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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MARICITE
1, f-natrophilite
NaFePO(4)
Orthorhombic P mnb Z = 4
R =0.03 NR =520
12 .1 .1990
Ref.Str.:
Page Y., Donnay G. (1977)
* Canad. Mineral., v.15, 518-521
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.861 alpha = 90.0
b = 8.987 beta = 90.0
c = 5.045 gamma = 90.0
Unit cell volume (cub. angs.) = 311.07
Molar volume ( cub.cm/mol.) = 46.84
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.25 0.8508 0.5305 0.0 Na = 1.00
2 0.0 0.0 0.0 0.0 Fe = 1.00
3 0.25 0.176 0.464 0.0 P = 1.00
4 0.25 0.1164 0.7521 0.0 O = 1.00
5 0.25 0.3492 0.4557 0.0 O = 1.00
6 0.0692 0.1213 0.3174 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.25 0.8508 0.5305
2 2 0.0 0.0 0.0
3 3 0.25 0.176 0.464
4 4 0.25 0.1164 0.7521
5 5 0.25 0.3492 0.4557
6 6 0.0692 0.1213 0.3174
7 1 0.75 0.1492 0.4695
8 3 0.75 0.824 0.536
9 4 0.75 0.8836 0.2479
10 5 0.75 0.6508 0.5443
11 6 0.9308 0.8787 0.6826
12 2 0.5 0.0 0.0
13 6 0.4308 0.1213 0.3174
14 6 0.5692 0.8787 0.6826
15 1 0.75 0.6492 0.0305
16 2 0.5 0.5 0.5
17 3 0.75 0.324 0.964
18 4 0.75 0.3836 0.2521
19 5 0.75 0.1508 0.9557
20 6 0.5692 0.3787 0.8174
21 1 0.25 0.3508 0.9695
22 3 0.25 0.676 0.036
23 4 0.25 0.6164 0.7479
24 5 0.25 0.8492 0.0443
25 6 0.4308 0.6213 0.1826
26 2 0.0 0.5 0.5
27 6 0.9308 0.3787 0.8174
28 6 0.0692 0.6213 0.1826
X-ray density (g/cm cub.) = 3.71
MU (1/cm) = 185.447 Mass attenuation coefficient (cm**2/g) = 49.986
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 6
2.6358 4
2.3341 6
2.3341 6
2.375 4
2.5922 5
2.4529 5
2 Fe 2.592 6
2.3665 4
1.9945 6
2.3665 4
1.9945 6
2.1974 5
2.1974 5
3 P 2.232 4
1.549 4
1.5571 5
1.5256 6
1.5256 6
4 O 3.264 10
2.5716 5
3.1103 6
2.52 6
3.0794 6
3.1103 6
2.52 6
3.0794 6
3.2344 6
2.8177 5
3.2344 6
5 O 3.264 8
2.5716 4
2.4941 6
2.4941 6
2.8629 6
2.8177 4
3.0687 6
2.8629 6
3.0687 6
6 O 3.264 9
2.52 4
3.1103 4
2.4941 5
3.0794 4
3.0083 6
2.4809 6
3.2344 4
2.8629 5
3.0687 5
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 0 2 0 11.482 22.964 0.111 47.59 2 47.6 223.3
2 0 1 1 11.731 23.463 0.114 45.5 4 47.6 426.5
3 1 0 1 12.713 25.426 0.123 38.43 4 5.2 4.3
4 1 2 0 13.765 27.531 0.133 32.48 4 27.5 101.8
5 1 1 1 13.977 27.954 0.135 31.45 8 40.0 416.3
6 2 0 0 15.114 30.228 0.146 26.61 2 14.0 10.8
7 0 2 1 15.46 30.92 0.149 25.35 4 29.7 92.2
8 1 2 1 17.262 34.524 0.166 19.96 8 8.0 10.4
9 2 2 0 19.15 38.299 0.183 15.9 4 124.8 1023.4
10 2 1 1 19.308 38.615 0.185 15.61 8 98.4 1248.9
11 0 3 1 20.32 40.639 0.194 13.94 4 143.6 1187.4
12 0 0 2 20.768 41.537 0.198 13.27 2 115.4 365.3
13 0 1 2 21.611 43.221 0.206 12.14 4 58.6 172.4
14 1 3 1 21.772 43.545 0.207 11.94 8 5.6 3.1
15 2 2 1 21.894 43.787 0.208 11.79 8 40.0 155.9
16 1 1 2 22.997 45.995 0.218 10.55 8 4.2 1.5
17 0 4 0 23.46 46.921 0.223 10.09 2 39.5 32.4
18 0 2 2 23.994 47.988 0.227 9.58 4 37.6 55.9
19 1 4 0 24.766 49.532 0.234 8.92 4 0.8 0.0
20 1 2 2 25.279 50.559 0.239 8.51 8 47.0 155.8
21 3 0 1 25.431 50.861 0.24 8.4 4 46.7 75.7
22 2 3 1 25.737 51.475 0.243 8.17 8 34.5 80.2
23 0 4 1 25.837 51.673 0.244 8.1 4 9.1 2.8
24 3 2 0 26.03 52.061 0.245 7.96 4 35.9 42.4
25 2 0 2 26.113 52.225 0.246 7.91 4 2.1 0.1
26 3 1 1 26.155 52.31 0.246 7.88 8 12.8 10.7
27 2 1 2 26.824 53.648 0.252 7.44 8 19.5 23.3
28 1 4 1 27.058 54.116 0.254 7.29 8 2.2 0.3
29 0 3 2 27.617 55.234 0.259 6.96 4 25.2 18.3
30 3 2 1 28.249 56.499 0.265 6.61 8 8.3 3.7
31 2 4 0 28.418 56.836 0.266 6.52 4 114.9 355.8
32 1 3 2 28.786 57.573 0.269 6.34 8 3.8 0.8
33 2 2 2 28.885 57.77 0.27 6.29 8 104.5 567.1
34 2 4 1 30.521 61.041 0.284 5.56 8 13.4 8.2
35 4 0 0 31.431 62.862 0.292 5.21 2 158.9 271.8
36 3 3 1 31.535 63.07 0.292 5.17 8 20.3 17.6
37 0 5 1 31.889 63.779 0.295 5.04 4 54.6 62.1
38 2 3 2 32.131 64.262 0.297 4.96 8 8.4 2.9
39 0 4 2 32.217 64.435 0.298 4.93 4 64.0 83.5
40 3 1 2 32.495 64.989 0.3 4.84 8 21.2 17.9
41 0 1 3 32.76 65.52 0.302 4.76 4 69.4 94.8
42 1 5 1 32.965 65.93 0.304 4.7 8 14.9 8.6
43 1 0 3 33.205 66.41 0.306 4.62 4 30.5 17.8
44 1 4 2 33.287 66.575 0.307 4.6 8 11.0 4.6
45 1 1 3 33.821 67.643 0.311 4.45 8 5.6 1.2
46 3 4 0 33.923 67.847 0.312 4.42 4 7.0 0.9
47 4 2 0 33.93 67.859 0.312 4.42 4 33.7 20.7
48 4 1 1 34.036 68.072 0.313 4.39 8 45.6 75.5
49 3 2 2 34.347 68.694 0.315 4.31 8 7.4 2.0
50 0 2 3 34.605 69.21 0.317 4.24 4 26.0 11.8
51 1 2 3 35.64 71.28 0.326 4.0 8 10.3 3.5
52 3 4 1 35.843 71.686 0.327 3.95 8 39.5 51.1
53 4 2 1 35.849 71.699 0.327 3.95 8 12.7 5.3
54 2 5 1 36.095 72.189 0.329 3.9 8 92.2 273.9
55 2 4 2 36.404 72.808 0.332 3.84 8 99.2 312.0
56 0 6 0 36.667 73.335 0.334 3.78 2 117.2 107.4
57 2 1 3 36.917 73.835 0.336 3.74 8 94.4 275.0
58 3 3 2 37.337 74.675 0.339 3.66 8 15.7 7.4
59 0 3 3 37.587 75.174 0.341 3.61 4 80.0 95.5
60 0 5 2 37.665 75.331 0.342 3.6 4 40.2 24.0
61 1 6 0 37.679 75.358 0.342 3.6 4 9.1 1.2
62 0 6 1 38.531 77.061 0.348 3.46 4 10.3 1.5
63 1 3 3 38.59 77.18 0.349 3.45 8 16.4 7.6
64 1 5 2 38.668 77.335 0.349 3.44 8 3.0 0.3
65 2 2 3 38.676 77.351 0.349 3.44 8 38.4 41.8
66 4 3 1 38.794 77.587 0.35 3.42 8 100.4 284.8
67 4 0 2 39.095 78.191 0.353 3.38 4 113.1 178.5
68 1 6 1 39.526 79.052 0.356 3.32 8 9.1 2.3
69 4 1 2 39.674 79.348 0.357 3.3 8 23.5 15.0
70 2 6 0 40.663 81.326 0.364 3.18 4 1.6 0.0
71 4 4 0 41.001 82.002 0.367 3.14 4 11.5 1.7
72 3 5 1 41.094 82.189 0.367 3.13 8 3.9 0.4
73 3 0 3 41.315 82.631 0.369 3.1 4 37.3 17.9
74 3 4 2 41.392 82.784 0.37 3.1 8 9.1 2.1
75 4 2 2 41.398 82.796 0.37 3.1 8 30.4 23.7
76 2 3 3 41.556 83.113 0.371 3.08 8 13.4 4.6
77 2 5 2 41.633 83.266 0.371 3.07 8 17.3 7.6
78 0 4 3 41.635 83.269 0.371 3.07 4 18.1 4.2
79 3 1 3 41.887 83.774 0.373 3.05 8 29.9 22.5
80 2 6 1 42.477 84.955 0.377 3.0 8 28.8 20.6
81 5 0 1 42.495 84.99 0.378 2.99 4 12.5 1.9
82 1 4 3 42.613 85.227 0.378 2.98 8 12.1 3.6
83 4 4 1 42.813 85.626 0.38 2.97 8 10.1 2.5
84 5 2 0 42.966 85.931 0.381 2.96 4 24.4 7.3
85 5 1 1 43.064 86.128 0.382 2.95 8 24.5 14.7
86 3 2 3 43.595 87.191 0.385 2.91 8 9.1 2.0
87 0 6 2 43.988 87.977 0.388 2.89 4 113.9 154.9
88 4 3 2 44.245 88.49 0.39 2.87 8 0.2 0.0
89 5 2 1 44.768 89.537 0.394 2.84 8 4.4 0.4
90 1 6 2 44.962 89.925 0.395 2.83 8 46.1 49.7
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 0 2 0 11.482 22.964 4.4935 223.3 17.9 18.1 5.6
2 0 1 1 11.731 23.463 4.39923 426.5 34.2 34.6 5.6
3 1 2 0 13.765 27.531 3.75905 101.8 8.2 8.2 5.6
4 1 1 1 13.977 27.954 3.70334 416.3 33.3 33.6 5.6
5 0 2 1 15.46 30.92 3.35549 92.2 7.4 7.4 5.6
6 2 2 0 19.15 38.299 2.72671 1023.4 81.9 82.0 5.7
7 2 1 1 19.308 38.615 2.70522 1248.9 100.0 100.0 5.7
8 0 3 1 20.32 40.639 2.57579 1187.4 95.1 94.9 5.7
9 0 0 2 20.768 41.537 2.5225 365.3 29.2 29.2 5.7
10 0 1 2 21.611 43.221 2.42865 172.4 13.8 13.7 5.7
11 2 2 1 21.894 43.787 2.39877 155.9 12.5 12.4 5.7
12 0 4 0 23.46 46.921 2.24675 32.4 2.6 2.6 5.7
13 0 2 2 23.994 47.988 2.19961 55.9 4.5 4.4 5.7
14 1 2 2 25.279 50.559 2.0946 155.8 12.5 12.3 5.8
15 3 0 1 25.431 50.861 2.08297 75.7 6.1 6.0 5.8
16 2 3 1 25.737 51.475 2.05979 80.2 6.4 6.3 5.8
17 3 2 0 26.03 52.061 2.0382 42.4 3.4 3.3 5.8
18 2 1 2 26.824 53.648 1.98219 23.3 1.9 1.8 5.8
19 0 3 2 27.617 55.234 1.92954 18.3 1.5 1.4 5.8
20 2 4 0 28.418 56.836 1.87952 355.8 28.5 27.9 5.8
21 2 2 2 28.885 57.77 1.85167 567.1 45.4 44.4 5.8
22 4 0 0 31.431 62.862 1.71525 271.8 21.8 21.1 5.9
23 3 3 1 31.535 63.07 1.71018 17.6 1.4 1.4 5.9
24 0 5 1 31.889 63.779 1.69315 62.1 5.0 4.8 5.9
25 0 4 2 32.217 64.435 1.67775 83.5 6.7 6.5 5.9
26 3 1 2 32.495 64.989 1.66498 17.9 1.4 1.4 5.9
27 0 1 3 32.76 65.52 1.65298 94.8 7.6 7.3 5.9
28 1 0 3 33.205 66.41 1.63332 17.8 1.4 1.4 5.9
29 4 2 0 33.93 67.859 1.60247 20.7 1.7 1.6 5.9
30 4 1 1 34.036 68.072 1.59808 75.5 6.0 5.8 5.9
31 3 4 1 35.843 71.686 1.5275 56.4 4.5 4.3 5.9
32 2 5 1 36.095 72.189 1.51829 273.9 21.9 20.9 5.9
33 2 4 2 36.404 72.808 1.50715 312.0 25.0 23.8 6.0
34 0 6 0 36.667 73.335 1.49783 107.4 8.6 8.2 6.0
35 2 1 3 36.917 73.835 1.48912 275.0 22.0 21.0 6.0
36 0 3 3 37.587 75.174 1.46641 95.5 7.6 7.3 6.0
37 0 5 2 37.665 75.331 1.46381 25.2 2.0 1.9 6.0
38 2 2 3 38.676 77.351 1.43134 41.8 3.3 3.2 6.0
39 4 3 1 38.794 77.587 1.42767 284.8 22.8 21.5 6.0
40 4 0 2 39.095 78.191 1.4184 178.5 14.3 13.5 6.0
41 4 1 2 39.674 79.348 1.40106 15.0 1.2 1.1 6.0
42 3 0 3 41.315 82.631 1.35482 17.9 1.4 1.3 6.1
43 4 2 2 41.398 82.796 1.35261 25.8 2.1 1.9 6.1
44 3 1 3 41.887 83.774 1.33968 22.5 1.8 1.7 6.1
45 2 6 1 42.477 84.955 1.32454 22.5 1.8 1.7 6.1
46 5 1 1 43.064 86.128 1.30995 14.7 1.2 1.1 6.1
47 0 6 2 43.988 87.977 1.2879 154.9 12.4 11.4 6.2
48 1 6 2 44.962 89.925 1.26579 49.7 4.0 3.6 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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