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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CANCRINITE
17, f-feldspathoid, s-cancrinite, DF, ZL
(Na,Ca)(4)[Si(7)Al(5)O(24)][CO(3)].H(2)O
Hexagonal P 6(3) Z = 1
R =0.0276 NR =1495
17 .3 .25
Ref.Str.:
Zubkova N.V., Chukanov N.V., Pekov I.V., Pushcharovsky D.Yu.,
(2011) * Doklady Earth Sciences, 439, 998–1001
DOI:10.1134/S1028334X11070191
L: $Si6.2 Al5.8 O28.89 Na6.04 Ca1.44 C1.57 H0.36$
R: Locality – Eifel, Rhineland-Palatinate, Germany. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.6093 alpha = 90.0
b = 12.6093 beta = 90.0
c = 5.1221 gamma = 120.0
Unit cell volume (cub. angs.) = 705.28
Molar volume ( cub.cm/mol.) = 424.82
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3277 0.4107 0.75 0.0 Si = 1.00
2 0.0752 0.4129 0.751 0.0 Al = 0.97, Si = 0.03
3 0.2025 0.404 0.6577 0.0 O = 1.00
4 0.1148 0.5643 0.7244 0.0 O = 1.00
5 0.0293 0.3497 0.0598 0.0 O = 1.00
6 0.3137 0.357 0.0434 0.0 O = 1.00
7 0.6667 0.3333 0.1128 0.0 Na = 0.67, Na = 0.0
8 0.6667 0.3333 0.241 0.0 Na = 0.14, Na = 0.0
9 0.6667 0.3333 0.935 0.0 Na = 0.14, Na = 0.0
10 0.1235 0.2494 0.2996 0.0 Na = 0.6 , Ca = 0.21
11 0.1335 0.272 0.247 0.0 Na = 0.09, Ca = 0.03
12 0.0 0.0 0.695 0.0 C = 0.2 , C = 0.0
13 0.0576 0.1199 0.695 0.0 O = 0.2 , O = 0.0
14 0.0 0.0 0.9311 0.0 C = 0.23, C = 0.0
15 0.058 0.1165 0.9311 0.0 O = 0.23, O = 0.0
16 0.0 0.0 0.809 0.0 C = 0.19, C = 0.0
17 0.0584 0.1184 0.809 0.0 O = 0.19, O = 0.0
18 0.0 0.0 0.612 0.0 C = 0.16, C = 0.0
19 0.0569 0.1161 0.612 0.0 O = 0.16, O = 0.0
20 0.611 0.311 0.682 0.0 H(2)O = 0.03, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3277 0.4107 0.75
2 2 0.0752 0.4129 0.751
3 3 0.2025 0.404 0.6577
4 4 0.1148 0.5643 0.7244
5 5 0.0293 0.3497 0.0598
6 6 0.3137 0.357 0.0434
7 7 0.6667 0.3333 0.1128
8 8 0.6667 0.3333 0.241
9 9 0.6667 0.3333 0.935
10 10 0.1235 0.2494 0.2996
11 11 0.1335 0.272 0.247
12 12 0.0 0.0 0.695
13 13 0.0576 0.1199 0.695
14 14 0.0 0.0 0.9311
15 15 0.058 0.1165 0.9311
16 16 0.0 0.0 0.809
17 17 0.0584 0.1184 0.809
18 18 0.0 0.0 0.612
19 19 0.0569 0.1161 0.612
20 20 0.611 0.311 0.682
21 1 0.5893 0.9171 0.75
22 1 0.0829 0.6723 0.75
23 2 0.5871 0.6623 0.751
24 2 0.3377 0.9248 0.751
25 3 0.596 0.7984 0.6577
26 3 0.2016 0.7975 0.6577
27 4 0.4357 0.5505 0.7244
28 4 0.4495 0.8852 0.7244
29 5 0.6503 0.6796 0.0598
30 5 0.3204 0.9707 0.0598
31 6 0.643 0.9567 0.0434
32 6 0.0433 0.6863 0.0434
33 10 0.7506 0.874 0.2996
34 10 0.126 0.8766 0.2996
35 11 0.728 0.8615 0.247
36 11 0.1385 0.8665 0.247
37 13 0.8801 0.9377 0.695
38 13 0.0623 0.9424 0.695
39 15 0.8835 0.9415 0.9311
40 15 0.0585 0.942 0.9311
41 17 0.8816 0.94 0.809
42 17 0.06 0.9416 0.809
43 19 0.8839 0.9408 0.612
44 19 0.0592 0.9431 0.612
45 20 0.689 0.3 0.682
46 20 0.7 0.389 0.682
47 1 0.6723 0.5893 0.25
48 2 0.9248 0.5871 0.251
49 3 0.7975 0.596 0.1577
50 4 0.8852 0.4357 0.2244
51 5 0.9707 0.6503 0.5598
52 6 0.6863 0.643 0.5434
53 7 0.3333 0.6667 0.6128
54 8 0.3333 0.6667 0.741
55 9 0.3333 0.6667 0.435
56 10 0.8765 0.7506 0.7996
57 11 0.8665 0.728 0.747
58 12 0.0 0.0 0.195
59 13 0.9424 0.8801 0.195
60 14 0.0 0.0 0.4311
61 15 0.942 0.8835 0.4311
62 16 0.0 0.0 0.309
63 17 0.9416 0.8816 0.309
64 18 0.0 0.0 0.112
65 19 0.9431 0.8839 0.112
66 20 0.389 0.689 0.182
67 1 0.4107 0.0829 0.25
68 1 0.9171 0.3277 0.25
69 2 0.4129 0.3377 0.251
70 2 0.6623 0.0752 0.251
71 3 0.404 0.2016 0.1577
72 3 0.7984 0.2025 0.1577
73 4 0.5643 0.4495 0.2244
74 4 0.5505 0.1148 0.2244
75 5 0.3497 0.3204 0.5598
76 5 0.6796 0.0293 0.5598
77 6 0.357 0.0433 0.5434
78 6 0.9567 0.3137 0.5434
79 10 0.2494 0.126 0.7996
80 10 0.874 0.1234 0.7996
81 11 0.272 0.1385 0.747
82 11 0.8615 0.1335 0.747
83 13 0.1199 0.0623 0.195
84 13 0.9377 0.0576 0.195
85 15 0.1165 0.0585 0.4311
86 15 0.9415 0.058 0.4311
87 17 0.1184 0.06 0.309
88 17 0.94 0.0584 0.309
89 19 0.1161 0.0592 0.112
90 19 0.9408 0.0569 0.112
91 20 0.311 0.7 0.182
92 20 0.3 0.611 0.182
X-ray density (g/cm cub.) = 2.37
MU (1/cm) = 87.289 Mass attenuation coefficient (cm**2/g) = 36.772
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Si 2.268 4
1.6104 3
1.6212 6
1.6059 4
1.624 5
2 Al ,Si 2.484 4
1.7309 3
1.72 4
1.7349 5
1.749 6
3 O 3.432 10
2.7672 4
2.8251 5
2.6559 6
3.1086 13
3.2137 17
3.1527 19
2.5974 4
2.6017 5
2.7772 6
3.3244 20
4 O 3.432 8
2.7672 3
2.9185 5
2.5974 3
2.69 6
2.676 5
2.9186 6
3.2108 20
3.1493 20
5 O 3.432 11
2.8251 3
2.9185 4
3.2054 15
3.3704 17
2.676 4
2.6019 3
2.6009 6
2.7614 6
3.3353 13
3.2904 19
3.4132 20
6 O 3.432 11
2.6559 3
3.185 15
3.3422 17
2.69 4
2.777 3
2.9185 4
2.7613 5
2.6009 5
3.3616 13
3.3278 19
3.3685 20
7 Na ,Na 2.976 9
2.29 20
2.2897 20
2.2899 20
2.8778 3
2.4553 4
2.8778 3
2.8766 3
2.4565 4
2.4553 4
8 Na ,Na 2.976 12
2.3404 20
2.928 20
2.3401 20
2.9278 20
2.3403 20
2.928 20
2.9001 3
2.3893 4
2.9001 3
2.8989 3
2.3905 4
2.3893 4
9 Na ,Na 2.976 6
1.4332 20
1.4328 20
1.4332 20
2.8106 4
2.8116 4
2.8106 4
10 Na ,Ca 3.048 18
2.4928 3
2.4527 5
2.4623 6
2.4704 13
2.3812 15
2.9758 17
2.8917 17
2.1634 19
2.8571 5
2.888 6
2.398 13
2.441 13
2.4588 15
2.4507 15
2.3578 17
2.363 17
2.5422 19
2.5554 19
11 Na ,Ca 3.048 17
2.5504 3
2.2116 5
2.228 6
2.8327 13
2.3457 15
2.8013 17
2.5286 19
2.9509 5
2.9534 6
2.5764 13
2.6078 13
2.7577 15
2.7385 15
2.6026 17
2.5955 17
2.6715 19
2.6737 19
12 C ,C 2.04 15
1.3096 13
1.7553 15
1.4187 17
1.3373 19
1.3096 13
1.3098 13
1.7553 15
1.7553 15
1.4187 17
1.4188 17
1.3373 19
1.3374 19
1.8562 15
1.8562 15
1.8563 15
13 O ,O 3.432 31
3.1086 3
1.2102 15
0.5845 17
0.4274 19
2.2684 13
2.2684 13
2.5306 15
2.5535 15
2.319 17
2.3377 17
2.2654 19
2.2795 19
2.9142 15
3.2684 17
3.3475 19
3.3354 5
3.3618 6
2.8764 13
2.8764 13
2.8765 13
2.8765 13
1.8849 15
1.8539 15
3.41 17
2.3761 17
3.3973 17
2.3579 17
2.5013 19
3.2575 19
2.4885 19
3.2477 19
14 C ,C 2.04 15
1.7826 13
1.2722 15
1.4363 17
1.7826 13
1.7827 13
1.2722 15
1.2723 15
1.4363 17
1.4364 17
1.8821 13
1.5704 19
1.8821 13
1.8822 13
1.5704 19
1.5705 19
15 O ,O 3.432 26
3.2054 5
3.185 6
1.2102 13
0.6258 17
1.6345 19
2.5535 13
2.5306 13
2.2035 15
2.2035 15
2.3112 17
2.3046 17
2.7451 19
2.736 19
2.9142 13
3.2135 17
2.7038 19
1.8538 13
1.8851 13
2.8596 15
2.8596 15
2.8597 15
2.8597 15
2.3187 17
2.3254 17
1.5641 19
1.5802 19
16 C ,C 2.04 15
1.4339 13
1.4176 15
1.293 17
1.6204 19
1.4339 13
1.434 13
1.4176 15
1.4177 15
1.293 17
1.2931 17
1.6204 19
1.6205 19
2.0041 19
2.0041 19
2.0041 19
17 O ,O 3.432 29
3.2137 3
3.3704 5
3.3422 6
0.5845 13
0.6258 15
1.0094 19
2.3377 13
2.319 13
2.3046 15
2.3112 15
2.2395 17
2.2395 17
2.4387 19
2.4345 19
3.2684 13
3.2135 15
2.9944 19
2.3578 13
3.3972 13
2.3763 13
3.41 13
2.3253 15
2.3189 15
2.8689 17
2.8689 17
2.869 17
2.869 17
2.0095 19
2.0148 19
18 C ,C 2.04 15
1.3769 13
1.6401 17
1.2679 19
1.3769 13
1.377 13
1.6401 17
1.6402 17
1.2679 19
1.268 19
1.5739 15
2.02 17
1.5739 15
1.5739 15
2.02 17
2.0201 17
19 O ,O 3.432 29
3.1527 3
0.4274 13
1.6345 15
1.0094 17
2.2795 13
2.2654 13
2.736 15
2.7451 15
2.4345 17
2.4387 17
2.1961 19
2.1961 19
3.3475 13
2.7038 15
2.9944 17
3.2905 5
3.3279 6
3.2476 13
2.4884 13
3.2576 13
2.5014 13
1.58 15
1.5643 15
2.0146 17
2.0096 17
2.8577 19
2.8577 19
2.8578 19
2.8578 19
20 H(2)O,H(2)O 3.6 10
1.0598 20
1.0598 20
3.3244 3
3.5109 3
3.4851 4
3.1495 4
3.5405 4
3.2108 4
3.4133 5
3.3684 6
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 1 0 0 4.045 8.09 0.046 398.97 6 16.7 134.8
2 1 1 0 7.018 14.035 0.079 131.03 6 62.5 617.6
3 2 0 0 8.11 16.22 0.092 97.54 6 20.4 49.2
4 1 0 1 9.561 19.123 0.108 69.56 12 72.3 877.0
5 1 2 0 10.756 21.512 0.121 54.52 6 14.5 13.9
6 2 1 0 10.756 21.512 0.121 54.52 6 37.7 93.5
7 1 1 1 11.172 22.344 0.126 50.38 12 8.8 9.3
8 2 0 1 11.9 23.799 0.134 44.16 12 6.9 5.1
9 3 0 0 12.217 24.434 0.137 41.79 6 84.0 355.6
10 1 2 1 13.867 27.735 0.156 31.98 12 73.0 410.9
11 2 1 1 13.867 27.735 0.156 31.98 12 72.1 400.9
12 2 2 0 14.144 28.287 0.159 30.66 6 12.8 6.1
13 1 3 0 14.734 29.468 0.165 28.1 6 16.7 9.5
14 3 1 0 14.734 29.468 0.165 28.1 6 11.9 4.8
15 3 0 1 15.047 30.094 0.169 26.87 12 29.5 56.2
16 4 0 0 16.389 32.778 0.183 22.35 6 106.3 304.5
17 2 2 1 16.674 33.347 0.186 21.53 12 3.2 0.5
18 1 3 1 17.185 34.371 0.192 20.16 12 56.8 157.1
19 3 1 1 17.185 34.371 0.192 20.16 12 44.0 94.1
20 0 0 2 17.504 35.007 0.195 19.37 2 173.3 234.0
21 2 3 0 17.907 35.814 0.2 18.43 6 29.4 19.2
22 3 2 0 17.907 35.814 0.2 18.43 6 23.0 11.8
23 1 0 2 17.995 35.989 0.201 18.23 12 26.6 31.0
24 4 0 1 18.647 37.293 0.208 16.86 12 85.8 299.3
25 1 4 0 18.86 37.719 0.21 16.44 6 22.6 10.1
26 4 1 0 18.86 37.719 0.21 16.44 6 10.7 2.3
27 1 1 2 18.943 37.887 0.211 16.28 12 23.6 21.9
28 2 0 2 19.403 38.806 0.216 15.44 12 17.6 11.5
29 2 3 1 20.016 40.031 0.222 14.41 12 44.0 67.4
30 3 2 1 20.016 40.031 0.222 14.41 12 48.4 81.3
31 5 0 0 20.652 41.304 0.229 13.44 6 33.9 18.7
32 1 2 2 20.73 41.46 0.23 13.33 12 17.7 10.1
33 2 1 2 20.73 41.46 0.23 13.33 12 21.3 14.7
34 1 4 1 20.886 41.773 0.231 13.1 12 41.9 55.4
35 4 1 1 20.886 41.773 0.231 13.1 12 41.0 53.1
36 3 3 0 21.502 43.003 0.238 12.28 6 111.9 185.6
37 3 0 2 21.577 43.154 0.239 12.18 12 53.9 85.5
38 2 4 0 21.917 43.833 0.242 11.76 6 18.9 5.1
39 4 2 0 21.917 43.833 0.242 11.76 6 11.4 1.9
40 5 0 1 22.545 45.091 0.249 11.04 12 54.1 77.9
41 2 2 2 22.8 45.6 0.252 10.76 12 4.4 0.5
42 1 5 0 23.125 46.251 0.255 10.42 6 11.9 1.8
43 5 1 0 23.125 46.251 0.255 10.42 6 10.6 1.4
44 1 3 2 23.196 46.393 0.256 10.35 12 5.6 0.8
45 3 1 2 23.196 46.393 0.256 10.35 12 8.4 1.8
46 3 3 1 23.34 46.679 0.257 10.21 12 3.2 0.3
47 2 4 1 23.729 47.458 0.261 9.83 12 22.3 11.8
48 4 2 1 23.729 47.458 0.261 9.83 12 13.9 4.6
49 4 0 2 24.356 48.711 0.268 9.26 12 66.7 99.4
50 1 5 1 24.869 49.739 0.273 8.83 12 5.7 0.7
51 5 1 1 24.869 49.739 0.273 8.83 12 2.7 0.2
52 6 0 0 25.039 50.078 0.275 8.7 6 25.6 6.9
53 3 4 0 25.409 50.817 0.279 8.41 6 29.7 9.0
54 4 3 0 25.409 50.817 0.279 8.41 6 41.5 17.5
55 2 3 2 25.475 50.95 0.279 8.36 12 51.2 52.8
56 3 2 2 25.475 50.95 0.279 8.36 12 55.1 61.2
57 2 5 0 26.137 52.273 0.286 7.89 6 70.8 47.7
58 5 2 0 26.137 52.273 0.286 7.89 6 48.5 22.4
59 1 4 2 26.202 52.403 0.287 7.84 12 44.1 36.8
60 4 1 2 26.202 52.403 0.287 7.84 12 36.9 25.7
61 6 0 1 26.689 53.379 0.292 7.52 12 30.1 16.5
62 3 4 1 27.043 54.086 0.295 7.3 12 29.8 15.6
63 4 3 1 27.043 54.086 0.295 7.3 12 43.1 32.7
64 1 0 3 27.17 54.34 0.296 7.22 12 42.0 30.8
65 1 6 0 27.552 55.104 0.3 7.0 6 15.0 1.9
66 6 1 0 27.552 55.104 0.3 7.0 6 6.3 0.3
67 5 0 2 27.615 55.229 0.301 6.96 12 32.2 17.4
68 2 5 1 27.741 55.482 0.302 6.89 12 35.7 21.2
69 5 2 1 27.741 55.482 0.302 6.89 12 24.6 10.1
70 1 1 3 27.866 55.732 0.303 6.82 12 6.0 0.6
71 2 0 3 28.209 56.419 0.307 6.63 12 42.1 28.4
72 3 3 2 28.303 56.606 0.308 6.58 12 30.9 15.2
73 2 4 2 28.643 57.286 0.311 6.41 12 17.7 4.8
74 4 2 2 28.643 57.286 0.311 6.41 12 20.8 6.7
75 1 6 1 29.103 58.206 0.316 6.18 12 41.6 25.8
76 6 1 1 29.103 58.206 0.316 6.18 12 48.0 34.4
77 1 2 3 29.224 58.448 0.317 6.12 12 58.0 49.8
78 2 1 3 29.224 58.448 0.317 6.12 12 58.8 51.1
79 4 4 0 29.256 58.511 0.317 6.11 6 86.1 54.6
80 3 5 0 29.589 59.177 0.321 5.95 6 33.4 8.0
81 5 3 0 29.589 59.177 0.321 5.95 6 52.2 19.6
82 7 0 0 29.589 59.177 0.321 5.95 6 15.7 1.8
83 1 5 2 29.649 59.297 0.321 5.93 12 20.1 5.8
84 5 1 2 29.649 59.297 0.321 5.93 12 9.8 1.4
85 3 0 3 29.889 59.777 0.323 5.82 12 18.5 4.8
86 2 6 0 30.575 61.149 0.33 5.53 6 7.6 0.4
87 6 2 0 30.575 61.149 0.33 5.53 6 8.1 0.4
88 4 4 1 30.752 61.504 0.332 5.46 12 10.2 1.4
89 2 2 3 30.869 61.738 0.333 5.42 12 9.0 1.1
90 3 5 1 31.075 62.15 0.335 5.34 12 47.9 29.5
91 5 3 1 31.075 62.15 0.335 5.34 12 65.4 55.1
92 7 0 1 31.075 62.15 0.335 5.34 12 63.3 51.6
93 1 3 3 31.192 62.383 0.336 5.29 12 51.9 34.4
94 3 1 3 31.192 62.383 0.336 5.29 12 40.1 20.5
95 6 0 2 31.28 62.559 0.337 5.26 12 77.6 76.4
96 3 4 2 31.6 63.2 0.34 5.15 12 15.8 3.1
97 4 3 2 31.6 63.2 0.34 5.15 12 22.4 6.2
98 2 6 1 32.034 64.068 0.344 4.99 12 53.0 33.8
99 6 2 1 32.034 64.068 0.344 4.99 12 54.1 35.3
100 4 0 3 32.149 64.297 0.345 4.96 12 81.6 79.6
101 1 7 0 32.178 64.356 0.346 4.95 6 84.0 42.1
102 7 1 0 32.178 64.356 0.346 4.95 6 52.9 16.7
103 2 5 2 32.235 64.471 0.346 4.93 12 41.9 20.9
104 5 2 2 32.235 64.471 0.346 4.93 12 27.5 9.0
105 2 3 3 33.09 66.181 0.354 4.66 12 39.2 17.2
106 3 2 3 33.09 66.181 0.354 4.66 12 44.4 22.2
107 4 5 0 33.43 66.861 0.358 4.56 6 10.9 0.7
108 5 4 0 33.43 66.861 0.358 4.56 6 9.1 0.5
109 1 6 2 33.486 66.973 0.358 4.54 12 4.0 0.2
110 6 1 2 33.486 66.973 0.358 4.54 12 5.3 0.3
111 1 7 1 33.599 67.198 0.359 4.51 12 2.7 0.1
112 7 1 1 33.599 67.198 0.359 4.51 12 9.2 0.9
113 1 4 3 33.711 67.422 0.36 4.48 12 3.9 0.2
114 4 1 3 33.711 67.422 0.36 4.48 12 14.5 2.3
115 3 6 0 34.048 68.095 0.363 4.39 6 32.2 5.5
116 6 3 0 34.048 68.095 0.363 4.39 6 25.2 3.4
117 8 0 0 34.354 68.709 0.366 4.31 6 38.7 7.8
118 4 5 1 34.826 69.651 0.371 4.19 12 14.6 2.1
119 5 4 1 34.826 69.651 0.371 4.19 12 19.9 4.0
120 5 0 3 34.935 69.871 0.372 4.16 12 27.6 7.7
121 4 4 2 35.019 70.037 0.372 4.14 12 83.9 70.3
122 2 7 0 35.267 70.533 0.375 4.08 6 27.1 3.6
123 7 2 0 35.267 70.533 0.375 4.08 6 48.2 11.4
124 3 5 2 35.321 70.643 0.375 4.07 12 7.7 0.6
125 5 3 2 35.321 70.643 0.375 4.07 12 27.0 7.2
126 7 0 2 35.321 70.643 0.375 4.07 12 26.5 6.9
127 3 6 1 35.431 70.863 0.376 4.04 12 10.7 1.1
128 6 3 1 35.431 70.863 0.376 4.04 12 10.5 1.1
129 3 3 3 35.54 71.081 0.377 4.02 12 3.2 0.1
130 8 0 1 35.733 71.465 0.379 3.98 12 109.3 114.6
131 2 4 3 35.841 71.682 0.38 3.95 12 21.1 4.2
132 4 2 3 35.841 71.682 0.38 3.95 12 15.9 2.4
133 2 6 2 36.223 72.446 0.384 3.87 12 14.5 2.0
134 6 2 2 36.223 72.446 0.384 3.87 12 15.9 2.4
135 2 7 1 36.63 73.26 0.387 3.79 12 18.4 3.1
136 7 2 1 36.63 73.26 0.387 3.79 12 30.9 8.7
137 1 5 3 36.738 73.475 0.388 3.77 12 35.1 11.2
138 5 1 3 36.738 73.475 0.388 3.77 12 31.3 8.9
139 0 0 4 36.98 73.96 0.39 3.72 2 113.5 19.3
140 1 8 0 37.062 74.124 0.391 3.71 6 7.3 0.2
141 8 1 0 37.062 74.124 0.391 3.71 6 1.0 0.0
142 1 0 4 37.276 74.552 0.393 3.67 12 19.5 3.4
143 5 5 0 37.653 75.307 0.397 3.6 6 31.0 4.2
144 1 7 2 37.707 75.413 0.397 3.59 12 64.5 36.1
145 7 1 2 37.707 75.413 0.397 3.59 12 45.8 18.2
146 1 1 4 37.866 75.732 0.398 3.57 12 48.2 20.0
147 4 6 0 37.948 75.895 0.399 3.55 6 39.2 6.6
148 6 4 0 37.948 75.895 0.399 3.55 6 33.6 4.8
149 2 0 4 38.16 76.32 0.401 3.52 12 26.0 5.7
150 6 0 3 38.214 76.428 0.402 3.51 12 17.6 2.6
151 1 8 1 38.401 76.802 0.403 3.48 12 54.2 24.6
152 8 1 1 38.401 76.802 0.403 3.48 12 26.8 6.0
153 3 4 3 38.507 77.013 0.404 3.46 12 41.7 14.5
154 4 3 3 38.507 77.013 0.404 3.46 12 56.1 26.3
155 3 7 0 38.826 77.653 0.407 3.41 6 16.2 1.1
156 7 3 0 38.826 77.653 0.407 3.41 6 28.9 3.4
157 4 5 2 38.879 77.758 0.407 3.41 12 13.1 1.4
158 5 4 2 38.879 77.758 0.407 3.41 12 18.4 2.8
159 5 5 1 38.985 77.971 0.408 3.39 12 5.8 0.3
160 1 2 4 39.037 78.074 0.409 3.38 12 15.5 2.0
161 2 1 4 39.037 78.074 0.409 3.38 12 17.4 2.5
162 2 5 3 39.09 78.181 0.409 3.38 12 5.9 0.3
163 5 2 3 39.09 78.181 0.409 3.38 12 17.2 2.4
164 4 6 1 39.276 78.553 0.411 3.35 12 19.2 3.0
165 6 4 1 39.276 78.553 0.411 3.35 12 18.2 2.7
166 9 0 0 39.409 78.817 0.412 3.33 6 60.7 14.8
167 3 6 2 39.461 78.922 0.413 3.32 12 64.9 33.8
168 6 3 2 39.461 78.922 0.413 3.32 12 57.8 26.8
169 3 0 4 39.618 79.237 0.414 3.3 12 36.7 10.7
170 8 0 2 39.751 79.503 0.415 3.29 12 38.0 11.4
171 3 7 1 40.147 80.293 0.419 3.24 12 29.4 6.8
172 7 3 1 40.147 80.293 0.419 3.24 12 35.0 9.6
173 1 6 3 40.251 80.502 0.419 3.22 12 13.9 1.5
174 6 1 3 40.251 80.502 0.419 3.22 12 24.9 4.8
175 2 8 0 40.278 80.556 0.42 3.22 6 38.5 5.8
176 8 2 0 40.278 80.556 0.42 3.22 6 34.6 4.7
177 2 2 4 40.487 80.973 0.421 3.2 12 39.4 12.0
178 2 7 2 40.619 81.238 0.423 3.18 12 13.3 1.4
179 7 2 2 40.619 81.238 0.423 3.18 12 31.1 7.4
180 9 0 1 40.724 81.448 0.423 3.17 12 13.9 1.5
181 1 3 4 40.775 81.55 0.424 3.16 12 6.5 0.3
182 3 1 4 40.775 81.55 0.424 3.16 12 3.8 0.1
183 2 8 1 41.587 83.174 0.431 3.08 12 29.3 6.4
184 8 2 1 41.587 83.174 0.431 3.08 12 38.8 11.2
185 4 0 4 41.638 83.276 0.431 3.07 12 49.0 17.8
186 4 4 3 41.691 83.381 0.432 3.07 12 1.8 0.0
187 3 5 3 41.978 83.955 0.434 3.04 12 44.0 14.2
188 5 3 3 41.978 83.955 0.434 3.04 12 52.9 20.5
189 7 0 3 41.978 83.955 0.434 3.04 12 51.1 19.2
190 1 9 0 42.291 84.582 0.437 3.01 6 0.4 0.0
191 5 6 0 42.291 84.582 0.437 3.01 6 27.7 2.8
192 6 5 0 42.291 84.582 0.437 3.01 6 42.0 6.4
193 9 1 0 42.291 84.582 0.437 3.01 6 1.8 0.0
194 1 8 2 42.343 84.685 0.437 3.01 12 17.6 2.3
195 8 1 2 42.343 84.685 0.437 3.01 12 17.0 2.1
196 2 3 4 42.498 84.995 0.439 2.99 12 44.2 14.1
197 3 2 4 42.498 84.995 0.439 2.99 12 40.2 11.7
198 2 6 3 42.836 85.673 0.441 2.97 12 59.1 25.0
199 6 2 3 42.836 85.673 0.441 2.97 12 59.6 25.4
200 4 7 0 42.863 85.726 0.442 2.96 6 63.0 14.2
201 7 4 0 42.863 85.726 0.442 2.96 6 49.9 8.9
202 5 5 2 42.915 85.83 0.442 2.96 12 2.9 0.1
203 1 4 4 43.07 86.139 0.443 2.95 12 20.2 2.9
204 4 1 4 43.07 86.139 0.443 2.95 12 15.9 1.8
205 4 6 2 43.201 86.401 0.444 2.94 12 38.9 10.7
206 6 4 2 43.201 86.401 0.444 2.94 12 36.0 9.2
207 1 9 1 43.59 87.18 0.448 2.91 12 16.7 2.0
208 5 6 1 43.59 87.18 0.448 2.91 12 20.8 3.0
209 6 5 1 43.59 87.18 0.448 2.91 12 27.3 5.2
210 9 1 1 43.59 87.18 0.448 2.91 12 23.3 3.8
211 3 8 0 44.005 88.011 0.451 2.88 6 24.3 2.1
212 8 3 0 44.005 88.011 0.451 2.88 6 35.4 4.4
213 3 7 2 44.057 88.114 0.451 2.88 12 13.8 1.3
214 7 3 2 44.057 88.114 0.451 2.88 12 11.1 0.9
215 4 7 1 44.161 88.322 0.452 2.87 12 9.1 0.6
216 7 4 1 44.161 88.322 0.452 2.87 12 13.6 1.3
217 5 0 4 44.211 88.423 0.453 2.87 12 37.8 9.9
218 1 7 3 44.264 88.528 0.453 2.87 12 8.6 0.5
219 7 1 3 44.264 88.528 0.453 2.87 12 9.1 0.6
220 9 0 2 44.627 89.254 0.456 2.85 12 33.0 7.5
221 3 3 4 44.782 89.563 0.457 2.84 12 27.1 5.0
222 10 0 0 44.861 89.722 0.458 2.84 6 4.3 0.1
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 1 0 0 4.045 8.09 10.91997 134.8 15.4 15.5 5.6
2 1 1 0 7.018 14.035 6.30465 617.6 70.4 70.7 5.6
3 2 0 0 8.11 16.22 5.45999 49.2 5.6 5.6 5.6
4 1 0 1 9.561 19.123 4.6373 877.0 100.0 100.0 5.6
5 2 1 0 10.756 21.512 4.12736 107.4 12.3 12.2 5.6
6 1 1 1 11.172 22.344 3.97547 9.3 1.1 1.1 5.6
7 3 0 0 12.217 24.434 3.63999 355.6 40.5 40.4 5.6
8 1 2 1 13.867 27.735 3.21382 811.8 92.6 92.0 5.6
9 1 3 0 14.734 29.468 3.02866 14.3 1.6 1.6 5.6
10 3 0 1 15.047 30.094 2.96708 56.2 6.4 6.4 5.6
11 4 0 0 16.389 32.778 2.72999 304.5 34.7 34.4 5.6
12 1 3 1 17.185 34.371 2.60701 251.2 28.6 28.3 5.7
13 0 0 2 17.504 35.007 2.56105 234.0 26.7 26.3 5.7
14 2 3 0 17.907 35.814 2.50521 31.0 3.5 3.5 5.7
15 1 0 2 17.995 35.989 2.49339 31.0 3.5 3.5 5.7
16 4 0 1 18.647 37.293 2.40917 299.3 34.1 33.6 5.7
17 1 4 0 18.86 37.719 2.38293 12.4 1.4 1.4 5.7
18 1 1 2 18.943 37.887 2.37276 21.9 2.5 2.5 5.7
19 2 0 2 19.403 38.806 2.31865 11.5 1.3 1.3 5.7
20 3 2 1 20.016 40.031 2.25046 148.6 16.9 16.7 5.7
21 5 0 0 20.652 41.304 2.18399 18.7 2.1 2.1 5.7
22 2 1 2 20.73 41.46 2.17615 24.7 2.8 2.8 5.7
23 1 4 1 20.886 41.773 2.16057 108.5 12.4 12.1 5.7
24 3 3 0 21.502 43.003 2.10155 185.6 21.2 20.7 5.7
25 3 0 2 21.577 43.154 2.09456 85.5 9.7 9.5 5.7
26 5 0 1 22.545 45.091 2.00899 77.9 8.9 8.7 5.7
27 2 4 1 23.729 47.458 1.91416 16.4 1.9 1.8 5.7
28 4 0 2 24.356 48.711 1.86781 99.4 11.3 11.0 5.7
29 4 3 0 25.409 50.817 1.79523 26.5 3.0 2.9 5.8
30 3 2 2 25.475 50.95 1.79087 114.0 13.0 12.6 5.8
31 2 5 0 26.137 52.273 1.7486 70.1 8.0 7.7 5.8
32 1 4 2 26.202 52.403 1.74456 62.5 7.1 6.9 5.8
33 6 0 1 26.689 53.379 1.71495 16.5 1.9 1.8 5.8
34 4 3 1 27.043 54.086 1.69419 48.4 5.5 5.3 5.8
35 1 0 3 27.17 54.34 1.68687 30.8 3.5 3.4 5.8
36 5 0 2 27.615 55.229 1.6618 17.4 2.0 1.9 5.8
37 2 5 1 27.741 55.482 1.65482 31.3 3.6 3.4 5.8
38 2 0 3 28.209 56.419 1.62955 28.4 3.2 3.1 5.8
39 3 3 2 28.303 56.606 1.6246 15.2 1.7 1.7 5.8
40 4 2 2 28.643 57.286 1.60691 11.6 1.3 1.3 5.8
41 6 1 1 29.103 58.206 1.58368 60.2 6.9 6.6 5.8
42 2 1 3 29.224 58.448 1.5777 100.9 11.5 11.1 5.8
43 4 4 0 29.256 58.511 1.57616 54.6 6.2 6.0 5.8
44 5 3 0 29.589 59.177 1.56 29.4 3.3 3.2 5.8
45 7 0 1 31.075 62.15 1.49232 136.2 15.5 14.8 5.8
46 1 3 3 31.192 62.383 1.48731 55.0 6.3 6.0 5.8
47 6 0 2 31.28 62.559 1.48354 76.4 8.7 8.3 5.8
48 4 3 2 31.6 63.2 1.47004 9.3 1.1 1.0 5.9
49 6 2 1 32.034 64.068 1.45219 69.1 7.9 7.5 5.9
50 4 0 3 32.149 64.297 1.44758 79.6 9.1 8.6 5.9
51 1 7 0 32.178 64.356 1.44639 58.8 6.7 6.4 5.9
52 2 5 2 32.235 64.471 1.4441 29.9 3.4 3.2 5.9
53 3 2 3 33.09 66.181 1.41087 39.4 4.5 4.3 5.9
54 3 6 0 34.048 68.095 1.37579 8.8 1.0 1.0 5.9
55 4 4 2 35.019 70.037 1.34232 70.3 8.0 7.6 5.9
56 7 2 0 35.267 70.533 1.33409 15.1 1.7 1.6 5.9
57 5 3 2 35.321 70.643 1.33229 14.1 1.6 1.5 5.9
58 8 0 1 35.733 71.465 1.31896 114.6 13.1 12.3 5.9
59 7 2 1 36.63 73.26 1.29102 11.8 1.3 1.3 6.0
60 1 5 3 36.738 73.475 1.28777 20.1 2.3 2.1 6.0
61 0 0 4 36.98 73.96 1.28052 19.3 2.2 2.1 6.0
62 1 7 2 37.707 75.413 1.25941 54.2 6.2 5.8 6.0
63 1 1 4 37.866 75.732 1.2549 20.0 2.3 2.1 6.0
64 4 6 0 37.948 75.895 1.25261 11.4 1.3 1.2 6.0
65 1 8 1 38.401 76.802 1.24006 30.7 3.5 3.3 6.0
66 4 3 3 38.507 77.013 1.23719 40.9 4.7 4.3 6.0
67 9 0 0 39.409 78.817 1.21333 14.8 1.7 1.6 6.0
68 3 6 2 39.461 78.922 1.21198 60.6 6.9 6.4 6.0
69 3 0 4 39.618 79.237 1.20796 10.7 1.2 1.1 6.0
70 8 0 2 39.751 79.503 1.20458 11.4 1.3 1.2 6.0
71 7 3 1 40.147 80.293 1.19471 16.3 1.9 1.7 6.0
72 8 2 0 40.278 80.556 1.19147 16.8 1.9 1.8 6.1
73 2 2 4 40.487 80.973 1.18638 12.0 1.4 1.3 6.1
74 7 2 2 40.619 81.238 1.18318 8.8 1.0 0.9 6.1
75 8 2 1 41.587 83.174 1.16048 17.5 2.0 1.8 6.1
76 4 0 4 41.638 83.276 1.15933 17.8 2.0 1.9 6.1
77 7 0 3 41.978 83.955 1.15167 53.9 6.1 5.6 6.1
78 6 5 0 42.291 84.582 1.14472 9.2 1.0 1.0 6.1
79 2 3 4 42.498 84.995 1.14021 25.8 2.9 2.7 6.1
80 6 2 3 42.836 85.673 1.13292 73.5 8.4 7.6 6.1
81 4 6 2 43.201 86.401 1.12523 19.9 2.3 2.1 6.1
82 9 1 1 43.59 87.18 1.11716 14.0 1.6 1.5 6.2
83 5 0 4 44.211 88.423 1.10465 9.9 1.1 1.0 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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