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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POIRIERITE
1
Mg(2)SiO(4)
Orthorhombic P mma Z = 2
Pmma
19 .2 .21
Ref.Str.:
Tomioka N, Bindi L, Okuchi T, Miyahara M, Iitaka T, Li Z, Kawatsu T.,
Xie X, Purevjav N, Tani R, Kodama Y. (2021)
* Communications Earth & Environment, 2, 16
L: $Mg1.962 Fe2+0.038 Si1 O4$
R: Locality - Suizhou meteorite (Suizhou L6 chondrite), Xihe, Zengdu District
(Cengdou District), Suizhou, Hubei, China. IMA2018-026b.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.802 alpha = 90.0
b = 2.905 beta = 90.0
c = 8.411 gamma = 90.0
Unit cell volume (cub. angs.) = 141.77
Molar volume ( cub.cm/mol.) = 42.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.5 0.0 Mg = 1.00
2 0.25 0.0 0.2175 0.0 Mg = 0.96, Fe = 0.04
3 0.25 0.5 0.8642 0.0 Si = 1.00
4 0.25 0.0 0.4693 0.0 O = 1.00
5 0.25 0.0 0.9628 0.0 O = 1.00
6 0.0091 0.5 0.7583 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.5
2 2 0.25 0.0 0.2175
3 3 0.25 0.5 0.8642
4 4 0.25 0.0 0.4693
5 5 0.25 0.0 0.9628
6 6 0.0091 0.5 0.7583
7 1 0.5 0.5 0.5
8 6 0.4909 0.5 0.7583
9 2 0.75 0.0 0.7825
10 3 0.75 0.5 0.1358
11 4 0.75 0.0 0.5307
12 5 0.75 0.0 0.0372
13 6 0.5091 0.5 0.2417
14 6 0.9909 0.5 0.2417
X-ray density (g/cm cub.) = 3.32
MU (1/cm) = 115.509 Mass attenuation coefficient (cm**2/g) = 34.761
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.0689 4
2.0689 4
2.1732 6
2.0689 4
2.0689 4
2.1732 6
2 Mg ,Fe 2.592 6
2.1179 4
2.1423 5
2.1003 6
2.1003 6
2.1003 6
2.1003 6
3 Si 2.1 4
1.6726 5
1.6726 5
1.6574 6
1.6574 6
4 O 3.264 12
2.905 4
2.905 4
3.1578 6
3.1578 6
3.1578 6
3.1578 6
2.9466 4
2.9466 4
2.8345 6
2.8345 6
2.8345 6
2.8345 6
5 O 3.264 12
2.905 5
2.905 5
2.6499 6
2.6499 6
2.6499 6
2.6499 6
2.9677 5
2.9677 5
3.1421 6
3.1421 6
3.1421 6
3.1421 6
6 O 3.264 12
3.1578 4
3.1578 4
2.6499 5
2.6499 5
2.905 6
2.905 6
2.7954 6
3.0066 6
2.8345 4
2.8345 4
3.1421 5
3.1421 5
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 1 5.255 10.509 0.059 235.49 2 1.0 2.6
2 1 0 1 9.281 18.563 0.105 73.96 4 0.9 1.1
3 0 0 2 10.554 21.108 0.119 56.71 2 4.7 12.6
4 1 0 2 13.074 26.149 0.147 36.23 4 25.0 449.9
5 0 1 0 15.376 30.753 0.172 25.65 2 20.2 104.2
6 2 0 0 15.398 30.796 0.172 25.57 2 22.0 122.8
7 0 0 3 15.947 31.893 0.178 23.71 2 51.4 624.4
8 0 1 1 16.292 32.583 0.182 22.64 4 7.3 24.0
9 2 0 1 16.312 32.624 0.182 22.58 4 34.4 530.5
10 1 0 3 17.766 35.533 0.198 18.75 4 26.0 252.9
11 1 1 1 18.081 36.161 0.201 18.04 8 33.9 825.9
12 0 1 2 18.8 37.6 0.209 16.56 4 10.3 35.0
13 2 0 2 18.818 37.637 0.209 16.52 4 4.9 7.8
14 1 1 2 20.398 40.796 0.226 13.82 8 17.3 165.3
15 0 0 4 21.489 42.978 0.238 12.3 2 43.9 235.9
16 2 1 0 22.04 44.079 0.244 11.62 4 55.2 703.7
17 0 1 3 22.447 44.894 0.248 11.15 4 24.3 130.8
18 2 0 3 22.463 44.925 0.248 11.13 4 6.3 8.9
19 2 1 1 22.722 45.444 0.251 10.84 8 24.1 250.3
20 1 0 4 22.932 45.864 0.253 10.62 4 21.8 100.9
21 1 1 3 23.844 47.688 0.262 9.72 8 5.9 13.7
22 3 0 1 24.122 48.243 0.265 9.47 4 5.8 6.3
23 2 1 2 24.681 49.361 0.271 8.99 8 1.7 1.0
24 3 0 2 26.001 52.001 0.285 7.98 4 17.6 49.2
25 0 1 4 26.886 53.772 0.294 7.4 4 6.6 6.4
26 2 0 4 26.9 53.799 0.294 7.39 4 26.3 101.7
27 0 0 5 27.252 54.503 0.297 7.17 2 6.3 2.8
28 2 1 3 27.715 55.43 0.302 6.9 8 13.3 48.7
29 1 1 4 28.119 56.237 0.306 6.68 8 28.4 214.1
30 1 0 5 28.474 56.948 0.309 6.49 4 21.6 60.4
31 3 0 3 28.937 57.874 0.314 6.26 4 25.3 79.7
32 3 1 1 29.154 58.308 0.316 6.16 8 24.7 148.9
33 3 1 2 30.819 61.639 0.333 5.44 8 15.6 53.0
34 2 1 4 31.628 63.256 0.34 5.14 8 63.6 827.6
35 0 1 5 31.947 63.894 0.343 5.02 4 28.6 81.9
36 2 0 5 31.959 63.918 0.344 5.02 4 14.8 21.8
37 0 2 0 32.027 64.053 0.344 5.0 2 73.7 270.1
38 4 0 0 32.076 64.152 0.345 4.98 2 73.2 265.9
39 0 2 1 32.559 65.117 0.349 4.82 4 0.1 0.0
40 4 0 1 32.608 65.215 0.35 4.81 4 0.1 0.0
41 3 0 4 32.761 65.521 0.351 4.76 4 17.4 28.7
42 1 1 5 33.061 66.122 0.354 4.67 8 6.7 8.3
43 0 0 6 33.331 66.663 0.357 4.59 2 6.0 1.6
44 3 1 3 33.487 66.973 0.358 4.54 8 1.4 0.4
45 1 2 1 33.662 67.325 0.36 4.49 8 1.1 0.2
46 0 2 2 34.129 68.257 0.364 4.36 4 2.6 0.6
47 4 0 2 34.176 68.353 0.365 4.35 4 2.3 0.4
48 1 0 6 34.423 68.845 0.367 4.29 4 14.5 18.0
49 1 2 2 35.208 70.416 0.374 4.1 8 15.3 38.2
50 2 1 5 36.3 72.6 0.384 3.86 8 7.2 8.0
51 2 2 0 36.375 72.751 0.385 3.84 4 15.8 19.1
52 4 1 0 36.41 72.82 0.385 3.83 4 14.4 15.8
53 0 2 3 36.674 73.347 0.388 3.78 4 35.9 97.3
54 4 0 3 36.72 73.44 0.388 3.77 4 35.9 96.6
55 2 2 1 36.877 73.754 0.39 3.74 8 25.0 93.0
56 4 1 1 36.912 73.824 0.39 3.74 8 5.1 3.8
57 3 1 4 37.056 74.113 0.391 3.71 8 22.8 77.0
58 3 0 5 37.364 74.728 0.394 3.65 4 22.0 35.2
59 0 1 6 37.598 75.195 0.396 3.61 4 8.0 4.6
60 2 0 6 37.609 75.218 0.396 3.61 4 3.8 1.0
61 1 2 3 37.722 75.444 0.397 3.59 8 19.0 51.8
62 2 2 2 38.368 76.736 0.403 3.48 8 3.7 1.9
63 4 1 2 38.402 76.805 0.403 3.48 8 0.1 0.0
64 1 1 6 38.637 77.275 0.405 3.44 8 12.6 21.6
65 0 0 7 39.871 79.742 0.416 3.27 2 16.9 9.4
66 0 2 4 40.131 80.261 0.418 3.24 4 26.0 43.5
67 4 0 4 40.176 80.352 0.419 3.23 4 25.7 42.4
68 2 2 3 40.815 81.63 0.424 3.16 8 5.8 4.3
69 4 1 3 40.849 81.697 0.425 3.15 8 18.3 42.0
70 1 0 7 40.894 81.788 0.425 3.15 4 3.1 0.6
71 1 2 4 41.152 82.305 0.427 3.12 8 13.7 23.2
72 3 1 5 41.474 82.947 0.43 3.09 8 8.9 9.6
73 2 1 6 41.712 83.424 0.432 3.07 8 5.3 3.5
74 3 2 1 42.03 84.059 0.435 3.04 8 3.0 1.1
75 5 0 1 42.074 84.149 0.435 3.03 4 2.0 0.2
76 3 0 6 42.738 85.476 0.441 2.97 4 14.6 12.7
77 3 2 2 43.476 86.952 0.447 2.92 8 13.4 20.9
78 5 0 2 43.52 87.041 0.447 2.92 4 13.9 11.2
79 0 1 7 43.926 87.853 0.45 2.89 4 11.3 7.4
80 2 0 7 43.938 87.875 0.45 2.89 4 15.3 13.4
81 2 2 4 44.193 88.387 0.452 2.87 8 20.1 46.2
82 4 1 4 44.227 88.454 0.453 2.87 8 6.9 5.5
83 0 2 5 44.479 88.958 0.455 2.86 4 5.5 1.7
84 4 0 5 44.523 89.047 0.455 2.85 4 5.6 1.8
85 1 1 7 44.937 89.873 0.458 2.83 8 6.6 4.8
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 10.554 21.108 4.2055 12.6 1.5 1.6 5.6
2 1 0 2 13.074 26.149 3.40508 449.9 54.4 56.7 5.6
3 2 0 0 15.398 30.796 2.901 226.9 27.4 28.5 5.6
4 0 0 3 15.947 31.893 2.80367 624.4 75.5 78.3 5.6
5 2 0 1 16.312 32.624 2.74246 554.5 67.0 69.5 5.6
6 1 0 3 17.766 35.533 2.52439 252.9 30.6 31.6 5.7
7 1 1 1 18.081 36.161 2.48193 825.9 99.8 103.2 5.7
8 0 1 2 18.8 37.6 2.3902 42.7 5.2 5.3 5.7
9 1 1 2 20.398 40.796 2.21001 165.3 20.0 20.6 5.7
10 0 0 4 21.489 42.978 2.10275 235.9 28.5 29.3 5.7
11 2 1 0 22.04 44.079 2.05273 703.7 85.0 87.2 5.7
12 0 1 3 22.447 44.894 2.01736 139.6 16.9 17.3 5.7
13 2 1 1 22.722 45.444 1.9942 250.3 30.3 31.0 5.7
14 1 0 4 22.932 45.864 1.97692 100.9 12.2 12.5 5.7
15 1 1 3 23.844 47.688 1.90547 13.7 1.6 1.7 5.7
16 3 0 2 26.001 52.001 1.7571 49.2 6.0 6.0 5.8
17 2 0 4 26.9 53.799 1.70254 108.1 13.1 13.2 5.8
18 2 1 3 27.715 55.43 1.65626 48.7 5.9 6.0 5.8
19 1 1 4 28.119 56.237 1.63437 214.1 25.9 26.1 5.8
20 1 0 5 28.474 56.948 1.61566 60.4 7.3 7.4 5.8
21 3 0 3 28.937 57.874 1.59198 79.7 9.6 9.7 5.8
22 3 1 1 29.154 58.308 1.58117 148.9 18.0 18.1 5.8
23 3 1 2 30.819 61.639 1.50347 53.0 6.4 6.4 5.8
24 2 1 4 31.628 63.256 1.46886 827.6 100.0 100.0 5.9
25 0 1 5 31.947 63.894 1.45574 103.7 12.5 12.5 5.9
26 0 2 0 32.027 64.053 1.4525 270.1 32.6 32.6 5.9
27 4 0 0 32.076 64.152 1.4505 265.9 32.1 32.1 5.9
28 3 0 4 32.761 65.521 1.42347 28.7 3.5 3.5 5.9
29 1 0 6 34.423 68.845 1.36262 18.0 2.2 2.2 5.9
30 1 2 2 35.208 70.416 1.33603 38.2 4.6 4.6 5.9
31 2 2 0 36.375 72.751 1.2988 19.1 2.3 2.3 6.0
32 4 1 0 36.41 72.82 1.29772 15.8 1.9 1.9 6.0
33 0 2 3 36.674 73.347 1.2897 97.3 11.8 11.5 6.0
34 4 0 3 36.72 73.44 1.2883 96.6 11.7 11.5 6.0
35 2 2 1 36.877 73.754 1.28358 93.0 11.2 11.0 6.0
36 3 1 4 37.056 74.113 1.27826 77.0 9.3 9.1 6.0
37 3 0 5 37.364 74.728 1.26925 35.2 4.3 4.2 6.0
38 1 2 3 37.722 75.444 1.25897 51.8 6.3 6.1 6.0
39 1 1 6 38.637 77.275 1.23365 21.6 2.6 2.5 6.0
40 0 0 7 39.871 79.742 1.20157 9.4 1.1 1.1 6.0
41 0 2 4 40.131 80.261 1.1951 43.5 5.3 5.1 6.0
42 4 0 4 40.176 80.352 1.19398 42.4 5.1 5.0 6.0
43 4 1 3 40.849 81.697 1.17768 42.0 5.1 4.9 6.1
44 1 2 4 41.152 82.305 1.17052 23.2 2.8 2.7 6.1
45 3 1 5 41.474 82.947 1.16308 9.6 1.2 1.1 6.1
46 3 0 6 42.738 85.476 1.13503 12.7 1.5 1.5 6.1
47 3 2 2 43.476 86.952 1.11952 20.9 2.5 2.4 6.1
48 5 0 2 43.52 87.041 1.1186 11.2 1.4 1.3 6.1
49 2 0 7 43.938 87.875 1.11012 20.7 2.5 2.4 6.2
50 2 2 4 44.193 88.387 1.105 46.2 5.6 5.3 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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