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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GEIGERITE
1, f-picropharmarcolite, g-chudobaite
Mn(5)[H(2)O](8)[AsO(3)OH](2)[AsO(4)](2).2H(2)O
Triclinic P 1(-) Z = 1
R =0.028 NR =2567
3 .3 .1994
Ref.Str.:
Graeser S. et al. (1989)
* Amer. Mineral., 74, 676-684
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.944 alpha = 80.97
b = 10.961 beta = 84.2
c = 6.77 gamma = 81.85
Unit cell volume (cub. angs.) = 574.43
Molar volume ( cub.cm/mol.) = 346.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3697 0.3654 0.4034 0.0 As = 1.00
2 0.961 0.3335 0.0772 0.0 As = 1.00
3 0.0 0.0 0.0 0.0 Mn = 1.00
4 0.0827 0.5956 0.5992 0.0 Mn = 1.00
5 0.3617 0.4341 0.8915 0.0 Mn = 1.00
6 0.186 0.3051 0.3571 0.0 OH = 1.00
7 0.5037 0.2372 0.4864 0.0 O = 1.00
8 0.4383 0.4425 0.1821 0.0 O = 1.00
9 0.3152 0.4618 0.5776 0.0 O = 1.00
10 0.8827 0.1969 0.91 0.0 O = 1.00
11 0.952 0.4268 0.6984 0.0 O = 1.00
12 0.1677 0.3012 0.981 0.0 O = 1.00
13 0.8475 0.4094 0.1035 0.0 O = 1.00
14 0.1579 0.7851 0.5152 0.0 H(2)O = 1.00
15 0.5324 0.2478 0.8802 0.0 H(2)O = 1.00
16 0.0863 0.0436 0.2751 0.0 H(2)O = 1.00
17 0.2321 0.062 0.8384 0.0 H(2)O = 1.00
18 0.5542 0.9353 0.7572 0.0 H(2)O = 1.00
19 0.179 0.31 0.211 0.0 H = 1.00
20 0.27 0.778 0.543 0.0 H = 1.00
21 0.125 0.805 0.374 0.0 H = 1.00
22 0.527 0.227 0.766 0.0 H = 1.00
23 0.636 0.23 0.889 0.0 H = 1.00
24 0.032 0.074 0.371 0.0 H = 1.00
25 0.186 0.056 0.274 0.0 H = 1.00
26 0.333 0.033 0.809 0.0 H = 1.00
27 0.241 0.137 0.854 0.0 H = 1.00
28 0.528 0.896 0.68 0.0 H = 1.00
29 0.554 0.862 0.873 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3697 0.3654 0.4034
2 2 0.961 0.3335 0.0772
3 3 0.0 0.0 0.0
4 4 0.0827 0.5956 0.5992
5 5 0.3617 0.4341 0.8915
6 6 0.186 0.3051 0.3571
7 7 0.5037 0.2372 0.4864
8 8 0.4383 0.4425 0.1821
9 9 0.3152 0.4618 0.5776
10 10 0.8827 0.1969 0.91
11 11 0.952 0.4268 0.6984
12 12 0.1677 0.3012 0.981
13 13 0.8475 0.4094 0.1035
14 14 0.1579 0.7851 0.5152
15 15 0.5324 0.2478 0.8802
16 16 0.0863 0.0436 0.2751
17 17 0.2321 0.062 0.8384
18 18 0.5542 0.9353 0.7572
19 19 0.179 0.31 0.211
20 20 0.27 0.778 0.543
21 21 0.125 0.805 0.374
22 22 0.527 0.227 0.766
23 23 0.636 0.23 0.889
24 24 0.032 0.074 0.371
25 25 0.186 0.056 0.274
26 26 0.333 0.033 0.809
27 27 0.241 0.137 0.854
28 28 0.528 0.896 0.68
29 29 0.554 0.862 0.873
30 1 0.6303 0.6346 0.5966
31 2 0.039 0.6665 0.9228
32 4 0.9173 0.4044 0.4008
33 5 0.6383 0.5659 0.1085
34 6 0.814 0.6949 0.6429
35 7 0.4963 0.7628 0.5136
36 8 0.5617 0.5575 0.8179
37 9 0.6848 0.5382 0.4224
38 10 0.1173 0.8031 0.09
39 11 0.048 0.5732 0.3016
40 12 0.8323 0.6988 0.019
41 13 0.1525 0.5906 0.8965
42 14 0.8421 0.2149 0.4848
43 15 0.4676 0.7522 0.1198
44 16 0.9137 0.9564 0.7249
45 17 0.7679 0.938 0.1616
46 18 0.4458 0.0647 0.2428
47 19 0.821 0.69 0.789
48 20 0.73 0.222 0.457
49 21 0.875 0.195 0.626
50 22 0.473 0.773 0.234
51 23 0.364 0.77 0.111
52 24 0.968 0.926 0.629
53 25 0.814 0.944 0.726
54 26 0.667 0.967 0.191
55 27 0.759 0.863 0.146
56 28 0.472 0.104 0.32
57 29 0.446 0.138 0.127
X-ray density (g/cm cub.) = 2.99
MU (1/cm) = 313.051 Mass attenuation coefficient (cm**2/g) = 104.696
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 As 2.628 4
1.7594 6
1.6948 7
1.6804 8
1.6891 9
2 As 2.628 4
2.2019 10
2.6116 11
1.7138 12
1.1568 13
3 Mn 2.892 6
2.2426 10
2.1903 16
2.1846 17
2.2426 10
2.1903 16
2.1846 17
4 Mn 2.892 6
2.1973 9
2.2285 11
2.2152 14
2.2679 6
2.1171 11
2.1316 13
5 Mn 2.892 6
2.1363 8
2.1608 9
2.2439 12
2.2929 15
2.2 8
2.2145 13
6 OH 3.48 10
2.7202 7
2.7395 8
2.8011 9
3.1576 11
2.5723 12
3.3062 13
3.2223 16
2.9668 11
3.0346 14
3.2522 18
7 O 3.432 6
2.7202 6
2.8297 8
2.8159 9
2.7204 15
2.6637 14
2.808 18
8 O 3.432 11
2.7395 6
2.8297 7
2.7857 9
3.3273 12
3.2184 13
3.1462 15
2.7414 8
3.0567 9
3.3042 11
3.2226 13
3.3927 15
9 O 3.432 10
2.8011 6
2.8159 7
2.7857 8
2.9798 11
3.2186 12
3.2764 15
3.0567 8
3.1974 9
2.973 11
2.8636 13
10 O 3.432 9
2.7939 11
2.7911 12
2.814 13
2.781 15
3.2066 16
2.9858 17
2.9018 14
3.0611 16
3.2694 17
11 O 3.432 11
3.1576 6
2.9798 9
2.7939 10
2.7674 12
2.769 13
2.9668 6
3.3042 8
2.973 9
2.9921 11
3.0915 13
3.1831 14
12 O 3.432 10
2.5723 6
3.3273 8
3.2186 9
2.7911 10
2.7674 11
2.7553 13
2.9064 15
3.2936 16
2.8952 17
3.1209 13
13 O 3.432 11
3.3062 6
3.2184 8
2.814 10
2.769 11
2.7553 12
3.2226 8
2.8636 9
3.0915 11
3.1209 12
3.4035 13
3.08 14
14 H(2)O 3.6 9
3.5607 9
3.046 16
3.0346 6
2.6637 7
2.9018 10
3.1831 11
3.08 13
3.474 15
2.9243 16
15 H(2)O 3.6 9
2.7204 7
3.1462 8
3.2764 9
2.781 10
2.9064 12
3.4079 17
3.3927 8
3.474 14
3.0051 18
16 H(2)O 3.6 10
3.2223 6
3.2066 10
3.2936 12
3.046 14
3.0512 17
3.0611 10
2.9243 14
3.2681 16
3.1353 17
2.8814 18
17 H(2)O 3.6 9
3.5666 7
2.9858 10
2.8952 12
3.4079 15
3.0512 16
2.7796 18
3.2694 10
3.1353 16
3.3701 18
18 H(2)O 3.6 8
3.5129 7
2.7796 17
3.2522 6
2.808 7
3.5309 12
3.0051 15
2.8814 16
3.3701 17
19 H 1.8 2
0.9889 6
1.5874 12
20 H 1.8 2
0.9188 14
1.7755 7
21 H 1.8 1
0.9993 14
22 H 1.8 1
0.8464 15
23 H 1.8 1
0.8244 15
24 H 1.8 1
0.8302 16
25 H 1.8 1
0.8215 16
26 H 1.8 1
0.8358 17
27 H 1.8 1
0.8586 17
28 H 1.8 1
0.7875 18
29 H 1.8 1
1.0308 18
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 1 0 4.114 8.229 0.047 385.53 2 135.4 4285.0
2 1 0 0 5.64 11.279 0.064 204.12 2 55.0 374.5
3 1 1 0 6.547 13.093 0.074 150.9 2 15.3 21.3
4 0 0 1 6.637 13.274 0.075 146.75 2 30.7 83.6
5 0 1 1 7.291 14.582 0.082 121.23 2 22.6 37.4
6 -1 1 0 7.405 14.811 0.084 117.44 2 41.1 120.2
7 0 2 0 8.25 16.5 0.093 94.19 2 23.3 30.9
8 0 -1 1 8.314 16.628 0.094 92.71 2 84.8 403.8
9 1 0 1 8.369 16.739 0.094 91.46 2 61.2 207.8
10 1 1 1 8.554 17.108 0.097 87.46 2 15.5 12.8
11 -1 0 1 9.07 18.139 0.102 77.56 2 55.1 142.9
12 1 2 0 9.393 18.786 0.106 72.16 2 35.1 53.9
13 0 2 1 9.83 19.66 0.111 65.7 2 76.7 234.5
14 -1 1 1 9.873 19.746 0.111 65.11 2 0.5 0.0
15 1 -1 1 10.065 20.13 0.113 62.57 2 10.3 4.0
16 -1 -1 1 10.073 20.146 0.114 62.46 2 71.0 191.1
17 1 2 1 10.524 21.048 0.119 57.05 2 0.1 0.0
18 -1 2 0 10.604 21.208 0.119 56.16 2 40.7 56.5
19 2 0 0 11.335 22.67 0.128 48.88 2 97.5 281.6
20 0 -2 1 11.353 22.707 0.128 48.72 2 48.7 69.9
21 2 1 0 11.561 23.122 0.13 46.91 2 105.8 318.0
22 -1 2 1 12.143 24.286 0.137 42.32 2 14.3 5.3
23 0 3 0 12.43 24.86 0.14 40.3 2 116.4 331.1
24 -1 -2 1 12.471 24.941 0.14 40.02 2 124.7 377.5
25 -2 1 0 12.574 25.148 0.141 39.33 2 120.8 347.7
26 2 1 1 12.583 25.166 0.141 39.27 2 68.8 112.8
27 2 0 1 12.699 25.399 0.143 38.52 2 74.1 128.2
28 1 -2 1 12.947 25.893 0.145 36.99 2 12.9 3.7
29 1 3 0 12.995 25.99 0.146 36.69 2 13.7 4.2
30 2 2 0 13.181 26.361 0.148 35.61 2 142.9 440.9
31 0 3 1 13.244 26.487 0.149 35.25 2 11.9 3.0
32 0 0 2 13.366 26.731 0.15 34.58 2 88.9 165.7
33 0 1 2 13.409 26.819 0.151 34.34 2 23.1 11.1
34 1 3 1 13.549 27.099 0.152 33.59 2 64.7 85.1
35 -2 0 1 13.645 27.29 0.153 33.09 2 10.6 2.3
36 2 2 1 13.799 27.597 0.155 32.32 2 2.6 0.1
37 1 1 2 13.932 27.864 0.156 31.66 2 63.8 78.1
38 1 0 2 14.11 28.22 0.158 30.82 2 117.8 259.4
39 2 -1 1 14.117 28.235 0.158 30.79 2 21.4 8.6
40 -2 -1 1 14.129 28.258 0.158 30.73 2 24.7 11.3
41 -1 3 0 14.348 28.696 0.161 29.74 2 131.9 313.9
42 -2 1 1 14.42 28.839 0.162 29.43 2 33.1 19.6
43 0 -1 2 14.582 29.165 0.163 28.73 2 116.2 235.2
44 0 2 2 14.703 29.406 0.165 28.23 2 87.7 131.5
45 -2 2 0 14.938 29.876 0.167 27.29 2 134.9 300.8
46 -1 0 2 14.974 29.947 0.168 27.15 2 28.7 13.6
47 1 2 2 14.979 29.957 0.168 27.13 2 110.4 200.5
48 0 -3 1 14.989 29.979 0.168 27.09 2 67.2 74.0
49 -1 1 2 15.219 30.437 0.17 26.22 2 21.4 7.3
50 -1 3 1 15.273 30.547 0.171 26.02 2 120.1 227.3
51 1 -1 2 15.475 30.95 0.173 25.3 2 25.1 9.6
52 -1 -3 1 15.671 31.342 0.175 24.62 2 96.9 140.2
53 -2 -2 1 15.765 31.53 0.176 24.3 2 26.6 10.4
54 2 3 0 15.798 31.596 0.177 24.19 2 184.7 500.5
55 -1 -1 2 15.883 31.767 0.178 23.91 2 110.7 177.7
56 2 3 1 16.068 32.137 0.18 23.32 2 37.0 19.4
57 -2 2 1 16.289 32.577 0.182 22.65 2 17.5 4.2
58 1 -3 1 16.445 32.89 0.184 22.18 2 67.7 61.6
59 2 -2 1 16.53 33.06 0.185 21.94 2 58.2 45.1
60 -1 2 2 16.572 33.145 0.185 21.82 2 33.0 14.4
61 2 1 2 16.585 33.17 0.185 21.78 2 80.0 84.5
62 0 4 0 16.678 33.356 0.186 21.52 2 46.6 28.3
63 0 -2 2 16.81 33.62 0.188 21.15 2 13.3 2.3
64 2 0 2 16.924 33.848 0.189 20.84 2 32.2 13.1
65 1 4 0 16.929 33.859 0.189 20.83 2 55.9 39.5
66 0 3 2 16.987 33.974 0.19 20.67 2 90.8 103.3
67 1 3 2 17.046 34.092 0.19 20.52 2 91.3 103.7
68 0 4 1 17.065 34.13 0.19 20.47 2 25.6 8.2
69 3 1 0 17.119 34.238 0.191 20.33 2 26.2 8.4
70 1 4 1 17.126 34.252 0.191 20.31 2 16.4 3.3
71 3 0 0 17.147 34.293 0.191 20.26 2 56.4 39.1
72 2 2 2 17.307 34.613 0.193 19.85 2 43.2 22.5
73 3 1 1 17.668 35.335 0.197 18.98 2 0.7 0.0
74 1 -2 2 17.78 35.56 0.198 18.72 2 79.6 71.8
75 -1 -2 2 17.789 35.579 0.198 18.69 2 42.5 20.5
76 3 0 1 17.931 35.862 0.2 18.37 2 1.3 0.0
77 -2 3 0 18.03 36.061 0.201 18.15 2 68.1 51.0
78 3 2 0 18.114 36.229 0.202 17.97 2 45.3 22.3
79 -3 1 0 18.194 36.387 0.203 17.8 2 107.7 125.0
80 2 -1 2 18.273 36.546 0.204 17.63 2 55.7 33.1
81 -2 -3 1 18.276 36.553 0.204 17.62 2 42.4 19.2
82 -1 4 0 18.363 36.726 0.204 17.44 2 25.0 6.6
83 -2 0 2 18.377 36.754 0.205 17.41 2 78.5 65.0
84 3 2 1 18.409 36.818 0.205 17.34 2 13.0 1.8
85 -2 1 2 18.753 37.505 0.209 16.65 2 107.9 117.5
86 -1 3 2 18.823 37.645 0.209 16.51 2 21.1 4.4
87 -1 4 1 18.892 37.783 0.21 16.38 2 50.0 24.8
88 0 -4 1 18.938 37.876 0.211 16.29 2 100.7 100.2
89 -2 3 1 18.965 37.93 0.211 16.24 2 32.3 10.3
90 -2 -1 2 18.975 37.951 0.211 16.22 2 25.0 6.1
91 -3 0 1 18.979 37.958 0.211 16.21 2 50.0 24.5
92 2 3 2 18.984 37.967 0.211 16.2 2 52.0 26.6
93 2 4 0 19.051 38.101 0.212 16.08 2 95.0 87.9
94 2 4 1 19.059 38.118 0.212 16.06 2 70.2 48.0
95 3 -1 1 19.163 38.326 0.213 15.87 2 35.2 11.9
96 -3 -1 1 19.177 38.353 0.213 15.85 2 104.9 105.6
97 -1 -4 1 19.332 38.665 0.215 15.57 2 26.0 6.4
98 2 -3 1 19.616 39.232 0.218 15.07 2 136.3 169.6
99 -3 1 1 19.727 39.455 0.219 14.88 2 15.7 2.2
100 0 -3 2 19.749 39.498 0.219 14.85 2 8.1 0.6
101 1 4 2 19.855 39.709 0.22 14.67 2 69.9 43.5
102 0 4 2 19.965 39.93 0.222 14.49 2 40.3 14.3
103 3 3 0 20.001 40.001 0.222 14.43 2 43.5 16.5
104 -2 2 2 20.056 40.111 0.223 14.35 2 59.8 31.1
105 3 3 1 20.059 40.119 0.223 14.34 2 18.5 3.0
106 0 1 3 20.107 40.213 0.223 14.27 2 65.8 37.4
107 -3 2 0 20.122 40.244 0.223 14.24 2 89.1 68.6
108 0 0 3 20.288 40.577 0.225 13.98 2 5.3 0.2
109 -3 -2 1 20.296 40.593 0.225 13.97 2 14.9 1.9
110 1 -4 1 20.302 40.604 0.225 13.96 2 33.1 9.3
111 1 1 3 20.315 40.63 0.225 13.94 2 107.2 97.0
112 -1 -3 2 20.45 40.901 0.227 13.74 2 16.5 2.3
113 2 -2 2 20.458 40.917 0.227 13.73 2 29.5 7.2
114 -2 -2 2 20.475 40.951 0.227 13.7 2 43.9 16.0
115 3 1 2 20.643 41.287 0.229 13.45 2 23.9 4.7
116 1 0 3 20.653 41.305 0.229 13.44 2 115.8 109.2
117 1 -3 2 20.756 41.513 0.23 13.29 2 92.6 69.1
118 0 2 3 20.827 41.654 0.231 13.19 2 131.0 137.2
119 1 2 3 20.874 41.749 0.231 13.12 2 139.7 155.1
120 0 5 0 21.023 42.046 0.233 12.92 2 79.9 50.0
121 1 5 1 21.035 42.07 0.233 12.9 2 76.4 45.7
122 1 5 0 21.076 42.152 0.233 12.84 2 3.7 0.1
123 3 0 2 21.08 42.161 0.233 12.84 2 55.1 23.6
124 3 2 2 21.092 42.185 0.234 12.82 2 4.0 0.1
125 0 5 1 21.138 42.276 0.234 12.76 2 19.0 2.8
126 3 -2 1 21.221 42.442 0.235 12.65 2 20.0 3.1
127 -3 2 1 21.338 42.676 0.236 12.49 2 20.2 3.1
128 0 -1 3 21.354 42.708 0.236 12.47 2 70.9 38.0
129 -2 -4 1 21.403 42.806 0.237 12.41 2 78.8 46.7
130 2 4 2 21.425 42.851 0.237 12.38 2 7.2 0.4
131 -1 1 3 21.568 43.136 0.239 12.19 2 8.6 0.5
132 -1 0 3 21.589 43.178 0.239 12.17 2 32.4 7.7
133 -2 4 0 21.595 43.189 0.239 12.16 2 83.7 51.6
134 -1 4 2 21.735 43.47 0.24 11.98 2 1.1 0.0
135 1 -1 3 21.853 43.707 0.242 11.84 2 27.6 5.5
136 -2 3 2 22.15 44.3 0.245 11.49 2 20.4 2.9
137 2 1 3 22.154 44.308 0.245 11.48 2 64.7 29.1
138 -2 4 1 22.208 44.417 0.245 11.42 2 47.0 15.3
139 -3 -3 1 22.223 44.446 0.246 11.4 2 50.6 17.7
140 1 3 3 22.276 44.551 0.246 11.34 2 4.8 0.2
141 3 -1 2 22.361 44.723 0.247 11.24 2 41.8 11.9
142 0 3 3 22.378 44.756 0.247 11.22 2 39.6 10.6
143 3 3 2 22.384 44.769 0.247 11.22 2 163.7 182.1
144 -1 2 3 22.397 44.794 0.247 11.2 2 37.2 9.4
145 3 4 1 22.452 44.904 0.248 11.14 2 49.1 16.3
146 -1 -1 3 22.458 44.916 0.248 11.13 2 48.3 15.7
147 2 2 3 22.531 45.062 0.249 11.05 2 79.5 42.4
148 2 5 1 22.54 45.08 0.249 11.04 2 19.2 2.5
149 -1 5 0 22.576 45.152 0.249 11.0 2 29.1 5.7
150 3 4 0 22.593 45.186 0.249 10.98 2 59.7 23.8
151 2 0 3 22.616 45.231 0.25 10.96 2 88.0 51.4
152 2 5 0 22.727 45.453 0.251 10.84 2 15.3 1.5
153 -2 -3 2 22.73 45.459 0.251 10.84 2 70.4 32.5
154 -3 3 0 22.747 45.494 0.251 10.82 2 76.6 38.4
155 -1 5 1 22.832 45.664 0.252 10.73 2 16.7 1.8
156 -3 0 2 22.894 45.788 0.253 10.66 2 16.8 1.8
157 4 1 0 22.982 45.963 0.253 10.57 2 136.0 118.5
158 0 -5 1 23.111 46.221 0.255 10.44 2 91.9 53.4
159 4 0 0 23.147 46.294 0.255 10.4 2 53.8 18.3
160 2 -4 1 23.166 46.331 0.255 10.38 2 7.0 0.3
161 0 -4 2 23.186 46.373 0.256 10.36 2 35.2 7.8
162 1 5 2 23.191 46.381 0.256 10.35 2 49.5 15.4
163 0 -2 3 23.204 46.407 0.256 10.34 2 105.6 69.9
164 -3 -1 2 23.254 46.508 0.256 10.29 2 58.1 21.1
165 4 1 1 23.27 46.54 0.256 10.27 2 5.6 0.2
166 2 -3 2 23.29 46.579 0.257 10.25 2 26.8 4.5
167 -1 -5 1 23.305 46.61 0.257 10.24 2 72.6 32.7
168 -3 1 2 23.351 46.703 0.257 10.19 2 4.0 0.1
169 0 5 2 23.43 46.861 0.258 10.12 2 61.6 23.3
170 4 0 1 23.622 47.243 0.26 9.93 2 103.3 64.2
171 4 2 0 23.629 47.259 0.26 9.92 2 71.3 30.6
172 -1 -4 2 23.665 47.329 0.261 9.89 2 75.9 34.5
173 -3 3 1 23.669 47.337 0.261 9.89 2 68.6 28.2
174 2 3 3 23.714 47.429 0.261 9.84 2 92.3 50.8
175 4 2 1 23.725 47.45 0.261 9.83 2 19.7 2.3
176 1 -2 3 23.813 47.626 0.262 9.75 2 0.5 0.0
177 2 -1 3 23.877 47.754 0.263 9.69 2 30.4 5.4
178 3 -3 1 23.934 47.868 0.263 9.64 2 19.5 2.2
179 -1 3 3 24.006 48.013 0.264 9.57 2 45.7 12.1
180 -1 -2 3 24.103 48.206 0.265 9.49 2 77.2 34.3
181 -4 1 0 24.113 48.225 0.265 9.48 2 31.7 5.8
182 1 -4 2 24.216 48.431 0.266 9.39 2 9.3 0.5
183 -2 0 3 24.339 48.677 0.268 9.28 2 44.1 10.9
184 3 -2 2 24.381 48.762 0.268 9.24 2 68.6 26.4
185 -3 -2 2 24.403 48.807 0.268 9.22 2 73.8 30.4
186 1 4 3 24.404 48.808 0.268 9.22 2 34.1 6.5
187 3 4 2 24.413 48.827 0.268 9.21 2 77.7 33.7
188 1 -5 1 24.421 48.841 0.268 9.21 2 45.7 11.7
189 2 5 2 24.453 48.905 0.269 9.18 2 52.7 15.5
190 -2 1 3 24.457 48.914 0.269 9.18 2 33.5 6.2
191 -3 2 2 24.591 49.182 0.27 9.06 2 15.7 1.3
192 0 4 3 24.637 49.273 0.271 9.03 2 65.2 23.2
193 -4 0 1 24.745 49.489 0.272 8.94 2 4.4 0.1
194 4 -1 1 24.754 49.509 0.272 8.93 2 65.7 23.4
195 -4 -1 1 24.769 49.538 0.272 8.92 2 43.5 10.2
196 -3 -4 1 24.809 49.618 0.272 8.88 2 152.0 124.4
197 -2 4 2 24.879 49.759 0.273 8.83 2 87.9 41.3
198 4 3 1 24.954 49.909 0.274 8.77 2 87.8 41.0
199 -2 -5 1 24.976 49.952 0.274 8.75 2 0.8 0.0
200 -2 -1 3 24.999 49.998 0.274 8.73 2 81.2 34.9
201 4 3 0 25.042 50.084 0.275 8.7 2 41.7 9.2
202 -1 5 2 25.139 50.278 0.276 8.62 2 28.4 4.2
203 1 6 1 25.197 50.395 0.276 8.58 2 107.3 59.8
204 3 1 3 25.341 50.683 0.278 8.46 2 53.0 14.4
205 -2 2 3 25.346 50.692 0.278 8.46 2 125.9 81.3
206 1 6 0 25.411 50.822 0.279 8.41 2 78.0 31.1
207 0 6 1 25.421 50.842 0.279 8.4 2 1.4 0.0
208 3 5 1 25.428 50.856 0.279 8.4 2 6.1 0.2
209 -4 1 1 25.488 50.976 0.279 8.35 2 19.8 2.0
210 0 6 0 25.499 50.997 0.279 8.35 2 20.2 2.1
211 -2 5 0 25.504 51.008 0.279 8.34 2 40.4 8.3
212 3 2 3 25.549 51.098 0.28 8.31 2 34.9 6.1
213 -4 -2 1 25.559 51.118 0.28 8.3 2 15.0 1.1
214 4 1 2 25.58 51.16 0.28 8.29 2 24.9 3.1
215 -2 -4 2 25.587 51.173 0.28 8.28 2 12.4 0.8
216 2 4 3 25.619 51.239 0.281 8.26 2 73.2 26.8
217 0 -3 3 25.709 51.418 0.282 8.19 2 85.7 36.5
218 3 5 0 25.733 51.466 0.282 8.17 2 12.3 0.7
219 -4 2 0 25.81 51.621 0.283 8.12 2 39.6 7.7
220 4 2 2 25.83 51.66 0.283 8.1 2 59.5 17.4
221 2 -2 3 25.85 51.7 0.283 8.09 2 32.9 5.3
222 -2 5 1 25.872 51.743 0.283 8.07 2 58.6 16.8
223 3 0 3 25.891 51.782 0.283 8.06 2 90.2 39.8
224 -3 4 0 25.912 51.825 0.284 8.05 2 51.6 13.0
225 4 0 2 26.083 52.165 0.285 7.93 2 8.7 0.4
226 -3 -3 2 26.265 52.529 0.287 7.8 2 44.9 9.5
227 -1 4 3 26.289 52.577 0.287 7.79 2 45.3 9.7
228 2 6 1 26.389 52.779 0.289 7.72 2 18.3 1.6
229 -2 -2 3 26.395 52.789 0.289 7.71 2 4.2 0.1
230 1 -3 3 26.405 52.809 0.289 7.71 2 5.4 0.1
231 -1 -3 3 26.415 52.83 0.289 7.7 2 109.4 55.9
232 3 3 3 26.502 53.004 0.29 7.64 2 61.7 17.7
233 -3 3 2 26.531 53.062 0.29 7.62 2 58.7 15.9
234 -3 4 1 26.58 53.16 0.29 7.59 2 53.1 13.0
235 4 -2 1 26.594 53.188 0.291 7.58 2 7.9 0.3
236 2 -4 2 26.621 53.242 0.291 7.57 2 110.9 56.4
237 2 6 0 26.727 53.454 0.292 7.5 2 61.2 17.0
238 4 3 2 26.818 53.636 0.293 7.44 2 28.8 3.7
239 4 4 1 26.879 53.758 0.293 7.4 2 16.7 1.2
240 1 6 2 26.928 53.855 0.294 7.37 2 57.9 15.0
241 -2 3 3 26.95 53.901 0.294 7.36 2 90.4 36.5
242 -4 2 1 26.953 53.907 0.294 7.36 2 8.4 0.3
243 -1 6 0 26.98 53.959 0.294 7.34 2 38.6 6.6
244 0 -5 2 27.003 54.006 0.295 7.32 2 4.1 0.1
245 3 -3 2 27.019 54.038 0.295 7.32 2 11.8 0.6
246 -1 6 1 27.035 54.069 0.295 7.31 2 108.8 52.4
247 3 5 2 27.059 54.117 0.295 7.29 2 6.8 0.2
248 -4 -3 1 27.067 54.134 0.295 7.29 2 22.1 2.2
249 2 -5 1 27.07 54.141 0.295 7.28 2 25.6 2.9
250 4 4 0 27.132 54.264 0.296 7.25 2 107.4 50.7
251 1 5 3 27.136 54.271 0.296 7.24 2 22.6 2.2
252 3 -4 1 27.165 54.33 0.296 7.23 2 4.4 0.1
253 3 -1 3 27.165 54.33 0.296 7.23 2 33.7 5.0
254 0 1 4 27.225 54.449 0.297 7.19 2 122.4 65.3
255 1 1 4 27.262 54.523 0.297 7.17 2 48.7 10.3
256 0 6 2 27.27 54.54 0.297 7.16 2 96.3 40.2
257 -1 -5 2 27.305 54.611 0.298 7.14 2 23.2 2.3
258 4 -1 2 27.309 54.618 0.298 7.14 2 81.9 29.0
259 0 5 3 27.478 54.956 0.3 7.04 2 114.1 55.6
260 0 -6 1 27.492 54.983 0.3 7.03 2 85.7 31.3
261 -1 -6 1 27.537 55.074 0.3 7.01 2 135.7 78.2
262 0 0 4 27.538 55.075 0.3 7.01 2 84.5 30.3
263 1 2 4 27.544 55.088 0.3 7.0 2 36.7 5.7
264 0 2 4 27.634 55.267 0.301 6.95 2 26.1 2.9
265 1 0 4 27.7 55.4 0.302 6.91 2 28.9 3.5
266 -3 -5 1 27.929 55.857 0.304 6.78 2 107.4 47.4
267 2 6 2 27.941 55.883 0.304 6.78 2 114.2 53.6
268 1 -5 2 28.054 56.107 0.305 6.72 2 52.0 11.0
269 -2 5 2 28.12 56.239 0.306 6.68 2 123.7 61.9
270 2 5 3 28.143 56.285 0.306 6.67 2 57.5 13.4
271 3 4 3 28.147 56.293 0.306 6.67 2 99.4 39.9
272 -4 3 0 28.147 56.294 0.306 6.67 2 13.0 0.7
273 -4 0 2 28.152 56.304 0.306 6.66 2 21.3 1.8
274 -3 0 3 28.223 56.445 0.307 6.63 2 20.4 1.7
275 -4 -1 2 28.339 56.678 0.308 6.56 2 105.1 43.9
276 2 -3 3 28.431 56.861 0.309 6.52 2 114.3 51.6
277 -2 -3 3 28.451 56.901 0.309 6.51 2 43.6 7.5
278 -3 1 3 28.453 56.906 0.309 6.5 2 1.3 0.0
279 4 4 2 28.491 56.981 0.31 6.49 2 85.7 28.9
280 -1 1 4 28.527 57.054 0.31 6.47 2 23.9 2.2
281 1 3 4 28.533 57.066 0.31 6.46 2 46.5 8.5
282 0 -1 4 28.556 57.112 0.31 6.45 2 91.9 33.0
283 2 1 4 28.635 57.269 0.311 6.41 2 11.5 0.5
284 -4 1 2 28.67 57.341 0.311 6.39 2 39.7 6.1
285 -3 -1 3 28.697 57.393 0.312 6.38 2 96.1 35.7
286 -1 0 4 28.708 57.416 0.312 6.37 2 6.9 0.2
287 -3 -4 2 28.742 57.485 0.312 6.36 2 66.3 16.9
288 0 3 4 28.744 57.487 0.312 6.36 2 13.4 0.7
289 0 -4 3 28.755 57.51 0.312 6.35 2 26.0 2.6
290 1 -6 1 28.778 57.556 0.312 6.34 2 35.9 4.9
291 2 2 4 28.786 57.571 0.313 6.34 2 116.9 52.5
292 1 -1 4 28.838 57.676 0.313 6.31 2 2.7 0.0
293 3 6 1 28.873 57.746 0.313 6.29 2 19.1 1.4
294 -2 -6 1 28.909 57.819 0.314 6.27 2 27.2 2.8
295 -2 -5 2 28.932 57.864 0.314 6.26 2 36.2 5.0
296 -1 6 2 28.936 57.872 0.314 6.26 2 1.0 0.0
297 -1 2 4 29.046 58.092 0.315 6.21 2 96.3 34.9
298 4 -3 1 29.05 58.099 0.315 6.21 2 96.2 34.8
299 -4 3 1 29.066 58.131 0.315 6.2 2 103.1 40.0
300 -3 4 2 29.077 58.153 0.315 6.19 2 50.4 9.5
301 3 -2 3 29.1 58.199 0.316 6.18 2 28.7 3.1
302 -1 5 3 29.138 58.276 0.316 6.16 2 30.0 3.4
303 5 1 0 29.169 58.339 0.316 6.15 2 73.6 20.2
304 2 0 4 29.181 58.363 0.316 6.14 2 37.7 5.3
305 -2 4 3 29.189 58.379 0.317 6.14 2 50.2 9.4
306 4 -2 2 29.197 58.394 0.317 6.14 2 79.4 23.4
307 -4 -4 1 29.217 58.435 0.317 6.13 2 4.2 0.1
308 -4 -2 2 29.223 58.446 0.317 6.12 2 83.8 26.1
309 -1 -4 3 29.29 58.58 0.318 6.09 2 12.9 0.6
310 5 1 1 29.29 58.581 0.318 6.09 2 10.2 0.4
311 3 6 0 29.315 58.629 0.318 6.08 2 52.0 10.0
312 -3 2 3 29.378 58.755 0.318 6.05 2 31.4 3.6
313 4 5 1 29.408 58.815 0.319 6.04 2 39.2 5.6
314 5 0 0 29.43 58.861 0.319 6.03 2 28.6 3.0
315 -3 5 0 29.516 59.032 0.32 5.99 2 34.9 4.4
316 1 -4 3 29.522 59.044 0.32 5.99 2 46.6 7.9
317 5 2 1 29.559 59.117 0.32 5.97 2 7.7 0.2
318 4 1 3 29.568 59.135 0.32 5.96 2 16.6 1.0
319 -1 -1 4 29.58 59.16 0.32 5.96 2 87.3 27.5
320 5 2 0 29.599 59.198 0.321 5.95 2 120.3 52.2
321 1 7 1 29.599 59.198 0.321 5.95 2 25.7 2.4
322 2 3 4 29.628 59.255 0.321 5.94 2 44.3 7.1
323 4 2 3 29.635 59.27 0.321 5.93 2 20.0 1.4
324 -2 6 0 29.71 59.421 0.322 5.9 2 26.0 2.4
325 5 0 1 29.711 59.422 0.322 5.9 2 47.1 7.9
326 4 5 0 29.806 59.612 0.323 5.86 2 91.5 29.7
327 -3 -2 3 29.854 59.708 0.323 5.84 2 80.2 22.7
328 -4 2 2 29.871 59.741 0.323 5.83 2 124.6 54.9
329 -2 6 1 29.884 59.767 0.323 5.82 2 102.8 37.3
330 0 7 1 29.92 59.839 0.324 5.81 2 50.4 8.9
331 1 7 0 29.95 59.901 0.324 5.79 2 4.7 0.1
332 -3 5 1 29.971 59.942 0.324 5.79 2 105.6 39.1
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 1 0 4.114 8.229 10.73591 4285.0 100.0 100.0 5.6
2 1 0 0 5.64 11.279 7.83818 374.5 8.7 8.7 5.6
3 0 0 1 6.637 13.274 6.66434 83.6 2.0 1.9 5.6
4 -1 1 0 7.405 14.811 5.97631 120.2 2.8 2.8 5.6
5 0 -1 1 8.314 16.628 5.32699 403.8 9.4 9.4 5.6
6 1 0 1 8.369 16.739 5.2921 207.8 4.8 4.8 5.6
7 -1 0 1 9.07 18.139 4.88655 142.9 3.3 3.3 5.6
8 1 2 0 9.393 18.786 4.71982 53.9 1.3 1.3 5.6
9 0 2 1 9.83 19.66 4.51186 234.5 5.5 5.4 5.6
10 -1 -1 1 10.073 20.146 4.40406 195.1 4.6 4.5 5.6
11 -1 2 0 10.604 21.208 4.18589 56.5 1.3 1.3 5.6
12 2 0 0 11.335 22.67 3.91909 351.5 8.2 8.1 5.6
13 2 1 0 11.561 23.122 3.84353 318.0 7.4 7.4 5.6
14 0 3 0 12.43 24.86 3.57864 331.1 7.7 7.6 5.6
15 -1 -2 1 12.471 24.941 3.56714 377.5 8.8 8.7 5.6
16 -2 1 0 12.574 25.148 3.53831 460.5 10.7 10.6 5.6
17 2 0 1 12.699 25.399 3.50391 128.2 3.0 3.0 5.6
18 2 2 0 13.181 26.361 3.37812 440.9 10.3 10.2 5.6
19 0 0 2 13.366 26.731 3.33217 165.7 3.9 3.8 5.6
20 1 3 1 13.549 27.099 3.28781 85.1 2.0 2.0 5.6
21 1 1 2 13.932 27.864 3.19927 78.1 1.8 1.8 5.6
22 1 0 2 14.11 28.22 3.15964 279.3 6.5 6.4 5.6
23 -1 3 0 14.348 28.696 3.10838 313.9 7.3 7.2 5.6
24 0 -1 2 14.582 29.165 3.05944 235.2 5.5 5.4 5.6
25 0 2 2 14.703 29.406 3.03485 131.5 3.1 3.0 5.6
26 -2 2 0 14.938 29.876 2.98816 300.8 7.0 6.9 5.6
27 0 -3 1 14.989 29.979 2.97818 288.1 6.7 6.6 5.6
28 -1 3 1 15.273 30.547 2.92409 227.3 5.3 5.2 5.6
29 -1 -3 1 15.671 31.342 2.85166 140.2 3.3 3.2 5.6
30 2 3 0 15.798 31.596 2.82935 500.5 11.7 11.5 5.6
31 -1 -1 2 15.883 31.767 2.81451 177.7 4.1 4.1 5.6
32 1 -3 1 16.445 32.89 2.72093 61.6 1.4 1.4 5.6
33 2 -2 1 16.53 33.06 2.70732 45.1 1.1 1.0 5.6
34 2 1 2 16.585 33.17 2.69863 98.9 2.3 2.3 5.6
35 1 4 0 16.929 33.859 2.64525 52.6 1.2 1.2 5.7
36 0 3 2 16.987 33.974 2.63653 103.3 2.4 2.4 5.7
37 1 3 2 17.046 34.092 2.62771 111.8 2.6 2.6 5.7
38 3 0 0 17.147 34.293 2.61273 50.8 1.2 1.2 5.7
39 1 -2 2 17.78 35.56 2.52252 92.3 2.2 2.1 5.7
40 -2 3 0 18.03 36.061 2.48863 51.0 1.2 1.2 5.7
41 -3 1 0 18.194 36.387 2.46704 125.0 2.9 2.9 5.7
42 2 -1 2 18.273 36.546 2.45671 52.4 1.2 1.2 5.7
43 -2 0 2 18.377 36.754 2.44328 71.6 1.7 1.6 5.7
44 -2 1 2 18.753 37.505 2.39604 117.5 2.7 2.7 5.7
45 0 -4 1 18.938 37.876 2.37339 110.5 2.6 2.5 5.7
46 2 3 2 18.984 37.967 2.36792 57.3 1.3 1.3 5.7
47 2 4 0 19.051 38.101 2.35991 135.9 3.2 3.1 5.7
48 -3 -1 1 19.177 38.353 2.34498 117.5 2.7 2.7 5.7
49 2 -3 1 19.616 39.232 2.29444 169.6 4.0 3.9 5.7
50 1 4 2 19.855 39.709 2.26795 43.5 1.0 1.0 5.7
51 -3 2 0 20.122 40.244 2.23904 106.0 2.5 2.4 5.7
52 1 1 3 20.315 40.63 2.21869 108.2 2.5 2.5 5.7
53 1 0 3 20.653 41.305 2.18395 113.9 2.7 2.6 5.7
54 1 -3 2 20.756 41.513 2.17351 69.1 1.6 1.6 5.7
55 0 2 3 20.827 41.654 2.16647 137.2 3.2 3.1 5.7
56 1 2 3 20.874 41.749 2.16177 155.1 3.6 3.5 5.7
57 0 5 0 21.023 42.046 2.14718 95.7 2.2 2.2 5.7
58 -2 -4 1 21.403 42.806 2.11081 47.1 1.1 1.1 5.7
59 -2 4 0 21.595 43.189 2.09295 59.3 1.4 1.3 5.7
60 3 3 2 22.384 44.769 2.02269 214.1 5.0 4.9 5.7
61 2 2 3 22.531 45.062 2.01022 44.8 1.0 1.0 5.7
62 2 0 3 22.616 45.231 2.00308 80.8 1.9 1.8 5.7
63 -3 3 0 22.747 45.494 1.9921 72.5 1.7 1.6 5.7
64 4 1 0 22.982 45.963 1.97287 118.5 2.8 2.7 5.7
65 0 -5 1 23.111 46.221 1.96245 53.4 1.2 1.2 5.7
66 0 -2 3 23.204 46.407 1.95502 93.0 2.2 2.1 5.7
67 4 0 1 23.622 47.243 1.92237 94.8 2.2 2.1 5.7
68 -1 -4 2 23.665 47.329 1.91906 62.8 1.5 1.4 5.7
69 2 3 3 23.714 47.429 1.91527 53.1 1.2 1.2 5.7
70 -3 -2 2 24.403 48.807 1.86437 108.6 2.5 2.5 5.7
71 -3 -4 1 24.809 49.618 1.83577 124.4 2.9 2.8 5.7
72 1 6 1 25.197 50.395 1.80929 59.8 1.4 1.3 5.8
73 -2 2 3 25.346 50.692 1.79935 95.7 2.2 2.2 5.8
74 3 0 3 25.891 51.782 1.76403 74.9 1.7 1.7 5.8
75 -1 -3 3 26.415 52.83 1.73146 57.7 1.3 1.3 5.8
76 2 -4 2 26.621 53.242 1.71906 56.4 1.3 1.3 5.8
77 -2 3 3 26.95 53.901 1.69958 51.8 1.2 1.2 5.8
78 -1 6 1 27.035 54.069 1.69467 52.6 1.2 1.2 5.8
79 4 4 0 27.132 54.264 1.68906 52.9 1.2 1.2 5.8
80 0 1 4 27.225 54.449 1.68374 65.3 1.5 1.5 5.8
81 0 6 2 27.27 54.54 1.68115 50.5 1.2 1.1 5.8
82 0 5 3 27.478 54.956 1.66941 86.9 2.0 1.9 5.8
83 -1 -6 1 27.537 55.074 1.66613 114.3 2.7 2.6 5.8
84 2 6 2 27.941 55.883 1.64391 101.0 2.4 2.3 5.8
85 -2 5 2 28.12 56.239 1.63432 115.9 2.7 2.6 5.8
86 -4 -1 2 28.339 56.678 1.6227 43.9 1.0 1.0 5.8
87 2 -3 3 28.431 56.861 1.61791 59.1 1.4 1.3 5.8
88 0 -1 4 28.556 57.112 1.61139 43.8 1.0 1.0 5.8
89 2 2 4 28.786 57.571 1.59963 57.4 1.3 1.3 5.8
90 -4 3 1 29.066 58.131 1.58555 122.3 2.9 2.7 5.8
91 4 -2 2 29.197 58.394 1.57904 84.4 2.0 1.9 5.8
92 5 2 0 29.599 59.198 1.55951 90.6 2.1 2.0 5.8
93 -4 2 2 29.871 59.741 1.54661 114.9 2.7 2.6 5.8
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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