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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CLINOJIMTHOMPSONITE
1, f-jimthompsonite
(Mg,Fe)(10)Si(12)O(32)(OH)(4)
Monoclinic C 2/c Z = 2
C2/c
20 .11 .1999
Ref.Str.:
Veblen D.R., Burnham C.W. (1978)
* Amer. Mineral., 63, 1053-1073
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.874 alpha = 90.0
b = 27.24 beta = 109.5
c = 5.316 gamma = 90.0
Unit cell volume (cub. angs.) = 1347.82
Molar volume ( cub.cm/mol.) = 405.92
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0289 0.25 0.14 Mg = 0.97, Fe = 0.03
2 0.0 0.0849 0.75 0.16 Mg = 0.96, Fe = 0.04
3 0.0 0.1428 0.25 0.18 Mg = 0.9 , Fe = 0.09
4 0.0 0.2013 0.752 0.15 Mg = 0.99, Fe = 0.08
5 0.0 0.2569 0.25 0.43 Mg = 0.85, Fe = 0.16
6 0.2909 0.0277 0.7656 0.18 Si = 1.00
7 0.288 0.1359 0.761 0.24 Si = 1.00
8 0.2971 0.1962 0.263 0.25 Si = 1.00
9 0.1153 0.085 0.1566 0.23 OH = 1.00
10 0.3499 0.0037 0.5413 0.42 O = 1.00
11 0.1154 0.0278 0.6552 0.47 O = 1.00
12 0.3449 0.084 0.8197 0.33 O = 1.00
13 0.1149 0.142 0.6555 0.48 O = 1.00
14 0.3535 0.1713 0.0344 0.59 O = 1.00
15 0.3523 0.1628 0.539 0.76 O = 1.00
16 0.1219 0.1983 0.1536 0.45 O = 1.00
17 0.3777 0.2474 0.3581 0.48 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0289 0.25
2 2 0.0 0.0849 0.75
3 3 0.0 0.1428 0.25
4 4 0.0 0.2013 0.752
5 5 0.0 0.2569 0.25
6 6 0.2909 0.0277 0.7656
7 7 0.288 0.1359 0.761
8 8 0.2971 0.1962 0.263
9 9 0.1153 0.085 0.1566
10 10 0.3499 0.0037 0.5413
11 11 0.1154 0.0278 0.6552
12 12 0.3449 0.084 0.8197
13 13 0.1149 0.142 0.6555
14 14 0.3535 0.1713 0.0344
15 15 0.3523 0.1628 0.539
16 16 0.1219 0.1983 0.1536
17 17 0.3777 0.2474 0.3581
18 1 0.0 0.9711 0.75
19 2 0.0 0.9151 0.25
20 3 0.0 0.8572 0.75
21 4 0.0 0.7987 0.248
22 5 0.0 0.7431 0.75
23 6 0.7091 0.9723 0.2344
24 7 0.712 0.8641 0.239
25 8 0.7029 0.8038 0.737
26 9 0.8847 0.915 0.8434
27 10 0.6501 0.9963 0.4587
28 11 0.8846 0.9722 0.3448
29 12 0.6551 0.916 0.1803
30 13 0.8851 0.858 0.3445
31 14 0.6465 0.8287 0.9656
32 15 0.6477 0.8372 0.461
33 16 0.8781 0.8017 0.8464
34 17 0.6223 0.7526 0.6419
35 4 0.0 0.7987 0.252
36 6 0.2909 0.9723 0.2656
37 7 0.288 0.8641 0.261
38 8 0.2971 0.8038 0.763
39 9 0.1153 0.915 0.6566
40 10 0.3499 0.9963 0.0413
41 11 0.1154 0.9722 0.1552
42 12 0.3449 0.916 0.3197
43 13 0.1149 0.858 0.1555
44 14 0.3535 0.8287 0.5344
45 15 0.3523 0.8372 0.039
46 16 0.1219 0.8017 0.6536
47 17 0.3777 0.7526 0.8581
48 4 0.0 0.2013 0.748
49 6 0.7091 0.0277 0.7344
50 7 0.712 0.1359 0.739
51 8 0.7029 0.1962 0.237
52 9 0.8847 0.085 0.3434
53 10 0.6501 0.0037 0.9587
54 11 0.8846 0.0278 0.8448
55 12 0.6551 0.084 0.6803
56 13 0.8851 0.142 0.8445
57 14 0.6465 0.1713 0.4656
58 15 0.6477 0.1628 0.961
59 16 0.8781 0.1983 0.3464
60 17 0.6223 0.2474 0.1419
61 1 0.5 0.4711 0.75
62 2 0.5 0.4151 0.25
63 3 0.5 0.3572 0.75
64 4 0.5 0.2987 0.252
65 5 0.5 0.2431 0.75
66 6 0.7909 0.4723 0.2656
67 7 0.788 0.3641 0.261
68 8 0.7971 0.3038 0.763
69 9 0.6153 0.415 0.6566
70 10 0.8499 0.4963 0.0413
71 11 0.6154 0.4722 0.1552
72 12 0.8449 0.416 0.3197
73 13 0.6149 0.358 0.1555
74 14 0.8535 0.3287 0.5344
75 15 0.8523 0.3372 0.039
76 16 0.6219 0.3017 0.6536
77 17 0.8777 0.2526 0.8581
78 1 0.5 0.5289 0.25
79 2 0.5 0.5849 0.75
80 3 0.5 0.6428 0.25
81 4 0.5 0.7013 0.748
82 5 0.5 0.7569 0.25
83 6 0.2091 0.5277 0.7344
84 7 0.212 0.6359 0.739
85 8 0.2029 0.6962 0.237
86 9 0.3847 0.585 0.3434
87 10 0.1501 0.5037 0.9587
88 11 0.3846 0.5278 0.8448
89 12 0.1551 0.584 0.6803
90 13 0.3851 0.642 0.8445
91 14 0.1465 0.6713 0.4656
92 15 0.1477 0.6628 0.961
93 16 0.3781 0.6983 0.3464
94 17 0.1223 0.7474 0.1419
95 4 0.5 0.7013 0.752
96 6 0.7909 0.5277 0.7656
97 7 0.788 0.6359 0.761
98 8 0.7971 0.6962 0.263
99 9 0.6153 0.585 0.1566
100 10 0.8499 0.5037 0.5413
101 11 0.6154 0.5278 0.6552
102 12 0.8449 0.584 0.8197
103 13 0.6149 0.642 0.6555
104 14 0.8535 0.6713 0.0344
105 15 0.8523 0.6628 0.539
106 16 0.6219 0.6983 0.1536
107 17 0.8777 0.7474 0.3581
108 4 0.5 0.2987 0.248
109 6 0.2091 0.4723 0.2344
110 7 0.212 0.3641 0.239
111 8 0.2029 0.3038 0.737
112 9 0.3847 0.415 0.8434
113 10 0.1501 0.4963 0.4587
114 11 0.3846 0.4722 0.3448
115 12 0.1551 0.416 0.1803
116 13 0.3851 0.358 0.3445
117 14 0.1465 0.3287 0.9656
118 15 0.1477 0.3372 0.461
119 16 0.3781 0.3017 0.8464
120 17 0.1223 0.2526 0.6419
X-ray density (g/cm cub.) = 3.07
MU (1/cm) = 133.833 Mass attenuation coefficient (cm**2/g) = 43.6
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg ,Fe 2.592 4
2.0738 11
2.0788 11
2.0788 11
2.0738 11
2 Mg ,Fe 2.592 4
2.0869 11
2.0831 13
2.0869 11
2.0831 13
3 Mg ,Fe 2.592 4
2.074 13
2.0997 16
2.074 13
2.0997 16
4 Mg ,Fe 2.592 6
2.1326 13
2.0731 16
2.1238 13
2.0909 16
2.0455 17
2.0556 17
5 Mg ,Fe 2.592 4
2.1613 16
2.1613 16
2.0329 17
2.0329 17
6 Si 2.1 4
1.6286 10
1.6335 11
1.6176 12
1.6276 10
7 Si 2.1 4
1.5148 12
1.6197 13
1.6831 14
1.6832 15
8 Si 2.1 4
1.6428 14
1.6564 15
1.6317 16
1.6017 17
9 OH 3.312 9
3.0743 11
3.0877 11
3.0744 13
3.0822 13
3.3052 15
3.0871 16
3.0727 11
2.8006 11
2.7951 13
10 O 3.264 8
2.6636 11
2.6507 12
3.1446 10
2.6656 10
2.6656 10
2.6716 11
2.6568 12
3.0527 10
11 O 3.264 8
2.6636 10
2.6307 12
3.1108 13
2.7748 11
2.6716 10
3.0592 11
3.0592 11
2.7826 11
12 O 3.264 6
2.6507 10
2.6307 11
2.6631 13
2.6268 14
2.6291 15
2.6568 10
13 O 3.264 9
3.1108 11
2.6631 12
2.6602 14
2.6774 15
3.0407 16
3.0982 16
2.7713 13
2.8203 16
3.0151 17
14 O 3.264 8
2.6268 12
2.6602 13
2.6964 15
2.6398 15
2.672 16
2.6535 17
3.0326 14
3.0661 15
15 O 3.264 8
2.6291 12
2.6774 13
2.6398 14
2.6964 14
2.6826 16
2.5415 17
3.0661 14
3.0285 15
16 O 3.264 10
3.0982 13
3.0407 13
2.672 14
2.6826 15
2.7417 17
2.8203 13
2.9142 16
2.8179 17
2.9865 17
3.0975 17
17 O 3.264 8
2.6535 14
2.5415 15
2.7417 16
3.0012 17
2.8179 16
3.0151 13
2.9865 16
3.0975 16
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 2 0 3.242 6.484 0.037 622.31 2 90.7 563.6
2 1 1 0 5.017 10.034 0.057 258.51 4 120.8 830.9
3 0 4 0 6.495 12.989 0.073 153.36 2 59.8 60.4
4 1 3 0 6.806 13.613 0.077 139.43 4 57.4 101.2
5 1 1 -1 8.682 17.363 0.098 84.84 4 24.4 11.2
6 0 2 1 9.427 18.854 0.106 71.63 4 145.4 333.5
7 1 5 0 9.429 18.858 0.106 71.59 4 6.2 0.6
8 2 0 0 9.527 19.054 0.107 70.08 2 16.5 2.1
9 0 6 0 9.768 19.537 0.11 66.56 2 194.4 277.0
10 1 3 -1 9.836 19.672 0.111 65.62 4 59.4 51.0
11 2 2 0 10.073 20.147 0.114 62.46 4 88.8 108.4
12 0 4 1 11.002 22.004 0.124 52.01 4 118.1 159.8
13 2 2 -1 11.126 22.252 0.125 50.81 4 49.8 27.7
14 1 1 1 11.503 23.006 0.129 47.4 4 29.1 8.8
15 2 4 0 11.565 23.129 0.13 46.88 4 52.8 28.8
16 1 5 -1 11.822 23.645 0.133 44.76 4 16.5 2.7
17 1 7 0 12.389 24.778 0.139 40.58 4 91.8 75.3
18 1 3 1 12.408 24.815 0.139 40.45 4 121.1 130.6
19 2 4 -1 12.498 24.996 0.14 39.84 4 212.2 395.0
20 0 8 0 13.075 26.149 0.147 36.22 2 0.7 0.0
21 0 6 1 13.235 26.47 0.149 35.3 4 30.5 7.2
22 2 6 0 13.711 27.422 0.154 32.76 4 140.6 142.5
23 1 5 1 14.053 28.106 0.158 31.09 4 15.8 1.7
24 3 1 -1 14.25 28.499 0.16 30.18 4 13.2 1.2
25 1 7 -1 14.319 28.638 0.161 29.87 4 45.2 13.4
26 3 1 0 14.47 28.941 0.162 29.21 4 296.2 564.2
27 2 6 -1 14.516 29.032 0.163 29.01 4 180.0 207.0
28 3 3 -1 15.0 30.0 0.168 27.05 4 148.6 131.5
29 3 3 0 15.211 30.421 0.17 26.25 4 136.6 107.9
30 2 2 1 15.477 30.954 0.173 25.29 4 26.0 3.8
31 1 9 0 15.522 31.045 0.174 25.13 4 29.1 4.7
32 0 8 1 15.873 31.746 0.178 23.95 4 82.7 36.1
33 1 7 1 16.234 32.467 0.181 22.81 4 43.3 9.4
34 2 8 0 16.278 32.557 0.182 22.68 4 16.0 1.3
35 3 5 -1 16.407 32.813 0.183 22.3 4 8.9 0.4
36 0 10 0 16.426 32.852 0.184 22.24 2 43.3 4.6
37 2 4 1 16.515 33.029 0.185 21.98 4 145.0 101.7
38 3 5 0 16.601 33.203 0.185 21.73 4 164.2 129.0
39 1 1 -2 16.969 33.937 0.189 20.72 4 84.9 32.9
40 2 8 -1 16.973 33.945 0.189 20.71 4 337.6 519.7
41 1 9 -1 17.13 34.26 0.191 20.3 4 244.7 267.7
42 2 0 -2 17.25 34.5 0.192 19.99 2 139.7 43.0
43 2 2 -2 17.571 35.142 0.196 19.21 4 58.9 14.7
44 1 3 -2 17.614 35.229 0.196 19.1 4 51.5 11.2
45 0 0 2 17.904 35.809 0.2 18.43 2 456.1 422.1
46 2 6 1 18.127 36.253 0.202 17.94 4 130.2 67.0
47 0 2 2 18.215 36.431 0.203 17.75 4 49.3 9.5
48 3 7 -1 18.336 36.673 0.204 17.49 4 9.9 0.4
49 2 4 -2 18.505 37.009 0.206 17.14 4 36.8 5.1
50 3 7 0 18.513 37.026 0.206 17.13 4 37.6 5.3
51 4 2 -1 18.666 37.333 0.208 16.82 4 61.8 14.1
52 0 10 1 18.775 37.55 0.209 16.6 4 147.2 79.2
53 1 11 0 18.776 37.553 0.209 16.6 4 32.0 3.7
54 1 9 1 18.789 37.578 0.209 16.58 4 32.3 3.8
55 1 5 -2 18.848 37.696 0.21 16.46 4 37.5 5.1
56 3 1 -2 19.0 38.0 0.211 16.17 4 28.2 2.8
57 0 4 2 19.122 38.244 0.213 15.95 4 28.5 2.9
58 2 10 0 19.126 38.253 0.213 15.94 4 1.4 0.0
59 4 0 0 19.331 38.663 0.215 15.57 2 2.2 0.0
60 3 1 1 19.511 39.022 0.217 15.25 4 29.7 3.0
61 4 4 -1 19.555 39.11 0.217 15.18 4 39.8 5.3
62 3 3 -2 19.588 39.176 0.218 15.12 4 30.4 3.1
63 4 2 0 19.623 39.246 0.218 15.06 4 42.0 5.8
64 2 10 -1 19.733 39.466 0.219 14.87 4 192.7 121.6
65 0 12 0 19.836 39.672 0.22 14.7 2 17.2 0.5
66 2 6 -2 19.977 39.955 0.222 14.47 4 39.1 4.9
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 2 0 3.242 6.484 13.62 563.6 67.8 68.0 5.5
2 1 1 0 5.017 10.034 8.80768 830.9 100.0 100.0 5.6
3 0 4 0 6.495 12.989 6.81 60.4 7.3 7.3 5.6
4 1 3 0 6.806 13.613 6.49952 101.2 12.2 12.2 5.6
5 1 1 -1 8.682 17.363 5.10309 11.2 1.3 1.3 5.6
6 0 2 1 9.427 18.854 4.70288 334.1 40.2 40.0 5.6
7 0 6 0 9.768 19.537 4.54 277.0 33.3 33.1 5.6
8 1 3 -1 9.836 19.672 4.50919 51.0 6.1 6.1 5.6
9 2 2 0 10.073 20.147 4.40384 108.4 13.1 13.0 5.6
10 0 4 1 11.002 22.004 4.03613 159.8 19.2 19.1 5.6
11 2 2 -1 11.126 22.252 3.99175 27.7 3.3 3.3 5.6
12 1 1 1 11.503 23.006 3.86254 8.8 1.1 1.1 5.6
13 2 4 0 11.565 23.129 3.84232 28.8 3.5 3.4 5.6
14 1 3 1 12.408 24.815 3.58496 205.9 24.8 24.5 5.6
15 2 4 -1 12.498 24.996 3.5594 395.0 47.5 47.1 5.6
16 2 6 0 13.711 27.422 3.24976 142.5 17.2 17.0 5.6
17 1 7 -1 14.319 28.638 3.11454 13.4 1.6 1.6 5.6
18 3 1 0 14.47 28.941 3.08262 564.2 67.9 67.0 5.6
19 2 6 -1 14.516 29.032 3.07315 207.0 24.9 24.6 5.6
20 3 3 -1 15.0 30.0 2.97616 131.5 15.8 15.6 5.6
21 3 3 0 15.211 30.421 2.93589 107.9 13.0 12.8 5.6
22 0 8 1 15.873 31.746 2.81635 36.1 4.3 4.3 5.6
23 1 7 1 16.234 32.467 2.75537 9.4 1.1 1.1 5.6
24 2 4 1 16.515 33.029 2.70978 101.7 12.2 12.0 5.6
25 3 5 0 16.601 33.203 2.69602 129.0 15.5 15.3 5.6
26 2 8 -1 16.973 33.945 2.63872 552.5 66.5 65.4 5.7
27 1 9 -1 17.13 34.26 2.6152 267.7 32.2 31.7 5.7
28 2 0 -2 17.25 34.5 2.59753 43.0 5.2 5.1 5.7
29 2 2 -2 17.571 35.142 2.55154 14.7 1.8 1.7 5.7
30 1 3 -2 17.614 35.229 2.54545 11.2 1.3 1.3 5.7
31 0 0 2 17.904 35.809 2.50554 422.1 50.8 49.9 5.7
32 2 6 1 18.127 36.253 2.47583 67.0 8.1 7.9 5.7
33 0 2 2 18.215 36.431 2.46419 9.5 1.1 1.1 5.7
34 3 7 0 18.513 37.026 2.4259 10.4 1.3 1.2 5.7
35 4 2 -1 18.666 37.333 2.40669 14.1 1.7 1.7 5.7
36 0 10 1 18.775 37.55 2.39326 86.8 10.4 10.2 5.7
37 2 10 -1 19.733 39.466 2.28137 121.6 14.6 14.3 5.7
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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