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 ***
***********************
FORSTERITE
52, t-olivine, analogue
LiMgPO(4)
Orthorhombic P nma Z = 4
R =0.048 NR =1262
8 .8 .1997
Ref.Str.:
Hanic F., Handlovic M., Burdova K., Majling J. (1982)
* J. Cryst. Spectr. Res., 12, 99-127
Reserv:
In original - olivine[38]. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.147 alpha = 90.0
b = 5.909 beta = 90.0
c = 4.692 gamma = 90.0
Unit cell volume (cub. angs.) = 281.33
Molar volume ( cub.cm/mol.) = 42.36
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 0.2783 0.25 0.982 0.0 Mg = 1.00
3 0.0952 0.25 0.4169 0.0 P = 1.00
4 0.1017 0.25 0.741 0.0 O = 1.00
5 0.4537 0.25 0.1986 0.0 O = 1.00
6 0.1664 0.0442 0.2804 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 0.2783 0.25 0.982
3 3 0.0952 0.25 0.4169
4 4 0.1017 0.25 0.741
5 5 0.4537 0.25 0.1986
6 6 0.1664 0.0442 0.2804
7 1 0.5 0.0 0.5
8 2 0.2217 0.75 0.482
9 3 0.4048 0.75 0.9169
10 4 0.3983 0.75 0.241
11 5 0.0463 0.75 0.6986
12 6 0.3336 0.9558 0.7804
13 1 0.5 0.5 0.5
14 6 0.3336 0.5442 0.7804
15 1 0.0 0.5 0.0
16 6 0.1664 0.4558 0.2804
17 2 0.7783 0.25 0.518
18 3 0.5952 0.25 0.0831
19 4 0.6017 0.25 0.759
20 5 0.9537 0.25 0.3014
21 6 0.6664 0.0442 0.2196
22 2 0.7217 0.75 0.018
23 3 0.9048 0.75 0.5831
24 4 0.8983 0.75 0.259
25 5 0.5463 0.75 0.8014
26 6 0.8336 0.9558 0.7196
27 6 0.8336 0.5442 0.7196
28 6 0.6664 0.4558 0.2196
X-ray density (g/cm cub.) = 2.98
MU (1/cm) = 93.803 Mass attenuation coefficient (cm**2/g) = 31.488
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 6
2.1735 4
2.1564 6
2.0983 5
2.0983 5
2.1735 4
2.1564 6
2 Mg 2.52 6
2.1189 4
2.0495 5
2.1745 6
2.0571 6
2.0571 6
2.1745 6
3 P 2.232 4
1.5221 4
1.5527 6
1.5527 6
1.5347 5
4 O 3.264 12
2.8836 6
2.5652 6
3.0141 5
3.0141 5
2.9314 6
2.9314 6
2.8836 6
2.5652 6
3.028 5
2.5514 5
3.23 6
3.23 6
5 O 3.264 10
3.1819 6
3.0141 4
3.0141 4
2.8909 6
2.8909 6
3.1819 6
3.028 4
2.5514 4
2.4792 6
2.4792 6
6 O 3.264 10
2.5652 4
2.8836 4
3.1819 5
2.9314 4
2.8909 5
2.9419 6
2.9419 6
2.4321 6
2.4792 5
3.23 4
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 2 0 0 8.733 17.465 0.099 83.83 2 7.6 12.3
2 1 0 1 10.42 20.841 0.117 58.23 4 51.1 767.9
3 2 1 0 11.543 23.087 0.13 47.06 4 56.9 769.1
4 0 1 1 12.101 24.201 0.136 42.64 4 33.3 239.3
5 1 1 1 12.882 25.765 0.145 37.38 8 13.7 71.0
6 2 0 1 12.921 25.842 0.145 37.14 4 29.9 168.2
7 2 1 1 15.001 30.002 0.168 27.04 8 18.2 90.4
8 0 2 0 15.112 30.225 0.169 26.62 2 83.1 464.4
9 3 0 1 16.304 32.609 0.182 22.6 4 38.8 172.2
10 2 2 0 17.56 35.119 0.196 19.23 4 20.3 40.1
11 4 0 0 17.677 35.354 0.197 18.96 2 30.4 44.3
12 3 1 1 18.031 36.062 0.201 18.15 8 62.0 705.5
13 1 2 1 18.5 37.001 0.206 17.15 8 47.4 389.1
14 0 0 2 19.168 38.336 0.213 15.86 2 17.9 12.8
15 4 1 0 19.296 38.592 0.214 15.63 4 32.6 84.1
16 1 0 2 19.694 39.388 0.219 14.94 4 36.2 99.2
17 2 2 1 20.089 40.177 0.223 14.29 8 41.7 251.3
18 4 0 1 20.193 40.386 0.224 14.13 4 54.5 212.1
19 1 1 2 21.182 42.364 0.235 12.7 8 39.0 195.3
20 2 0 2 21.207 42.414 0.235 12.67 4 17.6 19.8
21 4 1 1 21.653 43.306 0.24 12.09 8 1.6 0.3
22 3 2 1 22.528 45.055 0.249 11.06 8 7.7 6.7
23 2 1 2 22.613 45.227 0.25 10.96 8 11.7 15.3
24 3 0 2 23.552 47.105 0.259 10.0 4 15.1 11.5
25 4 2 0 23.592 47.184 0.26 9.96 4 1.6 0.1
26 5 0 1 24.428 48.855 0.268 9.2 4 10.5 5.1
27 0 2 2 24.788 49.576 0.272 8.9 4 39.6 70.5
28 2 3 0 24.804 49.607 0.272 8.89 4 7.6 2.6
29 3 1 2 24.854 49.709 0.273 8.85 8 0.5 0.0
30 0 3 1 25.096 50.191 0.275 8.65 4 12.1 6.4
31 1 2 2 25.219 50.437 0.277 8.56 8 10.9 10.3
32 1 3 1 25.523 51.046 0.28 8.33 8 18.2 28.0
33 4 2 1 25.631 51.263 0.281 8.25 8 10.4 9.1
34 5 1 1 25.696 51.393 0.281 8.2 8 22.1 40.6
35 2 2 2 26.481 52.962 0.289 7.66 8 57.6 257.2
36 4 0 2 26.566 53.131 0.29 7.6 4 40.5 63.1
37 2 3 1 26.775 53.55 0.292 7.47 8 30.7 70.9
38 6 0 0 27.095 54.191 0.296 7.27 2 23.3 10.0
39 4 1 2 27.764 55.528 0.302 6.88 8 41.7 121.1
40 6 1 0 28.279 56.557 0.308 6.6 4 68.0 154.1
41 3 2 2 28.497 56.995 0.31 6.48 8 14.7 14.1
42 3 3 1 28.777 57.555 0.312 6.34 8 52.1 174.1
43 6 0 1 28.957 57.914 0.314 6.25 4 9.6 2.9
44 5 2 1 29.266 58.532 0.317 6.1 8 3.8 0.9
45 4 3 0 29.677 59.355 0.321 5.92 4 56.9 96.7
46 1 0 3 29.889 59.778 0.323 5.82 4 23.4 16.1
47 6 1 1 30.093 60.185 0.325 5.73 8 3.6 0.7
48 5 0 2 30.124 60.247 0.326 5.72 4 10.3 3.1
49 0 1 3 30.628 61.257 0.331 5.51 4 23.9 15.9
50 1 1 3 31.003 62.007 0.334 5.37 8 28.4 43.9
51 2 0 3 31.023 62.045 0.335 5.36 4 32.0 27.7
52 1 3 2 31.08 62.161 0.335 5.34 8 26.2 37.1
53 4 2 2 31.176 62.352 0.336 5.3 8 1.2 0.1
54 5 1 2 31.233 62.466 0.337 5.28 8 29.8 47.4
55 0 4 0 31.428 62.856 0.338 5.21 2 110.5 160.6
56 4 3 1 31.441 62.882 0.339 5.2 8 13.7 9.9
57 6 2 0 31.656 63.311 0.341 5.13 4 88.3 202.2
58 2 1 3 32.114 64.228 0.345 4.97 8 21.7 23.6
59 2 3 2 32.19 64.379 0.346 4.94 8 15.9 12.6
60 3 0 3 32.862 65.723 0.352 4.73 4 10.3 2.6
61 2 4 0 32.894 65.787 0.353 4.72 4 1.2 0.0
62 6 2 1 33.359 66.719 0.357 4.58 8 8.3 3.2
63 1 4 1 33.498 66.996 0.358 4.54 8 29.0 38.6
64 7 0 1 33.791 67.582 0.361 4.46 4 45.1 45.7
65 3 1 3 33.921 67.842 0.362 4.42 8 28.8 37.0
66 3 3 2 33.994 67.989 0.363 4.4 8 10.1 4.6
67 6 0 2 34.158 68.317 0.364 4.36 4 35.1 27.2
68 1 2 3 34.222 68.444 0.365 4.34 8 3.8 0.6
69 5 2 2 34.44 68.881 0.367 4.28 8 7.5 2.5
70 2 4 1 34.566 69.132 0.368 4.25 8 6.5 1.8
71 5 3 1 34.692 69.385 0.369 4.22 8 13.6 7.9
72 7 1 1 34.837 69.673 0.371 4.18 8 19.1 15.5
73 6 1 2 35.199 70.398 0.374 4.1 8 11.1 5.1
74 2 2 3 35.28 70.559 0.375 4.08 8 66.0 179.6
75 4 0 3 35.351 70.703 0.376 4.06 4 49.2 49.7
76 3 4 1 36.313 72.627 0.384 3.85 8 24.5 23.3
77 4 1 3 36.377 72.753 0.385 3.84 8 40.4 63.4
78 4 3 2 36.448 72.896 0.386 3.83 8 14.8 8.5
79 6 3 0 36.893 73.787 0.39 3.74 4 56.8 60.9
80 3 2 3 37.013 74.026 0.391 3.72 8 24.8 23.1
81 4 4 0 37.114 74.227 0.392 3.7 4 9.6 1.7
82 8 0 0 37.394 74.789 0.394 3.65 2 4.6 0.2
83 7 2 1 37.897 75.794 0.399 3.56 8 36.6 48.1
84 0 4 2 38.039 76.077 0.4 3.54 4 13.7 3.4
85 6 2 2 38.247 76.495 0.402 3.5 8 1.0 0.0
86 1 4 2 38.378 76.757 0.403 3.48 8 21.4 16.1
87 8 1 0 38.399 76.797 0.403 3.48 4 20.4 7.3
88 5 0 3 38.447 76.895 0.404 3.47 4 7.7 1.1
89 6 3 1 38.489 76.979 0.404 3.47 8 23.0 18.5
90 7 0 2 38.656 77.312 0.405 3.44 4 22.6 8.9
91 4 4 1 38.707 77.413 0.406 3.43 8 17.4 10.5
92 0 3 3 38.968 77.936 0.408 3.39 4 42.7 31.3
93 8 0 1 38.983 77.967 0.408 3.39 4 5.0 0.4
94 1 3 3 39.305 78.611 0.411 3.35 8 13.2 5.9
95 4 2 3 39.391 78.783 0.412 3.33 8 13.7 6.3
96 2 4 2 39.392 78.784 0.412 3.33 8 18.5 11.6
97 5 1 3 39.443 78.886 0.412 3.33 8 1.9 0.1
98 5 3 2 39.512 79.025 0.413 3.32 8 31.9 34.0
99 7 1 2 39.65 79.3 0.414 3.3 8 9.8 3.2
100 8 1 1 39.975 79.951 0.417 3.26 8 14.5 6.9
101 2 3 3 40.312 80.625 0.42 3.22 8 9.5 3.0
102 0 0 4 41.047 82.094 0.426 3.13 2 42.2 14.1
103 3 4 2 41.066 82.132 0.426 3.13 8 14.6 6.7
104 8 2 0 41.368 82.736 0.429 3.1 4 7.0 0.8
105 1 0 4 41.38 82.76 0.429 3.1 4 16.3 4.2
106 5 4 1 41.722 83.443 0.432 3.06 8 11.6 4.1
107 3 3 3 41.979 83.957 0.434 3.04 8 24.8 18.9
108 2 5 0 42.008 84.016 0.434 3.04 4 43.4 28.9
109 6 0 3 42.131 84.263 0.435 3.03 4 6.7 0.7
110 0 5 1 42.233 84.465 0.436 3.02 4 33.2 16.8
111 1 1 4 42.359 84.719 0.437 3.01 8 9.5 2.7
112 2 0 4 42.376 84.753 0.438 3.0 4 23.0 8.0
113 5 2 3 42.395 84.79 0.438 3.0 8 27.7 23.4
114 1 5 1 42.564 85.128 0.439 2.99 8 5.5 0.9
115 7 2 2 42.599 85.198 0.439 2.99 8 34.9 36.7
116 7 3 1 42.835 85.671 0.441 2.97 8 21.4 13.7
117 8 2 1 42.92 85.84 0.442 2.96 8 30.9 28.6
118 6 1 3 43.108 86.217 0.444 2.95 8 35.4 37.3
119 6 3 2 43.177 86.353 0.444 2.94 8 11.1 3.7
120 2 1 4 43.353 86.705 0.446 2.93 8 8.8 2.3
121 4 4 2 43.389 86.778 0.446 2.93 8 20.9 12.9
122 2 5 1 43.557 87.114 0.447 2.91 8 3.0 0.3
123 8 0 2 43.66 87.319 0.448 2.91 4 20.6 6.2
124 6 4 0 43.816 87.632 0.449 2.9 4 33.9 16.8
125 3 0 4 44.031 88.061 0.451 2.88 4 26.5 10.2
126 4 3 3 44.295 88.591 0.453 2.87 8 45.2 59.3
127 8 1 2 44.634 89.267 0.456 2.85 8 18.3 9.7
128 9 0 1 44.64 89.281 0.456 2.85 4 27.6 10.9
129 0 2 4 44.954 89.908 0.459 2.83 4 1.6 0.0
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 2 0 0 8.733 17.465 5.0735 12.3 1.6 1.6 5.6
2 1 0 1 10.42 20.841 4.25874 767.9 99.8 100.0 5.6
3 2 1 0 11.543 23.087 3.8493 769.1 100.0 100.0 5.6
4 0 1 1 12.101 24.201 3.67449 239.3 31.1 31.1 5.6
5 1 1 1 12.882 25.765 3.45493 71.0 9.2 9.2 5.6
6 2 0 1 12.921 25.842 3.44473 168.2 21.9 21.8 5.6
7 2 1 1 15.001 30.002 2.97596 90.4 11.8 11.7 5.6
8 0 2 0 15.112 30.225 2.9545 464.4 60.4 60.0 5.6
9 3 0 1 16.304 32.609 2.74374 172.2 22.4 22.2 5.6
10 2 2 0 17.56 35.119 2.55314 40.1 5.2 5.2 5.7
11 4 0 0 17.677 35.354 2.53675 44.3 5.8 5.7 5.7
12 3 1 1 18.031 36.062 2.48856 705.5 91.7 90.8 5.7
13 1 2 1 18.5 37.001 2.42753 389.1 50.6 50.0 5.7
14 0 0 2 19.168 38.336 2.346 12.8 1.7 1.6 5.7
15 4 1 0 19.296 38.592 2.33102 84.1 10.9 10.8 5.7
16 1 0 2 19.694 39.388 2.28571 99.2 12.9 12.7 5.7
17 2 2 1 20.089 40.177 2.24262 251.3 32.7 32.2 5.7
18 4 0 1 20.193 40.386 2.23149 212.1 27.6 27.2 5.7
19 1 1 2 21.182 42.364 2.13178 215.1 28.0 27.5 5.7
20 2 1 2 22.613 45.227 2.00327 15.3 2.0 1.9 5.7
21 3 0 2 23.552 47.105 1.92769 11.5 1.5 1.5 5.7
22 0 2 2 24.788 49.576 1.83724 73.1 9.5 9.3 5.7
23 1 2 2 25.219 50.437 1.80785 10.3 1.3 1.3 5.8
24 1 3 1 25.523 51.046 1.78772 28.0 3.6 3.5 5.8
25 4 2 1 25.631 51.263 1.78066 9.1 1.2 1.1 5.8
26 5 1 1 25.696 51.393 1.77647 40.6 5.3 5.1 5.8
27 2 2 2 26.481 52.962 1.72747 257.2 33.4 32.5 5.8
28 4 0 2 26.566 53.131 1.72236 63.1 8.2 8.0 5.8
29 2 3 1 26.775 53.55 1.70988 70.9 9.2 8.9 5.8
30 6 0 0 27.095 54.191 1.69117 10.0 1.3 1.3 5.8
31 4 1 2 27.764 55.528 1.65355 121.1 15.7 15.2 5.8
32 6 1 0 28.279 56.557 1.62589 154.1 20.0 19.4 5.8
33 3 2 2 28.497 56.995 1.61444 14.1 1.8 1.8 5.8
34 3 3 1 28.777 57.555 1.60006 174.1 22.6 21.8 5.8
35 4 3 0 29.677 59.355 1.55576 96.7 12.6 12.1 5.8
36 1 0 3 29.889 59.778 1.54575 16.1 2.1 2.0 5.8
37 0 1 3 30.628 61.257 1.51194 15.9 2.1 2.0 5.8
38 1 1 3 31.003 62.007 1.49543 71.5 9.3 8.9 5.8
39 1 3 2 31.08 62.161 1.49209 37.1 4.8 4.6 5.8
40 5 1 2 31.233 62.466 1.48553 47.4 6.2 5.9 5.8
41 0 4 0 31.428 62.856 1.47725 170.4 22.2 21.2 5.9
42 6 2 0 31.656 63.311 1.46773 202.2 26.3 25.2 5.9
43 2 1 3 32.114 64.228 1.44896 23.6 3.1 2.9 5.9
44 2 3 2 32.19 64.379 1.44593 12.6 1.6 1.6 5.9
45 1 4 1 33.498 66.996 1.39567 38.6 5.0 4.8 5.9
46 7 0 1 33.791 67.582 1.38498 45.7 5.9 5.7 5.9
47 3 1 3 33.921 67.842 1.38031 37.0 4.8 4.6 5.9
48 6 0 2 34.158 68.317 1.37187 27.2 3.5 3.4 5.9
49 5 3 1 34.692 69.385 1.35334 7.9 1.0 1.0 5.9
50 7 1 1 34.837 69.673 1.34844 15.5 2.0 1.9 5.9
51 2 2 3 35.28 70.559 1.33366 179.6 23.4 22.1 5.9
52 4 0 3 35.351 70.703 1.33131 49.7 6.5 6.1 5.9
53 3 4 1 36.313 72.627 1.30071 23.3 3.0 2.9 6.0
54 4 1 3 36.377 72.753 1.29875 63.4 8.2 7.8 6.0
55 4 3 2 36.448 72.896 1.29657 8.5 1.1 1.0 6.0
56 6 3 0 36.893 73.787 1.2831 60.9 7.9 7.4 6.0
57 3 2 3 37.013 74.026 1.27955 23.1 3.0 2.8 6.0
58 7 2 1 37.897 75.794 1.25403 48.1 6.3 5.9 6.0
59 1 4 2 38.378 76.757 1.24068 23.4 3.0 2.8 6.0
60 6 3 1 38.489 76.979 1.23766 18.5 2.4 2.2 6.0
61 7 0 2 38.656 77.312 1.23316 8.9 1.2 1.1 6.0
62 4 4 1 38.707 77.413 1.23179 10.5 1.4 1.3 6.0
63 0 3 3 38.968 77.936 1.22483 31.7 4.1 3.8 6.0
64 2 4 2 39.392 78.784 1.21376 17.9 2.3 2.2 6.0
65 5 3 2 39.512 79.025 1.21066 34.0 4.4 4.1 6.0
66 0 0 4 41.047 82.094 1.173 20.8 2.7 2.5 6.1
67 2 5 0 42.008 84.016 1.15099 47.8 6.2 5.7 6.1
68 0 5 1 42.233 84.465 1.14601 16.8 2.2 2.0 6.1
69 5 2 3 42.395 84.79 1.14244 34.1 4.4 4.1 6.1
70 7 2 2 42.599 85.198 1.13801 36.7 4.8 4.4 6.1
71 7 3 1 42.835 85.671 1.13294 13.7 1.8 1.6 6.1
72 8 2 1 42.92 85.84 1.13114 28.6 3.7 3.4 6.1
73 6 1 3 43.108 86.217 1.12716 37.3 4.9 4.4 6.1
74 4 4 2 43.389 86.778 1.12131 12.9 1.7 1.5 6.1
75 6 4 0 43.816 87.632 1.11257 16.8 2.2 2.0 6.2
76 3 0 4 44.031 88.061 1.10825 10.2 1.3 1.2 6.2
77 4 3 3 44.295 88.591 1.10299 59.3 7.7 7.0 6.2
78 9 0 1 44.64 89.281 1.09624 20.6 2.7 2.4 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)
|