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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TRIPHYLITE
8, t-heterosite, s-triphylite
Li(Fe,Mn)[PO(4)]
Orthorhombic P bnm Z = 4
Pbnm
29 .5 .17
Ref.Str.:
Losey A., Rakovan J.F., Hughes J.M., Francis C.A., Dyar M.D. (2004)
* Canad. Mineral., 42, 1105-1115
L: $Li1 Fe2+0.753 Mn2+0.201 Mg0.056 P1 O4$
R: Locality - Palermo #1 Quarry, Groton, New Hampshire, USA.
Sample Trip79. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.7006 alpha = 90.0
b = 10.341 beta = 90.0
c = 6.0166 gamma = 90.0
Unit cell volume (cub. angs.) = 292.46
Molar volume ( cub.cm/mol.) = 44.04
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Li = 1.00
2 0.9746 0.282 0.25 0.0 Fe = 0.75, Mn = 0.2 , Mg = 0.06
3 0.4164 0.0945 0.25 0.0 P = 1.00
4 0.7402 0.097 0.25 0.0 O = 1.00
5 0.2062 0.457 0.25 0.0 O = 1.00
6 0.2836 0.1649 0.0472 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.9746 0.282 0.25
3 3 0.4164 0.0945 0.25
4 4 0.7402 0.097 0.25
5 5 0.2062 0.457 0.25
6 6 0.2836 0.1649 0.0472
7 2 0.0254 0.718 0.75
8 3 0.5836 0.9055 0.75
9 4 0.2598 0.903 0.75
10 5 0.7938 0.543 0.75
11 6 0.7164 0.8351 0.9528
12 1 0.0 0.0 0.5
13 6 0.7164 0.8351 0.5472
14 6 0.2836 0.1649 0.4528
15 1 0.5 0.5 0.0
16 2 0.5254 0.782 0.25
17 3 0.0836 0.5945 0.25
18 4 0.7598 0.597 0.25
19 5 0.2938 0.957 0.25
20 6 0.2164 0.6649 0.0472
21 2 0.4746 0.218 0.75
22 3 0.9164 0.4055 0.75
23 4 0.2402 0.403 0.75
24 5 0.7062 0.043 0.75
25 6 0.7836 0.3351 0.9528
26 1 0.5 0.5 0.5
27 6 0.7836 0.3351 0.5472
28 6 0.2164 0.6649 0.4528
X-ray density (g/cm cub.) = 3.55
MU (1/cm) = 158.444 Mass attenuation coefficient (cm**2/g) = 44.63
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 6
2.1817 4
2.183 6
2.1817 4
2.183 6
2.0898 5
2.0898 5
2 Fe ,Mn ,Mg 2.724 6
2.2078 4
2.1118 5
2.2504 6
2.2504 6
2.0749 6
2.0749 6
3 P 2.232 4
1.5223 4
1.552 6
1.552 6
1.534 5
4 O 3.264 12
2.9166 6
2.5668 6
3.2473 6
3.2473 6
2.9166 6
2.5668 6
2.9779 5
2.5493 5
3.0639 5
3.0639 5
3.0498 6
3.0498 6
5 O 3.264 8
2.9779 4
2.5493 4
2.4725 6
3.0639 4
3.0639 4
2.9551 6
2.9551 6
2.4725 6
6 O 3.264 9
2.5668 4
2.9166 4
3.2473 4
2.4403 6
2.4725 5
3.0498 4
2.9551 5
2.9907 6
2.9907 6
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 9.962 19.924 0.097 63.91 2 49.2 361.3
2 1 1 0 12.065 24.13 0.117 42.9 4 60.2 727.6
3 0 2 1 13.185 26.37 0.128 35.59 4 36.9 226.3
4 1 0 1 13.974 27.947 0.135 31.46 4 24.8 90.8
5 1 1 1 14.862 29.725 0.143 27.58 8 58.0 868.7
6 1 2 0 14.902 29.804 0.144 27.43 4 34.7 154.6
7 1 2 1 17.28 34.561 0.166 19.92 8 25.5 121.4
8 0 0 2 17.297 34.595 0.166 19.88 2 128.0 761.9
9 1 3 0 18.771 37.541 0.18 16.61 4 65.9 337.3
10 0 2 2 20.12 40.241 0.192 14.24 4 17.7 20.8
11 0 4 0 20.242 40.484 0.193 14.05 2 0.1 0.0
12 1 3 1 20.761 41.521 0.198 13.28 8 95.4 1130.7
13 1 1 2 21.312 42.624 0.203 12.53 8 54.6 349.1
14 0 4 1 22.122 44.243 0.211 11.52 4 67.1 242.3
15 2 0 0 22.369 44.738 0.213 11.23 2 19.5 10.0
16 2 1 0 22.972 45.944 0.218 10.58 4 52.9 138.5
17 1 2 2 23.149 46.297 0.22 10.4 8 37.3 135.6
18 1 4 0 23.257 46.515 0.221 10.29 4 61.1 179.9
19 2 1 1 24.685 49.371 0.233 8.99 8 33.8 95.9
20 2 2 0 24.711 49.423 0.234 8.96 4 54.1 122.8
21 1 4 1 24.956 49.912 0.236 8.77 8 3.6 1.1
22 1 3 2 25.984 51.968 0.245 8.0 8 30.3 68.6
23 2 2 1 26.34 52.68 0.248 7.75 8 27.8 56.2
24 0 4 2 27.142 54.283 0.255 7.24 4 27.1 24.9
25 2 3 0 27.427 54.854 0.257 7.07 4 4.3 0.6
26 1 5 0 28.196 56.393 0.264 6.64 4 23.8 17.6
27 0 2 3 28.579 57.158 0.267 6.44 4 10.4 3.3
28 2 0 2 28.878 57.757 0.27 6.29 4 70.7 147.1
29 2 3 1 28.948 57.896 0.271 6.26 8 8.4 4.1
30 1 0 3 29.005 58.011 0.271 6.23 4 20.7 12.5
31 2 1 2 29.382 58.765 0.274 6.05 8 24.1 33.0
32 1 1 3 29.508 59.016 0.275 5.99 8 54.0 163.4
33 1 4 2 29.623 59.246 0.276 5.94 8 2.4 0.3
34 1 5 1 29.691 59.383 0.277 5.91 8 37.0 75.6
35 2 2 2 30.864 61.728 0.287 5.42 8 88.4 396.5
36 2 4 0 30.953 61.906 0.288 5.39 4 60.1 91.0
37 1 2 3 30.986 61.972 0.288 5.37 8 36.9 68.3
38 0 6 0 31.264 62.528 0.29 5.27 2 31.1 11.9
39 2 4 1 32.37 64.741 0.299 4.88 8 65.4 195.6
40 0 6 1 32.674 65.347 0.302 4.79 4 99.2 220.4
41 2 3 2 33.247 66.494 0.306 4.61 8 4.0 0.7
42 1 3 3 33.364 66.729 0.307 4.58 8 78.4 263.1
43 1 6 0 33.557 67.114 0.309 4.52 4 7.0 1.0
44 1 5 2 33.936 67.871 0.312 4.42 8 27.5 31.1
45 0 4 3 34.365 68.73 0.316 4.3 4 85.4 146.7
46 1 6 1 34.918 69.836 0.32 4.16 8 9.6 3.6
47 2 5 0 35.176 70.352 0.322 4.1 4 3.7 0.3
48 3 1 0 35.266 70.532 0.323 4.08 4 17.2 5.6
49 3 0 1 36.15 72.3 0.33 3.89 4 2.3 0.1
50 2 1 3 36.345 72.69 0.331 3.85 8 21.0 15.9
51 2 4 2 36.448 72.896 0.332 3.83 8 15.9 9.0
52 0 0 4 36.488 72.977 0.332 3.82 2 140.1 175.3
53 2 5 1 36.51 73.02 0.333 3.81 8 39.1 54.6
54 1 4 3 36.561 73.121 0.333 3.8 8 11.3 4.6
55 3 1 1 36.599 73.197 0.333 3.8 8 56.1 111.6
56 3 2 0 36.619 73.239 0.333 3.79 4 39.3 27.4
57 0 6 2 36.735 73.47 0.334 3.77 4 95.0 159.2
58 2 2 3 37.683 75.366 0.342 3.6 8 3.4 0.4
59 3 2 1 37.933 75.866 0.344 3.55 8 37.1 45.9
60 0 2 4 38.266 76.532 0.346 3.5 4 25.1 10.3
61 3 3 0 38.834 77.668 0.351 3.41 4 25.1 10.1
62 1 6 2 38.877 77.755 0.351 3.41 8 2.9 0.3
63 1 1 4 39.074 78.149 0.352 3.38 8 34.4 37.4
64 1 7 0 39.396 78.791 0.355 3.33 4 75.3 88.4
65 2 3 3 39.878 79.756 0.358 3.27 8 18.5 10.5
66 2 6 0 40.058 80.116 0.36 3.25 4 40.9 25.4
67 3 3 1 40.124 80.249 0.36 3.24 8 46.7 66.2
68 1 2 4 40.382 80.765 0.362 3.21 8 7.7 1.8
69 2 5 2 40.413 80.826 0.362 3.2 8 15.5 7.2
70 3 1 2 40.499 80.998 0.363 3.19 8 10.7 3.4
71 1 5 3 40.522 81.044 0.363 3.19 8 25.3 19.1
72 1 7 1 40.681 81.363 0.364 3.17 8 16.8 8.4
73 2 6 1 41.339 82.678 0.369 3.1 8 38.6 43.3
74 3 2 2 41.797 83.594 0.373 3.06 8 71.0 144.0
75 3 4 0 41.876 83.752 0.373 3.05 4 36.7 19.2
76 1 3 4 42.543 85.086 0.378 2.99 8 42.0 49.3
77 2 4 3 42.904 85.808 0.381 2.96 8 34.9 33.7
78 3 4 1 43.147 86.295 0.382 2.94 8 50.2 69.4
79 0 6 3 43.18 86.359 0.383 2.94 4 81.9 92.2
80 0 4 4 43.471 86.942 0.385 2.92 4 12.6 2.2
81 0 8 0 43.786 87.573 0.387 2.9 2 11.2 0.8
82 3 3 2 43.947 87.893 0.388 2.89 8 40.3 43.9
83 1 7 2 44.497 88.993 0.392 2.85 8 65.6 114.8
84 2 0 4 44.912 89.823 0.395 2.83 4 40.7 22.0
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 0 2 0 9.962 19.924 5.1705 361.3 32.0 32.5 5.6
2 1 1 0 12.065 24.13 4.27925 727.6 64.4 65.3 5.6
3 0 2 1 13.185 26.37 3.92141 226.3 20.0 20.3 5.6
4 1 0 1 13.974 27.947 3.70415 90.8 8.0 8.1 5.6
5 1 1 1 14.862 29.725 3.48718 868.7 76.8 77.7 5.6
6 1 2 0 14.902 29.804 3.47811 154.6 13.7 13.8 5.6
7 0 0 2 17.297 34.595 3.0083 883.3 78.1 78.6 5.7
8 1 3 0 18.771 37.541 2.77971 337.3 29.8 30.0 5.7
9 0 2 2 20.12 40.241 2.60022 20.8 1.8 1.8 5.7
10 1 3 1 20.761 41.521 2.52341 1130.7 100.0 100.0 5.7
11 1 1 2 21.312 42.624 2.46102 349.1 30.9 30.8 5.7
12 0 4 1 22.122 44.243 2.37526 242.3 21.4 21.4 5.7
13 2 1 0 22.972 45.944 2.29185 138.5 12.3 12.2 5.7
14 1 2 2 23.149 46.297 2.2753 135.6 12.0 11.9 5.7
15 1 4 0 23.257 46.515 2.26525 179.9 15.9 15.8 5.7
16 2 2 0 24.711 49.423 2.13962 218.7 19.3 19.2 5.7
17 1 3 2 25.984 51.968 2.04159 68.6 6.1 6.0 5.8
18 2 2 1 26.34 52.68 2.01594 56.2 5.0 4.9 5.8
19 0 4 2 27.142 54.283 1.96071 24.9 2.2 2.2 5.8
20 1 5 0 28.196 56.393 1.89306 17.6 1.6 1.5 5.8
21 2 0 2 28.878 57.757 1.85207 147.1 13.0 12.8 5.8
22 1 0 3 29.005 58.011 1.84465 12.5 1.1 1.1 5.8
23 2 1 2 29.382 58.765 1.82307 33.0 2.9 2.9 5.8
24 1 1 3 29.508 59.016 1.81599 163.4 14.4 14.1 5.8
25 1 5 1 29.691 59.383 1.80579 75.6 6.7 6.5 5.8
26 2 2 2 30.864 61.728 1.74359 396.5 35.1 34.2 5.8
27 2 4 0 30.953 61.906 1.73906 91.0 8.0 7.8 5.8
28 1 2 3 30.986 61.972 1.7374 68.3 6.0 5.9 5.8
29 0 6 0 31.264 62.528 1.7235 11.9 1.1 1.0 5.8
30 2 4 1 32.37 64.741 1.67067 195.6 17.3 16.8 5.9
31 0 6 1 32.674 65.347 1.65686 220.4 19.5 18.9 5.9
32 1 3 3 33.364 66.729 1.62641 263.1 23.3 22.5 5.9
33 1 5 2 33.936 67.871 1.60223 31.1 2.8 2.7 5.9
34 0 4 3 34.365 68.73 1.58462 146.7 13.0 12.5 5.9
35 2 1 3 36.345 72.69 1.50926 15.9 1.4 1.3 6.0
36 0 0 4 36.488 72.977 1.50415 229.9 20.3 19.4 6.0
37 3 1 1 36.599 73.197 1.50025 139.0 12.3 11.8 6.0
38 0 6 2 36.735 73.47 1.49546 159.2 14.1 13.5 6.0
39 3 2 1 37.933 75.866 1.45502 45.9 4.1 3.9 6.0
40 1 1 4 39.074 78.149 1.41904 37.4 3.3 3.1 6.0
41 1 7 0 39.396 78.791 1.40933 88.4 7.8 7.4 6.0
42 2 6 0 40.058 80.116 1.38985 25.4 2.2 2.1 6.0
43 3 3 1 40.124 80.249 1.38794 66.2 5.9 5.5 6.0
44 1 5 3 40.522 81.044 1.37664 22.5 2.0 1.9 6.1
45 2 6 1 41.339 82.678 1.35419 43.3 3.8 3.6 6.1
46 3 2 2 41.797 83.594 1.34204 144.0 12.7 11.9 6.1
47 3 4 0 41.876 83.752 1.33997 19.2 1.7 1.6 6.1
48 1 3 4 42.543 85.086 1.32289 49.3 4.4 4.1 6.1
49 2 4 3 42.904 85.808 1.31389 33.7 3.0 2.8 6.1
50 3 4 1 43.147 86.295 1.30793 69.4 6.1 5.7 6.1
51 0 6 3 43.18 86.359 1.30714 92.2 8.2 7.6 6.1
52 3 3 2 43.947 87.893 1.28887 43.9 3.9 3.6 6.2
53 1 7 2 44.497 88.993 1.27622 114.8 10.2 9.4 6.2
54 2 0 4 44.912 89.823 1.26691 22.0 1.9 1.8 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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