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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LAACHITE
1, DN
(Ca,Mn)(2)Zr(2)Nb(2)TiFeO(14)
Monoclinic C 2/c Z = 4
C2/c
19 .8 .16
Ref.Str.:
Chukanov N.V., Krivovichev S.V., Pakhomova A.S.,Pekov I.V., Schafer C.,
Vigasina M.F., Van K.V. (2011) * Eur. J. Mineral., 26, 103-111
L: $Nb1.54 Ti1.3 Al0.16 Ca0.6 Mn1.18 Ce0.3 La0.1 Nd0.1 Th0.28 Y0.2
Zr1.56 Fe0.68 O14$
R: Locality - Laach Lake volcano, Eifel region, Germany.
See U(ij) at the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.3119 alpha = 90.0
b = 14.179 beta = 90.07
c = 10.17 gamma = 90.0
Unit cell volume (cub. angs.) = 1054.38
Molar volume ( cub.cm/mol.) = 158.77
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.3831 0.25 0.0 Nb = 0.44, Ti = 0.4 , Al = 0.16
2 0.75 0.75 0.0 0.0 Nb = 0.82, Ti = 0.12
3 0.0 0.8822 0.25 0.0 Ti = 0.72, Nb = 0.28
4 0.5 0.6316 0.25 0.0 Ca = 0.28, Mn = 0.26, Ce = 0.46
5 0.0 0.6325 0.25 0.0 Ca = 0.32, Mn = 0.28, Ce = 0.4
6 0.7502 0.483 0.0139 0.0 Zr = 0.78, Mn = 0.22
7 0.7008 0.2439 0.991 0.0 Fe = 0.34, Mn = 0.1 , Y = 0.06
8 0.7475 0.6208 0.0891 0.0 O = 1.00
9 0.9602 0.9826 0.1212 0.0 O = 1.00
10 0.036 0.4812 0.1195 0.0 O = 1.00
11 0.7479 0.1395 0.1016 0.0 O = 1.00
12 0.9432 0.7815 0.1271 0.0 O = 1.00
13 0.0588 0.2828 0.1253 0.0 O = 1.00
14 0.7507 0.3871 0.178 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.3831 0.25
2 2 0.75 0.75 0.0
3 3 0.0 0.8822 0.25
4 4 0.5 0.6316 0.25
5 5 0.0 0.6325 0.25
6 6 0.7502 0.483 0.0139
7 7 0.7008 0.2439 0.991
8 8 0.7475 0.6208 0.0891
9 9 0.9602 0.9826 0.1212
10 10 0.036 0.4812 0.1195
11 11 0.7479 0.1395 0.1016
12 12 0.9432 0.7815 0.1271
13 13 0.0588 0.2828 0.1253
14 14 0.7507 0.3871 0.178
15 1 0.0 0.6169 0.75
16 2 0.25 0.25 0.0
17 3 0.0 0.1178 0.75
18 4 0.5 0.3684 0.75
19 5 0.0 0.3675 0.75
20 6 0.2498 0.517 0.9861
21 7 0.2992 0.7561 0.009
22 8 0.2525 0.3792 0.911
23 9 0.0398 0.0174 0.8788
24 10 0.964 0.5188 0.8805
25 11 0.2521 0.8605 0.8984
26 12 0.0568 0.2185 0.8729
27 13 0.9412 0.7172 0.8747
28 14 0.2493 0.6129 0.822
29 2 0.75 0.25 0.5
30 6 0.7502 0.517 0.5139
31 7 0.7008 0.7561 0.491
32 8 0.7475 0.3792 0.589
33 9 0.9602 0.0174 0.6212
34 10 0.036 0.5188 0.6195
35 11 0.7479 0.8605 0.6016
36 12 0.9432 0.2185 0.6271
37 13 0.0588 0.7172 0.6253
38 14 0.7507 0.6129 0.678
39 2 0.25 0.75 0.5
40 6 0.2498 0.483 0.4861
41 7 0.2992 0.2439 0.509
42 8 0.2525 0.6208 0.4109
43 9 0.0398 0.9826 0.3788
44 10 0.964 0.4812 0.3805
45 11 0.2521 0.1395 0.3984
46 12 0.0568 0.7815 0.3729
47 13 0.9412 0.2828 0.3747
48 14 0.2493 0.3871 0.3219
49 1 0.5 0.1169 0.75
50 3 0.5 0.6178 0.75
51 4 0.0 0.8684 0.75
52 5 0.5 0.8675 0.75
53 6 0.2502 0.017 0.5139
54 7 0.2008 0.2561 0.491
55 8 0.2475 0.8792 0.589
56 9 0.4602 0.5174 0.6212
57 10 0.536 0.0188 0.6195
58 11 0.2479 0.3605 0.6016
59 12 0.4432 0.7185 0.6271
60 13 0.5588 0.2172 0.6253
61 14 0.2507 0.1129 0.678
62 1 0.5 0.8831 0.25
63 3 0.5 0.3822 0.25
64 4 0.0 0.1316 0.25
65 5 0.5 0.1325 0.25
66 6 0.7498 0.983 0.4861
67 7 0.7992 0.7439 0.509
68 8 0.7525 0.1208 0.4109
69 9 0.5398 0.4826 0.3788
70 10 0.464 0.9812 0.3805
71 11 0.7521 0.6395 0.3984
72 12 0.5568 0.2815 0.3729
73 13 0.4412 0.7828 0.3747
74 14 0.7493 0.8871 0.3219
75 6 0.2502 0.983 0.0139
76 7 0.2008 0.7439 0.991
77 8 0.2475 0.1208 0.0891
78 9 0.4602 0.4826 0.1212
79 10 0.536 0.9812 0.1195
80 11 0.2479 0.6395 0.1016
81 12 0.4432 0.2815 0.1271
82 13 0.5588 0.7828 0.1253
83 14 0.2507 0.8871 0.1781
84 6 0.7498 0.017 0.9861
85 7 0.7992 0.2561 0.009
86 8 0.7525 0.8792 0.9109
87 9 0.5398 0.5174 0.8788
88 10 0.464 0.0188 0.8805
89 11 0.7521 0.3605 0.8984
90 12 0.5568 0.7185 0.8729
91 13 0.4412 0.2172 0.8747
92 14 0.7493 0.1129 0.8219
X-ray density (g/cm cub.) = 5.23
MU (1/cm) = 975.035 Mass attenuation coefficient (cm**2/g) = 186.293
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Nb ,Ti ,Al 2.568 6
1.9404 10
1.954 13
1.9643 14
1.9404 10
1.954 13
1.9643 14
2 Nb ,Ti 2.568 6
2.0443 8
1.9655 12
1.9492 13
1.9492 13
2.0443 8
1.9655 12
3 Ti ,Nb 2.568 6
1.9554 9
1.9418 12
1.9554 9
1.9418 12
1.9757 14
1.9757 14
4 Ca ,Mn ,Ce 2.88 8
2.4466 8
2.4466 8
2.5025 9
2.3832 11
2.5284 13
2.5025 9
2.3832 11
2.5284 13
5 Ca ,Mn ,Ce 2.88 8
2.4713 8
2.5368 10
2.4898 12
2.4713 8
2.5368 10
2.4898 12
2.3619 11
2.3619 11
6 Zr ,Mn 2.724 7
2.0969 8
2.3483 10
2.153 14
2.1323 10
2.3857 9
2.1184 9
2.0973 11
7 Fe ,Mn ,Y 2.796 5
1.8912 11
2.3992 12
1.9401 11
2.2669 13
2.5564 14
8 O 3.264 9
2.9086 10
2.7193 12
3.0166 10
2.9387 13
3.1569 11
2.8914 9
2.7058 13
3.0029 9
2.9479 12
9 O 3.264 9
2.72 11
2.8536 12
2.5812 9
2.6831 9
2.8958 14
2.8914 8
3.102 10
2.5831 14
3.0029 8
10 O 3.264 9
2.9086 8
2.8184 13
2.5472 14
3.0166 8
2.5424 10
2.7073 10
2.9057 14
3.102 9
2.7334 11
11 O 3.264 6
2.72 9
3.0584 13
3.1569 8
2.7334 10
3.015 12
2.8695 14
12 O 3.264 9
2.7193 8
2.8536 9
2.7247 13
2.6324 12
2.8607 14
3.015 11
2.811 13
2.7497 14
2.9479 8
13 O 3.264 9
2.8184 10
3.0584 11
2.7486 14
2.9387 8
2.7247 12
2.6791 13
2.85 14
2.7058 8
2.811 12
14 O 3.264 9
2.5472 10
2.7486 13
2.9057 10
2.85 13
2.8958 9
2.8607 12
2.5831 9
2.7497 12
2.8695 11
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 7.248 14.496 0.071 122.69 2 33.9 25.3
2 1 1 0 7.911 15.822 0.077 102.63 4 1.2 0.1
3 0 2 1 8.847 17.694 0.086 81.62 4 27.6 22.4
4 1 1 -1 9.396 18.792 0.091 72.11 4 11.3 3.3
5 1 1 1 9.406 18.811 0.091 71.96 4 33.2 28.6
6 0 0 2 10.131 20.262 0.098 61.72 2 30.2 10.1
7 0 2 2 12.502 25.004 0.121 39.81 4 30.1 13.0
8 1 1 -2 12.899 25.798 0.125 37.28 4 42.8 24.6
9 1 1 2 12.913 25.826 0.125 37.19 4 49.7 33.0
10 1 3 0 13.023 26.046 0.126 36.53 4 1.8 0.0
11 1 3 -1 13.995 27.991 0.135 31.36 4 151.3 258.5
12 1 3 1 14.002 28.004 0.135 31.33 4 125.3 176.9
13 2 0 0 14.162 28.323 0.137 30.58 2 9.1 0.5
14 0 4 0 14.616 29.231 0.141 28.59 2 22.4 2.6
15 0 4 1 15.499 30.998 0.149 25.21 4 88.2 70.6
16 2 2 0 15.978 31.957 0.154 23.61 4 31.1 8.2
17 1 3 -2 16.605 33.21 0.16 21.72 4 33.5 8.8
18 1 3 2 16.617 33.233 0.16 21.69 4 24.2 4.6
19 2 2 -1 16.792 33.583 0.161 21.2 4 18.9 2.7
20 2 2 1 16.803 33.605 0.162 21.17 4 30.9 7.3
21 0 2 3 17.006 34.011 0.163 20.63 4 18.7 2.6
22 1 1 -3 17.305 34.61 0.166 19.86 4 28.2 5.7
23 1 1 3 17.321 34.643 0.166 19.82 4 22.5 3.6
24 2 0 -2 17.527 35.053 0.168 19.31 2 860.4 2571.8
25 2 0 2 17.548 35.097 0.169 19.26 2 850.5 2506.4
26 0 4 2 17.914 35.829 0.172 18.41 4 835.0 4618.3
27 2 2 -2 19.057 38.114 0.183 16.07 4 20.9 2.5
28 2 2 2 19.077 38.154 0.183 16.03 4 26.3 4.0
29 1 5 0 19.774 39.548 0.189 14.81 4 5.8 0.2
30 1 3 -3 20.296 40.592 0.194 13.97 4 33.7 5.7
31 1 3 3 20.31 40.62 0.194 13.95 4 63.8 20.4
32 1 5 -1 20.458 40.915 0.195 13.73 4 38.1 7.2
33 1 5 1 20.462 40.925 0.195 13.72 4 46.4 10.6
34 2 4 0 20.577 41.154 0.196 13.55 4 542.5 1434.8
35 0 0 4 20.598 41.195 0.197 13.52 2 563.0 770.9
36 2 4 -1 21.237 42.475 0.202 12.62 4 30.3 4.2
37 2 4 1 21.246 42.493 0.203 12.61 4 42.8 8.3
38 0 4 3 21.413 42.826 0.204 12.39 4 58.3 15.2
39 3 1 0 21.862 43.724 0.208 11.83 4 2.2 0.0
40 0 2 4 21.947 43.893 0.209 11.73 4 10.0 0.4
41 1 1 -4 22.187 44.373 0.211 11.44 4 52.3 11.3
42 1 1 4 22.204 44.409 0.211 11.42 4 52.8 11.5
43 0 6 0 22.241 44.482 0.212 11.38 2 34.1 2.4
44 2 2 -3 22.401 44.803 0.213 11.2 4 175.3 123.8
45 1 5 -2 22.41 44.82 0.213 11.19 4 62.9 15.9
46 1 5 2 22.419 44.838 0.213 11.18 4 50.1 10.1
47 2 2 3 22.428 44.856 0.213 11.17 4 169.3 115.2
48 3 1 -1 22.489 44.979 0.214 11.1 4 29.3 3.4
49 3 1 1 22.502 45.005 0.214 11.08 4 36.5 5.3
50 0 6 1 22.866 45.733 0.217 10.69 4 177.7 121.5
51 2 4 -2 23.135 46.269 0.22 10.41 4 9.7 0.4
52 2 4 2 23.152 46.303 0.22 10.39 4 28.3 3.0
53 3 1 -2 24.307 48.615 0.23 9.31 4 130.7 57.2
54 3 1 2 24.332 48.664 0.23 9.28 4 133.2 59.3
55 3 3 0 24.388 48.776 0.231 9.24 4 10.9 0.4
56 0 6 2 24.669 49.338 0.233 9.0 4 6.2 0.1
57 1 3 -4 24.687 49.374 0.233 8.98 4 85.5 23.6
58 1 3 4 24.703 49.406 0.234 8.97 4 86.6 24.2
59 3 3 -1 24.966 49.932 0.236 8.76 4 88.5 24.7
60 3 3 1 24.978 49.956 0.236 8.75 4 120.8 45.9
61 2 0 -4 25.357 50.714 0.239 8.45 2 61.7 5.8
62 2 0 4 25.389 50.779 0.24 8.43 2 48.1 3.5
63 1 5 -3 25.4 50.801 0.24 8.42 4 125.2 47.5
64 1 5 3 25.412 50.825 0.24 8.41 4 104.0 32.7
65 0 4 4 25.654 51.309 0.242 8.23 4 66.9 13.3
66 2 4 -3 26.059 52.119 0.246 7.94 4 109.3 34.2
67 2 4 3 26.083 52.166 0.246 7.93 4 94.8 25.7
68 2 2 -4 26.517 53.033 0.25 7.63 4 39.7 4.3
69 2 2 4 26.548 53.095 0.25 7.61 4 58.4 9.4
70 3 3 -2 26.656 53.313 0.251 7.54 4 41.3 4.6
71 3 3 2 26.679 53.359 0.251 7.53 4 32.0 2.8
72 2 6 0 26.788 53.576 0.252 7.46 4 43.4 5.1
73 3 1 -3 27.136 54.273 0.255 7.24 4 100.7 26.4
74 3 1 3 27.171 54.341 0.255 7.22 4 138.1 49.5
75 0 2 5 27.226 54.451 0.256 7.19 4 105.3 28.7
76 1 7 0 27.272 54.544 0.256 7.16 4 11.6 0.3
77 2 6 -1 27.331 54.662 0.257 7.13 4 112.5 32.5
78 2 6 1 27.339 54.677 0.257 7.12 4 96.8 24.0
79 1 1 -5 27.429 54.857 0.257 7.07 4 36.4 3.4
80 1 1 5 27.448 54.895 0.258 7.06 4 3.7 0.0
81 0 6 3 27.477 54.954 0.258 7.04 4 136.0 46.9
82 1 7 -1 27.811 55.621 0.261 6.85 4 161.7 64.5
83 1 7 1 27.814 55.629 0.261 6.85 4 187.4 86.5
84 2 6 -2 28.927 57.853 0.27 6.27 4 18.9 0.8
85 3 5 0 28.941 57.882 0.271 6.26 4 12.4 0.3
86 2 6 2 28.941 57.882 0.271 6.26 4 27.3 1.7
87 1 5 -4 29.207 58.414 0.273 6.13 4 74.2 12.1
88 1 5 4 29.221 58.443 0.273 6.12 4 83.2 15.2
89 4 0 0 29.296 58.591 0.274 6.09 2 846.8 785.5
90 3 3 -3 29.325 58.65 0.274 6.08 4 114.8 28.8
91 3 3 3 29.358 58.716 0.274 6.06 4 114.7 28.7
92 1 7 -2 29.391 58.781 0.274 6.05 4 30.6 2.0
93 1 7 2 29.398 58.796 0.274 6.04 4 26.6 1.5
94 3 5 -1 29.456 58.912 0.275 6.02 4 81.3 14.3
95 3 5 1 29.467 58.934 0.275 6.01 4 64.5 9.0
96 1 3 -5 29.603 59.207 0.276 5.95 4 116.7 29.2
97 1 3 5 29.621 59.243 0.276 5.94 4 110.1 25.9
98 2 4 -4 29.806 59.613 0.278 5.86 4 842.6 1496.3
99 2 4 4 29.835 59.67 0.278 5.85 4 822.0 1421.1
100 0 8 0 30.309 60.619 0.282 5.64 2 761.1 588.1
101 4 2 0 30.353 60.705 0.282 5.62 4 102.5 21.3
102 0 4 5 30.465 60.929 0.283 5.58 4 106.8 22.9
103 3 1 -4 30.794 61.589 0.286 5.45 4 51.5 5.2
104 0 8 1 30.815 61.631 0.286 5.44 4 153.2 45.9
105 3 1 4 30.837 61.673 0.287 5.43 4 60.2 7.1
106 4 2 -1 30.851 61.703 0.287 5.42 4 62.0 7.5
107 4 2 1 30.865 61.731 0.287 5.42 4 43.0 3.6
108 3 5 -2 30.979 61.959 0.288 5.38 4 69.8 9.4
109 3 5 2 31.001 62.001 0.288 5.37 4 92.6 16.6
110 0 6 4 31.114 62.229 0.289 5.32 4 41.6 3.3
111 2 2 -5 31.235 62.47 0.29 5.28 4 65.3 8.1
112 2 2 5 31.27 62.539 0.29 5.27 4 70.0 9.3
113 4 0 -2 31.317 62.633 0.291 5.25 2 21.7 0.4
114 4 0 2 31.344 62.689 0.291 5.24 2 27.8 0.7
115 2 6 -3 31.472 62.945 0.292 5.19 4 83.9 13.1
116 2 6 3 31.493 62.987 0.292 5.18 4 104.0 20.2
117 0 0 6 31.851 63.701 0.295 5.06 2 46.1 1.9
118 1 7 -3 31.916 63.832 0.296 5.03 4 209.9 79.8
119 1 7 3 31.926 63.853 0.296 5.03 4 185.8 62.5
120 0 8 2 32.306 64.612 0.299 4.9 4 22.3 0.9
121 4 2 -2 32.334 64.669 0.299 4.89 4 62.4 6.9
122 4 2 2 32.362 64.724 0.299 4.89 4 80.4 11.4
123 3 3 -4 32.831 65.662 0.303 4.74 4 89.5 13.6
124 0 2 6 32.859 65.719 0.303 4.73 4 0.0 0.0
125 3 3 4 32.872 65.743 0.303 4.72 4 78.6 10.5
126 1 1 -6 33.039 66.078 0.305 4.67 4 137.0 31.6
127 1 1 6 33.059 66.119 0.305 4.67 4 134.9 30.6
128 4 4 0 33.405 66.809 0.308 4.56 4 91.5 13.8
129 3 5 -3 33.432 66.864 0.308 4.56 4 27.6 1.2
130 3 5 3 33.462 66.925 0.308 4.55 4 20.8 0.7
131 1 5 -5 33.691 67.381 0.31 4.48 4 74.7 9.0
132 1 5 5 33.707 67.415 0.31 4.48 4 70.9 8.1
133 4 4 -1 33.878 67.757 0.312 4.43 4 99.5 15.8
134 4 4 1 33.892 67.784 0.312 4.43 4 78.5 9.8
135 2 8 0 34.114 68.229 0.314 4.37 4 9.6 0.1
136 2 4 -5 34.244 68.487 0.315 4.33 4 41.3 2.7
137 2 4 5 34.277 68.554 0.315 4.33 4 54.4 4.6
138 2 8 -1 34.587 69.173 0.317 4.25 4 120.7 22.3
139 2 8 1 34.593 69.187 0.317 4.24 4 99.4 15.1
140 0 8 3 34.714 69.428 0.318 4.21 4 139.5 29.5
141 4 2 -3 34.735 69.469 0.319 4.21 4 4.4 0.0
142 4 2 3 34.774 69.548 0.319 4.2 4 12.1 0.2
143 2 6 -4 34.858 69.717 0.319 4.18 4 3.6 0.0
144 2 6 4 34.885 69.77 0.32 4.17 4 13.4 0.3
145 1 3 -6 35.006 70.012 0.321 4.14 4 74.0 8.2
146 1 3 6 35.026 70.052 0.321 4.14 4 65.6 6.4
147 3 7 0 35.042 70.084 0.321 4.13 4 10.6 0.2
148 3 1 -5 35.161 70.323 0.322 4.11 4 58.1 5.0
149 3 1 5 35.211 70.421 0.322 4.09 4 70.7 7.4
150 1 7 -4 35.282 70.563 0.323 4.08 4 39.3 2.3
151 4 4 -2 35.295 70.589 0.323 4.08 4 618.4 560.8
152 1 7 4 35.295 70.59 0.323 4.08 4 24.0 0.8
153 4 4 2 35.321 70.642 0.323 4.07 4 603.0 532.4
154 0 6 5 35.465 70.931 0.324 4.04 4 67.6 6.6
155 1 9 0 35.505 71.011 0.325 4.03 4 4.0 0.0
156 3 7 -1 35.507 71.014 0.325 4.03 4 209.6 63.6
157 3 7 1 35.517 71.034 0.325 4.02 4 195.1 55.1
158 2 0 -6 35.548 71.096 0.325 4.02 2 635.9 292.3
159 2 0 6 35.587 71.174 0.325 4.01 2 608.9 267.4
160 0 4 6 35.798 71.596 0.327 3.96 4 646.5 596.0
161 1 9 -1 35.971 71.942 0.328 3.93 4 131.2 24.3
162 1 9 1 35.974 71.949 0.328 3.92 4 124.9 22.0
163 2 8 -2 35.993 71.987 0.329 3.92 4 582.1 478.0
164 2 8 2 36.006 72.013 0.329 3.92 4 570.3 458.5
165 2 2 -6 36.507 73.013 0.333 3.82 4 14.3 0.3
166 2 2 6 36.545 73.091 0.333 3.81 4 43.3 2.6
167 3 5 -4 36.727 73.454 0.334 3.77 4 62.0 5.2
168 3 5 4 36.766 73.532 0.335 3.76 4 83.0 9.3
169 3 7 -2 36.897 73.794 0.336 3.74 4 8.3 0.1
170 3 7 2 36.916 73.833 0.336 3.74 4 26.1 0.9
171 4 0 -4 37.035 74.07 0.337 3.71 2 537.3 192.8
172 3 3 -5 37.077 74.154 0.337 3.71 4 127.8 21.8
173 4 0 4 37.086 74.173 0.337 3.7 2 509.4 172.9
174 3 3 5 37.125 74.251 0.337 3.7 4 174.7 40.6
175 1 9 -2 37.358 74.715 0.339 3.65 4 32.0 1.3
176 1 9 2 37.364 74.728 0.339 3.65 4 47.4 3.0
177 4 4 -3 37.607 75.214 0.341 3.61 4 18.2 0.4
178 4 4 3 37.646 75.291 0.341 3.6 4 35.6 1.6
179 5 1 0 37.944 75.888 0.344 3.55 4 6.4 0.1
180 0 8 4 37.966 75.931 0.344 3.55 4 492.9 310.2
181 4 2 -4 37.979 75.958 0.344 3.55 4 16.6 0.4
182 4 2 4 38.03 76.06 0.344 3.54 4 44.5 2.5
183 4 6 0 38.216 76.431 0.346 3.51 4 67.1 5.7
184 2 8 -3 38.293 76.586 0.346 3.5 4 79.7 8.0
185 2 8 3 38.312 76.624 0.347 3.49 4 102.3 13.1
186 5 1 -1 38.392 76.784 0.347 3.48 4 91.4 10.5
187 5 1 1 38.408 76.816 0.347 3.48 4 113.4 16.1
188 4 6 -1 38.664 77.329 0.349 3.44 4 74.0 6.8
189 4 6 1 38.677 77.354 0.349 3.44 4 99.1 12.1
190 1 5 -6 38.808 77.615 0.35 3.42 4 97.8 11.8
191 1 5 6 38.827 77.653 0.35 3.41 4 99.5 12.2
192 0 2 7 38.936 77.872 0.351 3.4 4 125.0 19.1
193 2 6 -5 39.011 78.022 0.352 3.39 4 57.4 4.0
194 2 6 5 39.043 78.086 0.352 3.38 4 79.4 7.7
195 1 1 -7 39.102 78.204 0.353 3.37 4 25.6 0.8
196 0 10 0 39.112 78.223 0.353 3.37 2 27.0 0.4
197 1 1 7 39.124 78.248 0.353 3.37 4 21.8 0.6
198 3 7 -3 39.176 78.352 0.353 3.36 4 162.5 32.0
199 3 7 3 39.205 78.409 0.353 3.36 4 210.2 53.4
200 2 4 -6 39.33 78.659 0.354 3.34 4 10.8 0.1
201 2 4 6 39.368 78.735 0.355 3.34 4 10.0 0.1
202 1 7 -5 39.419 78.838 0.355 3.33 4 93.2 10.4
203 1 7 5 39.435 78.87 0.355 3.33 4 131.0 20.6
204 0 10 1 39.564 79.127 0.356 3.31 4 28.2 0.9
205 1 9 -3 39.631 79.262 0.357 3.3 4 103.8 12.8
206 1 9 3 39.641 79.281 0.357 3.3 4 103.1 12.6
207 5 1 -2 39.743 79.486 0.357 3.29 4 15.4 0.3
208 5 1 2 39.775 79.549 0.358 3.28 4 8.9 0.1
209 5 3 0 39.811 79.622 0.358 3.28 4 1.7 0.0
210 4 6 -2 40.014 80.028 0.359 3.25 4 26.0 0.8
211 4 6 2 40.039 80.079 0.36 3.25 4 41.8 2.0
212 3 1 -6 40.202 80.404 0.361 3.23 4 56.4 3.7
213 5 3 -1 40.253 80.506 0.361 3.22 4 174.0 35.1
214 3 1 6 40.258 80.517 0.361 3.22 4 66.0 5.1
215 5 3 1 40.269 80.537 0.361 3.22 4 155.5 28.0
216 0 6 6 40.497 80.995 0.363 3.19 4 57.9 3.8
217 4 4 -4 40.77 81.54 0.365 3.16 4 15.3 0.3
218 3 5 -5 40.811 81.622 0.365 3.16 4 17.7 0.4
219 4 4 4 40.82 81.64 0.365 3.16 4 50.2 2.9
220 3 5 5 40.858 81.716 0.366 3.15 4 19.0 0.4
221 0 10 2 40.912 81.824 0.366 3.15 4 57.4 3.7
222 1 3 -7 40.954 81.909 0.366 3.14 4 82.7 7.7
223 1 3 7 40.976 81.952 0.367 3.14 4 117.7 15.7
224 2 8 -4 41.444 82.888 0.37 3.09 4 46.8 2.4
225 2 8 4 41.469 82.938 0.37 3.09 4 60.0 4.0
226 5 3 -2 41.589 83.177 0.371 3.08 4 14.7 0.2
227 5 3 2 41.62 83.239 0.371 3.07 4 1.7 0.0
228 0 4 7 41.71 83.42 0.372 3.07 4 10.9 0.1
229 5 1 -3 41.975 83.95 0.374 3.04 4 47.8 2.5
230 0 8 5 42.019 84.039 0.374 3.04 4 32.9 1.2
231 5 1 3 42.022 84.044 0.374 3.04 4 51.6 2.9
232 4 2 -5 42.026 84.053 0.374 3.04 4 65.6 4.7
233 3 3 -6 42.043 84.086 0.374 3.03 4 63.6 4.4
234 4 2 5 42.089 84.177 0.375 3.03 4 63.5 4.4
235 3 3 6 42.099 84.198 0.375 3.03 4 57.6 3.6
236 4 6 -3 42.245 84.49 0.376 3.02 4 31.9 1.1
237 4 6 3 42.282 84.564 0.376 3.01 4 62.0 4.2
238 3 7 -4 42.31 84.62 0.376 3.01 4 45.9 2.3
239 3 7 4 42.347 84.695 0.377 3.01 4 28.5 0.9
240 2 2 -7 42.385 84.771 0.377 3.0 4 56.3 3.4
241 2 2 7 42.429 84.858 0.377 3.0 4 60.5 3.9
242 3 9 0 42.534 85.069 0.378 2.99 4 18.0 0.3
243 2 10 0 42.58 85.16 0.378 2.99 4 62.9 4.2
244 1 9 -4 42.761 85.522 0.38 2.97 4 23.0 0.6
245 1 9 4 42.774 85.547 0.38 2.97 4 40.2 1.7
246 3 9 -1 42.974 85.949 0.381 2.96 4 112.7 13.5
247 3 9 1 42.984 85.967 0.381 2.96 4 114.9 14.0
248 2 10 -1 43.021 86.042 0.381 2.95 4 10.2 0.1
249 2 10 1 43.027 86.055 0.381 2.95 4 19.7 0.4
250 0 10 3 43.141 86.281 0.382 2.94 4 115.7 14.2
251 5 5 0 43.487 86.973 0.385 2.92 4 13.2 0.2
252 5 3 -3 43.805 87.609 0.387 2.9 4 77.4 6.2
253 5 3 3 43.851 87.702 0.387 2.89 4 112.8 13.2
254 5 5 -1 43.923 87.845 0.388 2.89 4 43.8 2.0
255 2 6 -6 43.927 87.853 0.388 2.89 4 21.7 0.5
256 5 5 1 43.938 87.876 0.388 2.89 4 42.1 1.8
257 2 6 6 43.964 87.928 0.388 2.89 4 1.8 0.0
258 3 9 -2 44.301 88.602 0.39 2.87 4 101.4 10.6
259 3 9 2 44.32 88.639 0.391 2.87 4 132.4 18.1
260 1 7 -6 44.328 88.656 0.391 2.86 4 64.7 4.3
261 1 7 6 44.347 88.693 0.391 2.86 4 63.7 4.2
262 2 10 -2 44.349 88.698 0.391 2.86 4 82.2 7.0
263 2 10 2 44.362 88.723 0.391 2.86 4 75.8 5.9
264 1 5 -7 44.616 89.232 0.393 2.85 4 33.0 1.1
265 1 5 7 44.638 89.275 0.393 2.85 4 12.1 0.2
266 4 8 0 44.663 89.326 0.393 2.85 4 573.8 337.1
267 0 0 8 44.717 89.434 0.393 2.84 2 645.9 213.4
268 4 4 -5 44.768 89.536 0.394 2.84 4 79.7 6.5
269 1 11 0 44.799 89.597 0.394 2.84 4 2.2 0.0
270 4 4 5 44.83 89.66 0.394 2.84 4 66.3 4.5
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 1 1 2 12.913 25.826 4.00257 57.6 1.1 1.1 5.6
2 1 3 -1 13.995 27.991 3.6985 435.4 8.6 8.6 5.6
3 0 4 1 15.499 30.998 3.34725 70.6 1.4 1.4 5.6
4 2 0 -2 17.527 35.053 2.97015 5078.2 100.0 100.0 5.7
5 0 4 2 17.914 35.829 2.90793 4618.3 90.9 90.9 5.7
6 2 4 0 20.577 41.154 2.54492 2205.7 43.4 43.2 5.7
7 2 2 -3 22.401 44.803 2.34709 265.0 5.2 5.2 5.7
8 0 6 1 22.866 45.733 2.30184 121.5 2.4 2.4 5.7
9 3 1 2 24.332 48.664 2.17089 116.4 2.3 2.3 5.7
10 3 3 1 24.978 49.956 2.11821 70.6 1.4 1.4 5.7
11 1 5 3 25.412 50.825 2.08436 83.7 1.6 1.6 5.8
12 2 4 -3 26.059 52.119 2.03609 59.8 1.2 1.2 5.8
13 2 6 -1 27.331 54.662 1.94816 56.5 1.1 1.1 5.8
14 1 7 1 27.814 55.629 1.91694 151.0 3.0 2.9 5.8
15 4 0 0 29.296 58.591 1.82797 785.5 15.5 15.1 5.8
16 1 3 -5 29.603 59.207 1.81067 55.1 1.1 1.1 5.8
17 2 4 -4 29.806 59.613 1.79946 2917.4 57.4 55.8 5.8
18 0 8 0 30.309 60.619 1.77238 588.1 11.6 11.2 5.8
19 0 8 1 30.815 61.631 1.74606 51.1 1.0 1.0 5.8
20 1 7 -3 31.916 63.832 1.69189 142.4 2.8 2.7 5.9
21 1 1 -6 33.039 66.078 1.64058 62.1 1.2 1.2 5.9
22 4 4 -2 35.295 70.589 1.5481 1096.3 21.6 20.6 5.9
23 3 7 -1 35.507 71.014 1.54004 118.8 2.3 2.2 5.9
24 2 0 -6 35.548 71.096 1.5385 292.3 5.8 5.5 5.9
25 2 0 6 35.587 71.174 1.53703 267.4 5.3 5.0 5.9
26 0 4 6 35.798 71.596 1.52917 596.0 11.7 11.2 5.9
27 2 8 -2 35.993 71.987 1.52199 982.9 19.4 18.4 5.9
28 4 0 -4 37.035 74.07 1.48507 192.8 3.8 3.6 6.0
29 4 0 4 37.086 74.173 1.48331 194.7 3.8 3.6 6.0
30 0 8 4 37.966 75.931 1.45396 310.6 6.1 5.8 6.0
31 3 7 3 39.205 78.409 1.41508 85.4 1.7 1.6 6.0
32 5 3 -1 40.253 80.506 1.38426 68.2 1.3 1.3 6.1
33 4 8 0 44.663 89.326 1.27246 337.1 6.6 6.1 6.2
34 0 0 8 44.717 89.434 1.27125 213.4 4.2 3.8 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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