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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HYDROCALUMITE
1, t-hydrocalumite, DF
Ca(8)Al(4)(OH)(24)[CO(3)](0.78)Cl(1.3)(OH)(1.14)[H(2)O](3.02).8H(2)O
Monoclinic C 2/c Z = 1
R =0.069 NR =867
21 .3 .1995
Ref.Str.:
Sacerdoti M., Passaglia E. (1988)
* Neues Jb. Miner., Mh., H.10, 462-475
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.02 alpha = 90.0
b = 5.751 beta = 104.22
c = 16.286 gamma = 90.0
Unit cell volume (cub. angs.) = 909.73
Molar volume ( cub.cm/mol.) = 547.96
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.098 0.2492 0.0361 0.01 Ca = 1.00
2 0.25 0.75 0.0 0.01 Al = 1.00
3 0.0997 0.9302 0.9369 0.01 OH = 1.00
4 0.092 0.948 0.883 0.0 H = 1.00
5 0.1228 0.6529 0.0638 0.02 OH = 1.00
6 0.131 0.705 0.12 0.0 H = 1.00
7 0.3031 0.0286 0.063 0.01 OH = 1.00
8 0.363 0.016 0.118 0.0 H = 1.00
9 0.1414 0.2425 0.1917 0.05 H(2)O = 1.00
10 0.145 0.358 0.217 0.0 H = 0.5 , H = 0.0
11 0.144 0.143 0.21 0.0 H = 0.5 , H = 0.0
12 0.235 0.265 0.206 0.0 H = 0.5 , H = 0.0
13 0.103 0.288 0.215 0.0 H = 0.5 , H = 0.0
14 0.5 0.017 0.25 0.05 O = 0.55, O = 0.0
15 0.6086 0.3512 0.2484 0.07 O = 0.36, O = 0.0
16 0.5 0.4909 0.25 0.04 H(2)O = 0.23, H(2)O = 0.0
17 0.5 0.2264 0.25 0.04 C = 0.36, Cl = 0.48
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.098 0.2492 0.0361
2 2 0.25 0.75 0.0
3 3 0.0997 0.9302 0.9369
4 4 0.092 0.948 0.883
5 5 0.1228 0.6529 0.0638
6 6 0.131 0.705 0.12
7 7 0.3031 0.0286 0.063
8 8 0.363 0.016 0.118
9 9 0.1414 0.2425 0.1917
10 10 0.145 0.358 0.217
11 11 0.144 0.143 0.21
12 12 0.235 0.265 0.206
13 13 0.103 0.288 0.215
14 14 0.5 0.017 0.25
15 15 0.6086 0.3512 0.2484
16 16 0.5 0.4909 0.25
17 17 0.5 0.2264 0.25
18 1 0.902 0.7508 0.9639
19 2 0.75 0.25 0.0
20 3 0.9003 0.0698 0.0631
21 4 0.908 0.052 0.117
22 5 0.8772 0.3471 0.9362
23 6 0.869 0.295 0.88
24 7 0.6969 0.9714 0.937
25 8 0.637 0.984 0.882
26 9 0.8586 0.7575 0.8083
27 10 0.855 0.642 0.783
28 11 0.856 0.857 0.79
29 12 0.765 0.735 0.794
30 13 0.897 0.712 0.785
31 14 0.5 0.983 0.75
32 15 0.3914 0.6488 0.7516
33 16 0.5 0.5091 0.75
34 17 0.5 0.7736 0.75
35 1 0.098 0.7508 0.5361
36 2 0.25 0.25 0.5
37 3 0.0997 0.0698 0.4369
38 4 0.092 0.052 0.383
39 5 0.1228 0.3471 0.5638
40 6 0.131 0.295 0.62
41 7 0.3031 0.9714 0.563
42 8 0.363 0.984 0.618
43 9 0.1414 0.7575 0.6917
44 10 0.145 0.642 0.717
45 11 0.144 0.857 0.71
46 12 0.235 0.735 0.706
47 13 0.103 0.712 0.715
48 15 0.6086 0.6488 0.7484
49 1 0.902 0.2492 0.4639
50 2 0.75 0.75 0.5
51 3 0.9003 0.9302 0.5631
52 4 0.908 0.948 0.617
53 5 0.8772 0.6529 0.4362
54 6 0.869 0.705 0.38
55 7 0.6969 0.0286 0.437
56 8 0.637 0.016 0.382
57 9 0.8586 0.2425 0.3083
58 10 0.855 0.358 0.283
59 11 0.856 0.143 0.29
60 12 0.765 0.265 0.294
61 13 0.897 0.288 0.285
62 15 0.3914 0.3512 0.2516
63 1 0.598 0.2508 0.5361
64 3 0.5997 0.5698 0.4369
65 4 0.592 0.552 0.383
66 5 0.6228 0.8471 0.5638
67 6 0.631 0.795 0.62
68 7 0.8031 0.4714 0.563
69 8 0.863 0.484 0.618
70 9 0.6414 0.2575 0.6917
71 10 0.645 0.142 0.717
72 11 0.644 0.357 0.71
73 12 0.735 0.235 0.706
74 13 0.603 0.212 0.715
75 14 0.0 0.483 0.75
76 15 0.1086 0.1488 0.7484
77 16 0.0 0.0091 0.75
78 17 0.0 0.2736 0.75
79 1 0.402 0.7492 0.4639
80 3 0.4003 0.4302 0.5631
81 4 0.408 0.448 0.617
82 5 0.3772 0.1529 0.4362
83 6 0.369 0.205 0.38
84 7 0.1969 0.5286 0.437
85 8 0.137 0.516 0.382
86 9 0.3586 0.7425 0.3083
87 10 0.355 0.858 0.283
88 11 0.356 0.643 0.29
89 12 0.265 0.765 0.294
90 13 0.397 0.788 0.285
91 14 0.0 0.517 0.25
92 15 0.8914 0.8512 0.2516
93 16 0.0 0.9909 0.25
94 17 0.0 0.7264 0.25
95 1 0.598 0.7492 0.0361
96 3 0.5997 0.4302 0.9369
97 4 0.592 0.448 0.883
98 5 0.6228 0.1529 0.0638
99 6 0.631 0.205 0.12
100 7 0.8031 0.5286 0.063
101 8 0.863 0.516 0.118
102 9 0.6414 0.7425 0.1917
103 10 0.645 0.858 0.217
104 11 0.644 0.643 0.21
105 12 0.735 0.765 0.206
106 13 0.603 0.788 0.215
107 15 0.1086 0.8512 0.2484
108 1 0.402 0.2508 0.9639
109 3 0.4003 0.5698 0.0631
110 4 0.408 0.552 0.117
111 5 0.3772 0.8471 0.9362
112 6 0.369 0.795 0.88
113 7 0.1969 0.4714 0.937
114 8 0.137 0.484 0.882
115 9 0.3586 0.2575 0.8083
116 10 0.355 0.142 0.783
117 11 0.356 0.357 0.79
118 12 0.265 0.235 0.794
119 13 0.397 0.212 0.785
120 15 0.8914 0.1488 0.7516
X-ray density (g/cm cub.) = 2.2
MU (1/cm) = 131.339 Mass attenuation coefficient (cm**2/g) = 59.763
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.42 7
2.4474 3
2.3665 5
2.3627 7
2.4639 9
2.3685 3
2.4679 5
2.4506 7
2 Al 2.856 6
1.9073 3
1.9148 5
1.9065 7
1.9073 3
1.9148 5
1.9065 7
3 OH 3.852 12
2.5755 5
2.5759 7
3.2982 3
3.2721 5
2.9535 9
3.3388 15
2.9958 16
3.8146 3
2.8241 5
3.2611 7
2.8124 7
3.4568 15
4 H 2.172 2
0.8682 3
2.1643 16
5 OH 3.852 11
2.5755 3
2.8185 7
3.123 9
3.2721 3
3.3098 5
3.6268 14
3.2791 7
3.2511 15
2.8241 3
3.8296 5
2.5804 7
6 H 2.172 1
0.9473 5
7 OH 3.852 11
2.5759 3
2.8185 5
3.1938 9
3.1969 14
3.5106 15
3.2791 5
3.2611 3
2.8124 3
2.5804 5
3.2795 7
3.813 7
8 H 2.172 1
0.9506 7
9 H(2)O 3.972 16
3.123 5
3.9598 5
3.1938 7
3.7173 14
3.7652 16
2.9535 3
3.7788 9
2.5332 15
3.8185 9
3.8185 9
2.4621 14
3.6731 15
2.3798 16
3.8859 7
3.6557 15
2.4847 15
10 H ,H 2.172 2
0.7778 9
1.9025 14
11 H ,H 2.172 3
0.6428 9
1.9322 16
1.8553 15
12 H ,H 2.172 2
0.9183 9
1.6375 15
13 H ,H 2.172 3
0.6575 9
1.8476 14
2.1444 16
14 O ,O 3.804 12
3.1969 7
3.7173 9
2.212 15
2.7254 16
3.0256 16
3.1969 7
3.7173 9
2.212 15
3.6268 5
2.4621 9
3.6268 5
2.4621 9
15 O ,O 3.804 11
2.212 14
1.358 16
3.5106 7
2.5332 9
2.1897 15
3.3388 3
3.6731 9
3.2511 5
2.4847 9
3.6557 9
3.4568 3
16 H(2)O,H(2)O 3.972 10
3.7652 9
3.0256 14
2.7254 14
1.358 15
3.7652 9
1.358 15
2.9958 3
2.3798 9
2.3798 9
2.9958 3
17 C ,Cl 4.344 17
3.3926 7
3.4849 9
1.2043 14
1.3091 15
1.5211 16
4.2299 16
3.3926 7
3.4849 9
1.3091 15
3.5594 3
3.5667 5
3.5184 9
3.3637 9
3.5667 5
3.5184 9
3.3637 9
3.5594 3
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 2 5.6 11.2 0.063 207.05 2 172.3 1486.1
2 1 1 0 8.955 17.91 0.101 79.61 4 3.7 0.5
3 1 1 -1 9.044 18.088 0.102 78.01 4 8.1 2.5
4 2 0 0 9.126 18.252 0.103 76.57 2 24.8 11.4
5 2 0 -2 9.471 18.942 0.107 70.94 2 1.0 0.0
6 1 1 1 9.721 19.442 0.11 67.23 4 18.4 11.0
7 1 1 -2 9.966 19.931 0.112 63.86 4 6.5 1.3
8 1 1 2 11.174 22.348 0.126 50.36 4 3.5 0.3
9 0 0 4 11.255 22.509 0.127 49.61 2 193.6 449.3
10 1 1 -3 11.53 23.06 0.13 47.17 4 115.6 304.5
11 2 0 2 11.866 23.733 0.133 44.42 2 135.7 197.8
12 2 0 -4 12.661 25.322 0.142 38.77 2 45.6 19.4
13 1 1 3 13.098 26.197 0.147 36.09 4 43.2 32.5
14 1 1 -4 13.528 27.055 0.152 33.71 4 5.4 0.5
15 1 1 4 15.333 30.666 0.172 25.8 4 2.3 0.1
16 3 1 -1 15.478 30.956 0.173 25.28 4 175.4 376.1
17 0 2 0 15.538 31.076 0.174 25.07 2 168.1 171.2
18 3 1 -2 15.638 31.275 0.175 24.73 4 14.4 2.5
19 0 2 1 15.8 31.6 0.177 24.19 4 40.8 19.5
20 1 1 -5 15.811 31.623 0.177 24.15 4 19.9 4.6
21 3 1 0 15.844 31.689 0.177 24.04 4 31.4 11.4
22 2 0 4 16.266 32.532 0.182 22.72 2 27.0 4.0
23 3 1 -3 16.309 32.618 0.182 22.59 4 36.8 14.8
24 0 2 2 16.565 33.129 0.185 21.84 4 49.7 26.1
25 3 1 1 16.705 33.41 0.187 21.44 4 44.9 20.9
26 0 0 6 17.023 34.046 0.19 20.58 2 81.0 32.7
27 2 0 -6 17.261 34.523 0.193 19.97 2 67.6 22.0
28 3 1 -4 17.44 34.879 0.195 19.52 4 106.1 106.2
29 0 2 3 17.774 35.548 0.198 18.73 4 97.5 86.0
30 1 1 5 17.78 35.561 0.198 18.71 4 76.2 52.5
31 4 0 -2 17.946 35.893 0.2 18.34 2 61.8 16.9
32 3 1 2 17.998 35.996 0.201 18.22 4 107.2 101.3
33 2 2 -1 18.0 36.0 0.201 18.22 4 6.0 0.3
34 2 2 0 18.138 36.277 0.202 17.91 4 25.2 5.5
35 1 1 -6 18.294 36.588 0.204 17.58 4 7.1 0.4
36 2 2 -2 18.323 36.646 0.204 17.52 4 150.9 192.8
37 4 0 0 18.495 36.989 0.206 17.16 2 148.1 91.0
38 2 2 1 18.729 37.457 0.208 16.7 4 8.0 0.5
39 3 1 -5 18.958 37.916 0.211 16.25 4 149.1 174.5
40 2 2 -3 19.087 38.175 0.212 16.01 4 4.3 0.1
41 4 0 -4 19.214 38.427 0.214 15.78 2 111.8 47.7
42 0 2 4 19.356 38.712 0.215 15.52 4 132.9 132.5
43 3 1 3 19.65 39.299 0.218 15.01 4 138.2 138.5
44 2 2 2 19.737 39.474 0.219 14.87 4 122.3 107.4
45 2 2 -4 20.25 40.5 0.225 14.04 4 102.8 71.7
46 1 1 6 20.386 40.771 0.226 13.83 4 3.2 0.1
47 4 0 2 20.736 41.471 0.23 13.32 2 115.3 42.8
48 3 1 -6 20.794 41.587 0.23 13.24 4 63.9 26.1
49 1 1 -7 20.927 41.854 0.232 13.05 4 181.8 208.4
50 2 2 3 21.113 42.225 0.234 12.79 4 8.0 0.4
51 0 2 5 21.243 42.485 0.235 12.62 4 68.5 28.6
52 2 0 6 21.445 42.891 0.237 12.35 2 190.8 108.6
53 3 1 4 21.594 43.188 0.239 12.16 4 55.9 18.3
54 2 2 -5 21.759 43.518 0.241 11.96 4 3.6 0.1
55 4 0 -6 22.031 44.062 0.243 11.63 2 83.7 19.7
56 2 0 -8 22.553 45.106 0.249 11.03 2 111.3 33.0
57 2 2 4 22.804 45.607 0.252 10.76 4 103.6 55.8
58 3 1 -7 22.888 45.777 0.252 10.67 4 92.9 44.4
59 0 0 8 22.975 45.951 0.253 10.57 2 82.3 17.3
60 1 1 7 23.121 46.241 0.255 10.43 4 105.2 55.8
61 0 2 6 23.379 46.758 0.258 10.17 4 99.2 48.4
62 2 2 -6 23.563 47.126 0.259 9.99 4 104.0 52.2
63 1 1 -8 23.686 47.372 0.261 9.87 4 4.3 0.1
64 3 1 5 23.779 47.557 0.262 9.78 4 91.4 39.5
65 5 1 -2 24.019 48.038 0.264 9.56 4 18.4 1.6
66 4 2 -2 24.097 48.195 0.265 9.49 4 14.0 0.9
67 4 2 -1 24.133 48.266 0.265 9.46 4 2.8 0.0
68 1 3 0 24.178 48.355 0.266 9.42 4 15.6 1.1
69 5 1 -1 24.201 48.401 0.266 9.4 4 26.4 3.2
70 5 1 -3 24.203 48.406 0.266 9.4 4 51.7 12.1
71 1 3 -1 24.214 48.429 0.266 9.39 4 25.3 2.9
72 4 0 4 24.284 48.568 0.267 9.33 2 66.8 10.1
73 4 2 -3 24.426 48.852 0.268 9.2 4 74.9 25.0
74 1 3 1 24.504 49.008 0.269 9.14 4 60.2 16.0
75 4 2 0 24.531 49.063 0.27 9.11 4 73.8 24.0
76 1 3 -2 24.613 49.227 0.27 9.05 4 55.6 13.5
77 5 1 0 24.742 49.484 0.272 8.94 4 71.2 21.9
78 5 1 -4 24.747 49.494 0.272 8.93 4 4.1 0.1
79 2 2 5 24.762 49.525 0.272 8.92 4 8.6 0.3
80 4 2 -4 25.108 50.217 0.275 8.64 4 31.3 4.1
81 1 3 2 25.184 50.367 0.276 8.59 4 14.1 0.8
82 3 1 -8 25.199 50.399 0.276 8.57 4 38.8 6.2
83 4 2 1 25.28 50.561 0.277 8.51 4 8.8 0.3
84 1 3 -3 25.362 50.723 0.278 8.45 4 48.9 9.8
85 2 2 -7 25.619 51.237 0.281 8.26 4 6.5 0.2
86 5 1 1 25.626 51.252 0.281 8.25 4 67.7 18.3
87 5 1 -5 25.634 51.268 0.281 8.25 4 31.2 3.9
88 0 2 7 25.726 51.451 0.282 8.18 4 29.1 3.4
89 1 1 8 25.973 51.946 0.284 8.0 4 5.4 0.1
90 4 0 -8 25.999 51.998 0.285 7.98 2 220.3 93.6
91 4 2 -5 26.124 52.248 0.286 7.9 4 25.5 2.5
92 3 1 6 26.166 52.333 0.286 7.87 4 27.1 2.8
93 1 3 3 26.196 52.392 0.287 7.85 4 30.3 3.5
94 4 2 2 26.358 52.716 0.288 7.74 4 25.4 2.4
95 1 3 -4 26.438 52.876 0.289 7.69 4 42.6 6.7
96 1 1 -9 26.562 53.123 0.29 7.6 4 64.2 15.2
97 5 1 2 26.829 53.658 0.293 7.43 4 22.4 1.8
98 5 1 -6 26.839 53.678 0.293 7.43 4 57.8 12.0
99 2 2 6 26.952 53.904 0.294 7.36 4 200.5 142.9
100 2 0 8 27.129 54.259 0.296 7.25 2 57.1 5.7
101 4 2 -6 27.448 54.895 0.299 7.06 4 30.8 3.2
102 6 0 -2 27.494 54.987 0.3 7.03 2 232.5 91.8
103 1 3 4 27.516 55.032 0.3 7.02 4 53.1 9.6
104 3 3 -1 27.606 55.213 0.301 6.97 4 225.3 170.9
105 3 1 -9 27.698 55.396 0.302 6.91 4 38.9 5.0
106 3 3 -2 27.707 55.413 0.302 6.91 4 12.9 0.6
107 4 2 3 27.738 55.476 0.302 6.89 4 63.5 13.4
108 1 3 -5 27.817 55.633 0.303 6.85 4 26.9 2.4
109 3 3 0 27.838 55.675 0.303 6.84 4 14.1 0.7
110 2 2 -8 27.893 55.787 0.304 6.8 4 33.9 3.8
111 6 0 -4 27.894 55.789 0.304 6.8 2 105.5 18.3
112 3 3 -3 28.136 56.272 0.306 6.67 4 101.2 33.0
113 0 2 8 28.256 56.512 0.307 6.61 4 26.7 2.3
114 5 1 3 28.324 56.648 0.308 6.57 4 34.1 3.7
115 2 0 -10 28.33 56.661 0.308 6.57 2 18.6 0.6
116 5 1 -7 28.336 56.672 0.308 6.57 4 59.4 11.2
117 3 3 1 28.395 56.789 0.309 6.53 4 114.3 41.2
118 6 0 0 28.413 56.826 0.309 6.53 2 82.6 10.8
119 3 1 7 28.734 57.468 0.312 6.36 4 27.8 2.4
120 4 0 6 28.791 57.582 0.313 6.33 2 43.6 2.9
121 3 3 -4 28.885 57.769 0.314 6.29 4 11.6 0.4
122 1 1 9 28.941 57.883 0.314 6.26 4 19.4 1.1
123 4 2 -7 29.052 58.104 0.315 6.21 4 37.0 4.1
124 1 3 5 29.116 58.233 0.316 6.17 4 52.1 8.1
125 0 0 10 29.204 58.408 0.317 6.13 2 103.5 15.9
126 3 3 2 29.266 58.532 0.317 6.1 4 11.1 0.4
127 2 2 7 29.346 58.692 0.318 6.07 4 6.7 0.1
128 4 2 4 29.394 58.787 0.319 6.04 4 54.6 8.7
129 1 3 -6 29.471 58.941 0.319 6.01 4 9.7 0.3
130 1 1 -10 29.554 59.107 0.32 5.97 4 3.6 0.0
131 6 0 -6 29.58 59.16 0.32 5.96 2 152.7 33.6
132 3 3 -5 29.938 59.875 0.324 5.8 4 106.9 32.0
133 5 1 4 30.085 60.169 0.325 5.74 4 22.7 1.4
134 5 1 -8 30.099 60.197 0.326 5.73 4 30.5 2.6
135 2 2 -9 30.365 60.729 0.328 5.62 4 8.7 0.2
136 3 1 -10 30.368 60.735 0.328 5.62 4 31.2 2.6
137 3 3 3 30.434 60.869 0.329 5.59 4 108.7 31.9
138 6 0 2 30.575 61.15 0.33 5.53 2 84.2 9.5
139 4 0 -10 30.83 61.661 0.333 5.43 2 96.2 12.1
140 4 2 -8 30.912 61.825 0.333 5.4 4 140.3 51.4
141 0 2 9 30.956 61.913 0.334 5.38 4 29.6 2.3
142 1 3 6 30.973 61.947 0.334 5.38 4 34.8 3.1
143 3 3 -6 31.277 62.554 0.337 5.26 4 10.6 0.3
144 4 2 5 31.301 62.603 0.337 5.25 4 20.7 1.1
145 1 3 -7 31.377 62.754 0.338 5.23 4 151.1 57.7
146 3 1 8 31.469 62.939 0.339 5.19 4 37.3 3.5
147 3 3 4 31.882 63.763 0.343 5.05 4 8.4 0.2
148 2 2 8 31.928 63.857 0.343 5.03 4 108.3 28.5
149 1 1 10 32.031 64.063 0.344 5.0 4 2.9 0.0
150 5 1 5 32.089 64.178 0.345 4.98 4 154.8 57.7
151 5 1 -9 32.105 64.209 0.345 4.97 4 43.9 4.6
152 6 2 -2 32.258 64.517 0.346 4.92 4 151.2 54.4
153 6 2 -3 32.29 64.58 0.347 4.91 4 23.1 1.3
154 0 4 0 32.395 64.79 0.348 4.87 2 162.7 31.2
155 6 0 -8 32.426 64.852 0.348 4.86 2 24.9 0.7
156 6 2 -1 32.529 65.057 0.349 4.83 4 30.5 2.2
157 0 4 1 32.546 65.091 0.349 4.83 4 3.8 0.0
158 6 2 -4 32.623 65.245 0.35 4.8 4 78.8 14.4
159 1 1 -11 32.67 65.339 0.35 4.79 4 138.9 44.6
160 3 3 -7 32.884 65.769 0.352 4.72 4 16.7 0.6
161 0 4 2 32.995 65.99 0.353 4.69 4 66.0 9.9
162 4 2 -9 33.009 66.019 0.354 4.68 4 34.9 2.8
163 2 2 -10 33.021 66.041 0.354 4.68 4 50.8 5.8
164 1 3 7 33.067 66.134 0.354 4.66 4 45.4 4.6
165 6 2 0 33.096 66.192 0.354 4.66 4 78.0 13.7
166 3 1 -11 33.203 66.405 0.355 4.62 4 11.0 0.3
167 6 2 -5 33.252 66.504 0.356 4.61 4 10.1 0.2
168 2 0 10 33.289 66.577 0.356 4.6 2 140.5 21.9
169 4 2 6 33.443 66.885 0.358 4.55 4 38.5 3.3
170 1 3 -8 33.516 67.033 0.358 4.53 4 18.5 0.7
171 3 3 5 33.591 67.181 0.359 4.51 4 20.4 0.9
172 7 1 -3 33.685 67.37 0.36 4.49 4 8.9 0.2
173 0 4 3 33.738 67.475 0.361 4.47 4 29.8 1.9
174 7 1 -2 33.772 67.544 0.361 4.46 4 46.2 4.6
175 5 3 -2 33.783 67.567 0.361 4.46 4 62.5 8.4
176 0 2 10 33.822 67.645 0.361 4.45 4 9.9 0.2
177 6 0 4 33.841 67.682 0.361 4.44 2 1.1 0.0
178 2 4 -1 33.881 67.761 0.362 4.43 4 47.1 4.7
179 7 1 -4 33.893 67.786 0.362 4.43 4 50.6 5.5
180 5 3 -1 33.93 67.859 0.362 4.42 4 4.8 0.0
181 5 3 -3 33.932 67.864 0.362 4.42 4 7.6 0.1
182 6 2 1 33.954 67.908 0.363 4.41 4 13.8 0.4
183 2 4 0 33.969 67.937 0.363 4.41 4 0.1 0.0
184 4 0 8 34.069 68.139 0.364 4.38 2 74.8 5.9
185 2 4 -2 34.087 68.174 0.364 4.38 4 6.9 0.1
186 7 1 -1 34.153 68.307 0.364 4.36 4 8.1 0.1
187 6 2 -6 34.169 68.338 0.365 4.35 4 100.8 21.4
188 5 1 6 34.321 68.642 0.366 4.31 4 35.3 2.6
189 5 1 -10 34.338 68.677 0.366 4.31 4 32.9 2.3
190 2 4 1 34.35 68.7 0.366 4.31 4 64.3 8.6
191 5 3 0 34.369 68.738 0.366 4.3 4 35.1 2.6
192 3 1 9 34.37 68.74 0.366 4.3 4 4.1 0.0
193 5 3 -4 34.373 68.747 0.366 4.3 4 7.8 0.1
194 7 1 -5 34.394 68.788 0.367 4.3 4 49.5 5.1
195 2 4 -3 34.585 69.171 0.368 4.25 4 16.6 0.6
196 2 0 -12 34.594 69.188 0.369 4.24 2 48.9 2.5
197 2 2 9 34.693 69.386 0.369 4.22 4 4.3 0.0
198 3 3 -8 34.744 69.488 0.37 4.21 4 4.3 0.0
199 0 4 4 34.764 69.528 0.37 4.2 4 99.8 20.2
200 7 1 0 34.824 69.648 0.371 4.19 4 7.3 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 0 0 2 5.6 11.2 7.8935 1486.1 100.0 100.0 5.6
2 0 0 4 11.255 22.509 3.94675 449.3 30.2 30.0 5.6
3 1 1 -3 11.53 23.06 3.85373 304.5 20.5 20.3 5.6
4 2 0 2 11.866 23.733 3.74597 197.8 13.3 13.2 5.6
5 2 0 -4 12.661 25.322 3.5144 19.4 1.3 1.3 5.6
6 1 1 3 13.098 26.197 3.39896 32.5 2.2 2.2 5.6
7 3 1 -1 15.478 30.956 2.88635 376.1 25.3 25.0 5.6
8 0 2 0 15.538 31.076 2.8755 171.2 11.5 11.4 5.6
9 0 2 1 15.8 31.6 2.82896 24.1 1.6 1.6 5.6
10 0 2 2 16.565 33.129 2.70181 26.1 1.8 1.7 5.6
11 3 1 1 16.705 33.41 2.67973 20.9 1.4 1.4 5.7
12 0 0 6 17.023 34.046 2.63117 32.7 2.2 2.2 5.7
13 2 0 -6 17.261 34.523 2.5959 22.0 1.5 1.5 5.7
14 3 1 -4 17.44 34.879 2.57017 106.2 7.1 7.0 5.7
15 0 2 3 17.774 35.548 2.52335 138.5 9.3 9.2 5.7
16 4 0 -2 17.946 35.893 2.4999 16.9 1.1 1.1 5.7
17 3 1 2 17.998 35.996 2.49295 101.6 6.8 6.7 5.7
18 2 2 -2 18.323 36.646 2.45018 192.8 13.0 12.7 5.7
19 4 0 0 18.495 36.989 2.42825 91.0 6.1 6.0 5.7
20 3 1 -5 18.958 37.916 2.37101 174.5 11.7 11.5 5.7
21 4 0 -4 19.214 38.427 2.34063 47.7 3.2 3.1 5.7
22 0 2 4 19.356 38.712 2.32408 132.5 8.9 8.7 5.7
23 3 1 3 19.65 39.299 2.29067 138.5 9.3 9.1 5.7
24 2 2 2 19.737 39.474 2.28096 107.4 7.2 7.1 5.7
25 2 2 -4 20.25 40.5 2.22549 71.7 4.8 4.7 5.7
26 4 0 2 20.736 41.471 2.17558 42.8 2.9 2.8 5.7
27 3 1 -6 20.794 41.587 2.16978 26.1 1.8 1.7 5.7
28 1 1 -7 20.927 41.854 2.15659 208.4 14.0 13.7 5.7
29 0 2 5 21.243 42.485 2.12597 28.6 1.9 1.9 5.7
30 2 0 6 21.445 42.891 2.10682 108.6 7.3 7.1 5.7
31 3 1 4 21.594 43.188 2.09299 18.3 1.2 1.2 5.7
32 4 0 -6 22.031 44.062 2.05349 19.7 1.3 1.3 5.7
33 2 0 -8 22.553 45.106 2.00834 33.0 2.2 2.2 5.7
34 2 2 4 22.804 45.607 1.98744 55.8 3.8 3.6 5.7
35 3 1 -7 22.888 45.777 1.98047 44.4 3.0 2.9 5.7
36 0 0 8 22.975 45.951 1.97337 17.3 1.2 1.1 5.7
37 1 1 7 23.121 46.241 1.96166 55.8 3.8 3.6 5.7
38 0 2 6 23.379 46.758 1.94116 48.4 3.3 3.2 5.7
39 2 2 -6 23.563 47.126 1.92687 52.2 3.5 3.4 5.7
40 3 1 5 23.779 47.557 1.9104 39.5 2.7 2.6 5.7
41 5 1 -3 24.203 48.406 1.87885 19.3 1.3 1.3 5.7
42 4 2 -3 24.426 48.852 1.86274 25.0 1.7 1.6 5.7
43 4 2 0 24.531 49.063 1.85524 40.0 2.7 2.6 5.7
44 5 1 0 24.742 49.484 1.84044 22.3 1.5 1.5 5.7
45 5 1 1 25.626 51.252 1.78101 22.1 1.5 1.4 5.8
46 4 0 -8 25.999 51.998 1.7572 93.6 6.3 6.1 5.8
47 1 1 -9 26.562 53.123 1.7226 15.2 1.0 1.0 5.8
48 2 2 6 26.952 53.904 1.69948 142.9 9.6 9.3 5.8
49 6 0 -2 27.494 54.987 1.66854 101.4 6.8 6.6 5.8
50 3 3 -1 27.606 55.213 1.66225 170.9 11.5 11.0 5.8
51 6 0 -4 27.894 55.789 1.64645 22.1 1.5 1.4 5.8
52 3 3 -3 28.136 56.272 1.63345 33.0 2.2 2.1 5.8
53 5 1 -7 28.336 56.672 1.62286 15.5 1.0 1.0 5.8
54 3 3 1 28.395 56.789 1.61979 52.0 3.5 3.4 5.8
55 0 0 10 29.204 58.408 1.5787 15.9 1.1 1.0 5.8
56 6 0 -6 29.58 59.16 1.56042 33.6 2.3 2.2 5.8
57 3 3 -5 29.938 59.875 1.54347 32.0 2.2 2.1 5.8
58 3 3 3 30.434 60.869 1.52064 31.9 2.1 2.0 5.8
59 4 2 -8 30.912 61.825 1.4994 51.4 3.5 3.3 5.8
60 1 3 -7 31.377 62.754 1.47942 57.7 3.9 3.7 5.9
61 2 2 8 31.928 63.857 1.45649 28.5 1.9 1.8 5.9
62 5 1 5 32.089 64.178 1.44998 62.3 4.2 4.0 5.9
63 6 2 -2 32.258 64.517 1.44318 54.4 3.7 3.5 5.9
64 0 4 0 32.395 64.79 1.43775 31.2 2.1 2.0 5.9
65 1 1 -11 32.67 65.339 1.42699 44.6 3.0 2.8 5.9
66 0 4 2 32.995 65.99 1.41448 18.5 1.2 1.2 5.9
67 6 2 0 33.096 66.192 1.41065 18.3 1.2 1.2 5.9
68 2 0 10 33.289 66.577 1.40343 21.9 1.5 1.4 5.9
69 6 2 -6 34.169 68.338 1.37149 21.4 1.4 1.4 5.9
70 0 4 4 34.764 69.528 1.35091 20.2 1.4 1.3 5.9
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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