451 68.902 0.367 4.28 12 8.1 3.2
39 2 1 6 34.459 68.918 0.367 4.28 24 8.3 6.8
40 2 2 0 34.798 69.596 0.37 4.19 6 164.2 649.0
41 3 0 5 35.345 70.689 0.376 4.06 12 11.1 5.8
42 2 0 8 35.667 71.333 0.378 3.99 12 49.7 113.0
43 2 2 2 35.677 71.354 0.379 3.99 12 6.3 1.8
44 3 1 0 36.44 72.881 0.386 3.83 12 0.2 0.0
45 3 1 1 36.657 73.314 0.388 3.79 24 2.0 0.4
46 0 0 10 36.964 73.928 0.39 3.73 2 9.6 0.7
47 2 1 7 37.296 74.592 0.393 3.67 24 6.1 3.2
48 3 1 2 37.304 74.607 0.393 3.66 24 11.3 10.7
49 3 0 6 37.727 75.455 0.397 3.59 12 9.5 3.7
50 2 2 4 38.265 76.53 0.402 3.5 12 33.8 46.0
51 3 1 3 38.373 76.745 0.403 3.48 24 5.0 2.0
52 1 0 10 38.57 77.14 0.405 3.45 12 33.1 43.5
53 2 0 9 39.315 78.631 0.411 3.34 12 70.0 188.2
54 3 1 4 39.854 79.708 0.416 3.27 24 43.5 142.3
55 2 1 8 40.477 80.954 0.421 3.2 24 6.0 2.6
56 3 0 7 40.48 80.959 0.421 3.2 12 8.0 2.4
57 4 0 0 41.221 82.442 0.428 3.11 6 19.8 7.0
58 4 0 1 41.43 82.86 0.43 3.09 12 4.4 0.7
59 1 1 10 41.727 83.454 0.432 3.06 12 47.8 80.4
60 3 1 5 41.739 83.479 0.432 3.06 24 3.8 1.0
61 4 0 2 42.056 84.111 0.435 3.03 12 38.6 51.8
62 2 2 6 42.467 84.934 0.438 3.0 12 27.9 26.8
63 1 0 11 42.973 85.945 0.442 2.96 12 12.9 5.6
64 4 0 3 43.095 86.191 0.443 2.95 12 55.1 102.6
65 2 0 10 43.288 86.576 0.445 2.93 12 17.5 10.3
66 3 0 8 43.605 87.211 0.448 2.91 12 17.6 10.4
67 2 1 9 44.018 88.035 0.451 2.88 24 13.6 12.2
68 3 1 6 44.025 88.05 0.451 2.88 24 18.5 22.6
69 4 0 4 44.547 89.094 0.455 2.85 12 2.9 0.3
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 6.907 13.814 6.405 86.8 6.0 6.2 5.6
2 1 0 1 10.1 20.201 4.39224 20.5 1.4 1.5 5.6
3 1 0 2 11.769 23.538 3.77647 187.4 13.1 13.3 5.6
4 0 0 4 13.918 27.835 3.2025 135.5 9.4 9.6 5.6
5 1 1 0 16.579 33.159 2.6995 389.6 27.1 27.4 5.6
6 1 0 4 16.95 33.9 2.64216 864.9 60.2 60.8 5.7
7 1 1 2 18.038 36.076 2.48759 532.8 37.1 37.4 5.7
8 2 0 2 20.533 41.066 2.19612 373.5 26.0 26.1 5.7
9 0 0 6 21.149 42.297 2.135 143.0 10.0 10.0 5.7
10 1 1 4 21.913 43.825 2.06403 63.3 4.4 4.4 5.7
11 2 0 3 22.064 44.127 2.05061 1436.1 100.0 100.0 5.7
12 1 0 6 23.367 46.734 1.94211 66.6 4.6 4.6 5.7
13 2 1 0 25.84 51.681 1.76724 26.8 1.9 1.8 5.8
14 1 1 6 27.386 54.772 1.67457 14.6 1.0 1.0 5.8
15 0 0 8 28.754 57.508 1.60125 55.7 3.9 3.8 5.8
16 2 0 6 29.248 58.497 1.57651 923.6 64.3 63.2 5.8
17 3 0 0 29.619 59.237 1.55856 62.2 4.3 4.2 5.8
18 2 1 4 29.856 59.713 1.54728 488.2 34.0 33.3 5.8
19 3 0 2 30.574 61.148 1.51437 122.7 8.5 8.4 5.8
20 3 0 4 33.343 66.686 1.40141 15.6 1.1 1.1 5.9
21 1 1 8 34.008 68.016 1.3772 17.6 1.2 1.2 5.9
22 2 2 0 34.798 69.596 1.34975 649.0 45.2 43.6 5.9
23 2 0 8 35.667 71.333 1.32108 114.8 8.0 7.7 5.9
24 2 2 4 38.265 76.53 1.24379 46.0 3.2 3.0 6.0
25 1 0 10 38.57 77.14 1.23547 43.5 3.0 2.9 6.0
26 2 0 9 39.315 78.631 1.21574 188.2 13.1 12.4 6.0
27 3 1 4 39.854 79.708 1.20199 142.3 9.9 9.4 6.0
28 1 1 10 41.727 83.454 1.15731 81.4 5.7 5.3 6.1
29 4 0 2 42.056 84.111 1.14992 51.8 3.6 3.4 6.1
30 2 2 6 42.467 84.934 1.14088 26.8 1.9 1.7 6.1
31 4 0 3 43.095 86.191 1.12744 102.6 7.1 6.7 6.1
32 3 1 6 44.025 88.05 1.10836 34.8 2.4 2.2 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)
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