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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KAFEHYDROCYANITE
1, analogue, DN
K(4)Fe(CN)(6).3[HH](2)O
Monoclinic A 2/a Z = 4
A2/a
8 .6 .9
Ref.Str.:
Taylor J.C., Mueller M. H., Hitterman R.L. (1970)
* Acta Cryst., A26, 559-567
R: [HH] = D. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.415 alpha = 90.0
b = 17.006 beta = 90.03
c = 9.382 gamma = 90.0
Unit cell volume (cub. angs.) = 1502.17
Molar volume ( cub.cm/mol.) = 226.2
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.435 0.1431 0.5963 0.0 K = 1.00
2 0.1576 0.3574 0.6907 0.0 K = 1.00
3 0.25 0.1765 0.0 0.0 Fe = 1.00
4 0.25 0.0643 0.0 0.0 C = 1.00
5 0.25 0.2915 0.0 0.0 C = 1.00
6 0.1806 0.1774 0.8076 0.0 C = 1.00
7 0.4419 0.1778 0.9325 0.0 C = 1.00
8 0.25 0.9947 0.0 0.0 N = 1.00
9 0.25 0.3598 0.0 0.0 N = 1.00
10 0.139 0.1748 0.6924 0.0 N = 1.00
11 0.4394 0.3219 0.6101 0.0 N = 1.00
12 0.2276 0.0242 0.5391 0.0 H(2)O = 0.5 , H(2)O = 0.0
13 0.2275 0.9728 0.5176 0.0 H = 0.5 , H = 0.0
14 0.1702 0.0283 0.6144 0.0 H = 0.5 , H = 0.0
15 0.003 0.0 0.775 0.0 H(2)O = 0.5 , H(2)O = 0.0
16 0.078 0.006 0.83 0.0 H = 0.5 , H = 0.0
17 0.9216 0.9786 0.8376 0.0 H = 0.5 , H = 0.0
18 0.019 0.995 0.75 0.0 H(2)O = 0.5 , H(2)O = 0.0
19 0.069 0.977 0.83 0.0 H = 0.5 , H = 0.0
20 0.0926 0.0281 0.7042 0.0 H = 0.5 , H = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.435 0.1431 0.5963
2 2 0.1576 0.3574 0.6907
3 3 0.25 0.1765 0.0
4 4 0.25 0.0643 0.0
5 5 0.25 0.2915 0.0
6 6 0.1806 0.1774 0.8076
7 7 0.4419 0.1778 0.9325
8 8 0.25 0.9947 0.0
9 9 0.25 0.3598 0.0
10 10 0.139 0.1748 0.6924
11 11 0.4394 0.3219 0.6101
12 12 0.2276 0.0242 0.5391
13 13 0.2275 0.9728 0.5176
14 14 0.1702 0.0283 0.6144
15 15 0.003 0.0 0.775
16 16 0.078 0.006 0.83
17 17 0.9216 0.9786 0.8376
18 18 0.019 0.995 0.75
19 19 0.069 0.977 0.83
20 20 0.0926 0.0281 0.7042
21 1 0.565 0.8569 0.4037
22 2 0.8424 0.6426 0.3093
23 3 0.75 0.8235 0.0
24 4 0.75 0.9357 0.0
25 5 0.75 0.7085 0.0
26 6 0.8194 0.8226 0.1924
27 7 0.5581 0.8222 0.0675
28 8 0.75 0.0053 0.0
29 9 0.75 0.6402 0.0
30 10 0.861 0.8252 0.3076
31 11 0.5606 0.6781 0.3899
32 12 0.7724 0.9758 0.4609
33 13 0.7725 0.0272 0.4824
34 14 0.8298 0.9717 0.3856
35 15 0.997 0.0 0.225
36 16 0.922 0.994 0.17
37 17 0.0784 0.0214 0.1624
38 18 0.981 0.005 0.25
39 19 0.931 0.023 0.17
40 20 0.9074 0.9719 0.2958
41 1 0.565 0.3569 0.9037
42 2 0.8424 0.1426 0.8093
43 3 0.75 0.3235 0.5
44 4 0.75 0.4357 0.5
45 5 0.75 0.2085 0.5
46 6 0.8194 0.3226 0.6924
47 7 0.5581 0.3222 0.5675
48 8 0.75 0.5053 0.5
49 9 0.75 0.1402 0.5
50 10 0.861 0.3252 0.8076
51 11 0.5606 0.1781 0.8899
52 12 0.7724 0.4758 0.9609
53 13 0.7725 0.5272 0.9824
54 14 0.8298 0.4717 0.8856
55 15 0.997 0.5 0.725
56 16 0.922 0.494 0.67
57 17 0.0784 0.5214 0.6624
58 18 0.981 0.505 0.75
59 19 0.931 0.523 0.67
60 20 0.9074 0.4719 0.7958
61 1 0.435 0.6431 0.0963
62 2 0.1576 0.8574 0.1907
63 3 0.25 0.6765 0.5
64 4 0.25 0.5643 0.5
65 5 0.25 0.7915 0.5
66 6 0.1806 0.6774 0.3076
67 7 0.4419 0.6778 0.4325
68 8 0.25 0.4947 0.5
69 9 0.25 0.8598 0.5
70 10 0.139 0.6748 0.1924
71 11 0.4394 0.8219 0.1101
72 12 0.2276 0.5242 0.0391
73 13 0.2275 0.4728 0.0176
74 14 0.1702 0.5283 0.1144
75 15 0.003 0.5 0.275
76 16 0.078 0.506 0.33
77 17 0.9216 0.4786 0.3376
78 18 0.019 0.495 0.25
79 19 0.069 0.477 0.33
80 20 0.0926 0.5281 0.2042
81 1 0.935 0.8569 0.5963
82 2 0.6576 0.6426 0.6907
83 6 0.6806 0.8226 0.8076
84 7 0.9419 0.8222 0.9325
85 10 0.639 0.8252 0.6924
86 11 0.9394 0.6781 0.6101
87 12 0.7276 0.9758 0.5391
88 13 0.7275 0.0272 0.5176
89 14 0.6702 0.9717 0.6144
90 15 0.503 0.0 0.775
91 16 0.578 0.994 0.83
92 17 0.4216 0.0214 0.8376
93 18 0.519 0.005 0.75
94 19 0.569 0.023 0.83
95 20 0.5926 0.9719 0.7042
96 1 0.065 0.1431 0.4037
97 2 0.3424 0.3574 0.3093
98 6 0.3194 0.1774 0.1924
99 7 0.0581 0.1778 0.0675
100 10 0.361 0.1748 0.3076
101 11 0.0606 0.3219 0.3899
102 12 0.2724 0.0242 0.4609
103 13 0.2725 0.9728 0.4824
104 14 0.3298 0.0283 0.3856
105 15 0.497 0.0 0.225
106 16 0.422 0.006 0.17
107 17 0.5784 0.9786 0.1624
108 18 0.481 0.995 0.25
109 19 0.431 0.977 0.17
110 20 0.4074 0.0281 0.2958
111 1 0.065 0.6431 0.9037
112 2 0.3424 0.8574 0.8093
113 6 0.3194 0.6774 0.6924
114 7 0.0581 0.6778 0.5675
115 10 0.361 0.6748 0.8076
116 11 0.0606 0.8219 0.8899
117 12 0.2724 0.5242 0.9609
118 13 0.2725 0.4728 0.9824
119 14 0.3298 0.5283 0.8856
120 15 0.497 0.5 0.725
121 16 0.422 0.506 0.67
122 17 0.5784 0.4786 0.6624
123 18 0.481 0.495 0.75
124 19 0.431 0.477 0.67
125 20 0.4074 0.5281 0.7958
126 1 0.935 0.3569 0.0963
127 2 0.6576 0.1426 0.1907
128 6 0.6806 0.3226 0.3076
129 7 0.9419 0.3222 0.4325
130 10 0.639 0.3252 0.1924
131 11 0.9394 0.1781 0.1101
132 12 0.7276 0.4758 0.0391
133 13 0.7275 0.5272 0.0176
134 14 0.6702 0.4717 0.1144
135 15 0.503 0.5 0.275
136 16 0.578 0.494 0.33
137 17 0.4216 0.5214 0.3376
138 18 0.519 0.505 0.25
139 19 0.569 0.523 0.33
140 20 0.5926 0.4719 0.2042
X-ray density (g/cm cub.) = 1.89
MU (1/cm) = 172.489 Mass attenuation coefficient (cm**2/g) = 91.08
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.396 13
3.1642 6
3.2096 7
2.9787 10
3.0437 11
2.8615 12
3.2942 5
3.2701 7
3.1011 9
3.0556 11
3.0235 15
2.8669 18
2.8479 10
2.8362 12
2 K 3.396 12
3.2297 5
3.2588 6
3.0293 9
3.1103 10
2.8245 11
3.2387 6
3.0502 10
2.876 15
3.062 18
3.0678 8
3.0266 11
3.2165 7
3 Fe 2.76 6
1.9081 4
1.9557 5
1.9195 6
1.915 7
1.9195 6
1.915 7
4 C 2.724 5
2.7173 6
2.7189 7
1.1836 8
2.7173 6
2.7189 7
5 C 2.724 3
2.7213 7
1.1615 9
2.7213 7
6 C 2.724 3
2.7173 4
1.1502 10
2.6979 7
7 C 2.724 4
2.7189 4
2.7213 5
1.1871 11
2.6979 6
8 N 3.576 9
1.1836 4
3.1412 15
3.1978 18
3.1849 15
3.4572 18
3.1849 15
3.4572 18
3.1412 15
3.1978 18
9 N 3.576 3
1.1615 5
2.8276 12
2.8276 12
10 N 3.576 4
1.1502 6
3.0537 12
3.3283 15
3.3043 18
11 N 3.576 3
1.1871 7
3.2602 15
3.2467 18
12 H(2)O,H(2)O 3.6 9
3.0537 10
3.0894 15
2.8325 18
3.5843 18
2.8276 9
3.4329 15
3.3975 18
3.5856 10
0.8465 12
13 H ,H 1.8 2
0.8971 12
1.1072 12
14 H ,H 1.8 2
0.8924 12
1.7338 12
15 H(2)O,H(2)O 3.6 11
3.3249 4
3.4627 6
3.1412 8
3.3283 10
3.0894 12
0.2915 18
3.3662 4
3.1849 8
3.4144 7
3.4329 12
3.2602 11
16 H ,H 1.8 2
0.8803 15
0.9521 18
17 H ,H 1.8 2
1.0321 15
1.2629 18
18 H(2)O,H(2)O 3.6 12
3.4081 4
3.4968 6
3.1978 8
3.3043 10
2.8325 12
0.2915 15
3.5971 4
3.4572 8
3.5843 12
3.4779 7
3.3975 12
3.2467 11
19 H ,H 1.8 2
0.8972 15
0.9372 18
20 H ,H 1.8 2
1.1755 15
0.9909 18
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 6.038 12.077 0.059 177.77 2 113.9 204.5
2 0 1 1 6.251 12.502 0.061 165.73 4 36.2 38.4
3 1 2 0 8.149 16.298 0.079 96.6 4 65.8 74.1
4 1 1 -1 8.307 16.613 0.081 92.88 4 60.7 60.7
5 1 1 1 8.31 16.621 0.081 92.79 4 63.9 67.2
6 0 3 1 10.624 21.247 0.103 55.94 4 61.7 37.7
7 2 0 0 10.953 21.906 0.106 52.5 2 82.8 31.9
8 0 0 2 10.992 21.984 0.107 52.11 2 66.2 20.3
9 1 3 -1 11.968 23.937 0.116 43.63 4 51.5 20.5
10 1 3 1 11.971 23.942 0.116 43.61 4 50.5 19.7
11 0 4 0 12.145 24.29 0.118 42.31 2 198.7 148.1
12 2 2 0 12.544 25.087 0.121 39.53 4 43.6 13.3
13 0 2 2 12.578 25.156 0.122 39.31 4 46.6 15.1
14 2 1 -1 12.647 25.295 0.122 38.85 4 12.2 1.0
15 2 1 1 12.653 25.305 0.122 38.82 4 111.4 85.5
16 1 4 0 13.347 26.693 0.129 34.68 4 69.6 29.8
17 1 2 -2 13.742 27.484 0.133 32.6 4 202.5 236.9
18 1 2 2 13.747 27.493 0.133 32.58 4 25.9 3.9
19 2 3 -1 15.35 30.699 0.148 25.74 4 14.1 0.9
20 2 3 1 15.354 30.708 0.148 25.73 4 176.0 141.2
21 2 0 -2 15.612 31.223 0.15 24.82 2 135.9 40.6
22 2 0 2 15.62 31.24 0.151 24.79 2 129.2 36.7
23 0 5 1 16.244 32.488 0.156 22.78 4 111.8 50.5
24 2 4 0 16.468 32.937 0.158 22.12 4 10.2 0.4
25 0 4 2 16.495 32.991 0.159 22.04 4 2.1 0.0
26 2 2 -2 16.795 33.589 0.162 21.19 4 68.7 17.7
27 2 2 2 16.803 33.605 0.162 21.17 4 85.6 27.5
28 0 1 3 16.906 33.813 0.163 20.89 4 29.8 3.3
29 1 5 -1 17.182 34.364 0.165 20.17 4 6.9 0.2
30 1 5 1 17.184 34.368 0.165 20.16 4 1.5 0.0
31 1 4 -2 17.42 34.84 0.167 19.57 4 37.2 4.8
32 1 4 2 17.424 34.848 0.167 19.56 4 33.9 4.0
33 3 2 0 17.686 35.372 0.17 18.93 4 36.0 4.4
34 3 1 -1 17.761 35.523 0.171 18.76 4 370.0 455.1
35 3 1 1 17.767 35.534 0.171 18.75 4 23.8 1.9
36 1 1 -3 17.812 35.623 0.171 18.64 4 24.6 2.0
37 1 1 3 17.817 35.634 0.171 18.63 4 372.0 457.0
38 0 6 0 18.396 36.792 0.176 17.37 2 443.1 302.2
39 0 3 3 19.066 38.131 0.183 16.05 4 7.8 0.2
40 1 6 0 19.243 38.485 0.184 15.73 4 114.2 36.4
41 2 5 -1 19.763 39.526 0.189 14.82 4 86.1 19.5
42 2 5 1 19.767 39.533 0.189 14.82 4 95.3 23.8
43 3 3 -1 19.84 39.68 0.19 14.7 4 71.2 13.2
44 3 3 1 19.845 39.69 0.19 14.69 4 19.6 1.0
45 1 3 -3 19.886 39.771 0.19 14.62 4 6.5 0.1
46 1 3 3 19.891 39.782 0.19 14.61 4 67.3 11.7
47 2 4 -2 19.974 39.948 0.191 14.48 4 106.7 29.2
48 2 4 2 19.981 39.961 0.191 14.47 4 121.5 37.9
49 2 1 -3 20.322 40.644 0.194 13.93 4 23.0 1.3
50 2 1 3 20.332 40.664 0.194 13.92 4 44.2 4.8
51 3 4 0 20.748 41.495 0.198 13.3 4 3.5 0.0
52 3 2 -2 21.015 42.029 0.2 12.93 4 54.9 6.9
53 3 2 2 21.024 42.049 0.201 12.91 4 50.1 5.7
54 2 6 0 21.615 43.23 0.206 12.14 4 18.5 0.7
55 0 6 2 21.636 43.272 0.206 12.11 4 10.8 0.2
56 2 3 -3 22.199 44.397 0.211 11.43 4 71.3 10.3
57 2 3 3 22.208 44.416 0.211 11.42 4 27.4 1.5
58 4 0 0 22.335 44.669 0.212 11.27 2 84.7 7.2
59 0 7 1 22.354 44.707 0.213 11.25 4 48.2 4.6
60 1 6 -2 22.379 44.758 0.213 11.22 4 156.9 49.0
61 1 6 2 22.382 44.764 0.213 11.22 4 102.7 21.0
62 0 0 4 22.417 44.835 0.213 11.18 2 89.3 7.9
63 0 5 3 22.864 45.728 0.217 10.69 4 48.2 4.4
64 1 7 -1 23.079 46.157 0.219 10.47 4 54.6 5.5
65 1 7 1 23.08 46.16 0.219 10.47 4 64.5 7.7
66 4 2 0 23.223 46.445 0.22 10.32 4 55.0 5.5
67 4 1 -1 23.282 46.564 0.221 10.26 4 20.0 0.7
68 4 1 1 23.288 46.576 0.221 10.26 4 34.2 2.1
69 0 2 4 23.303 46.606 0.221 10.24 4 44.8 3.6
70 3 5 -1 23.535 47.071 0.223 10.01 4 309.1 169.6
71 3 5 1 23.54 47.08 0.223 10.01 4 8.8 0.1
72 1 5 -3 23.575 47.15 0.224 9.98 4 4.4 0.0
73 1 5 3 23.58 47.159 0.224 9.97 4 319.5 180.4
74 3 4 -2 23.718 47.436 0.225 9.84 4 52.3 4.8
75 3 4 2 23.727 47.454 0.225 9.83 4 24.2 1.0
76 1 2 -4 24.004 48.007 0.227 9.58 4 12.2 0.3
77 1 2 4 24.01 48.019 0.227 9.57 4 37.4 2.4
78 3 1 -3 24.022 48.043 0.228 9.56 4 18.8 0.6
79 3 1 3 24.035 48.07 0.228 9.55 4 37.0 2.3
80 2 6 -2 24.503 49.006 0.232 9.14 4 76.6 9.5
81 2 6 2 24.509 49.018 0.232 9.13 4 70.1 7.9
82 0 8 0 24.883 49.767 0.235 8.82 2 23.9 0.4
83 4 3 -1 24.982 49.963 0.236 8.74 4 61.2 5.8
84 4 3 1 24.987 49.975 0.236 8.74 4 16.0 0.4
85 4 0 -2 25.156 50.311 0.238 8.61 2 32.9 0.8
86 2 7 -1 25.158 50.317 0.238 8.61 4 51.1 4.0
87 2 7 1 25.161 50.322 0.238 8.6 4 177.2 47.9
88 3 6 0 25.165 50.331 0.238 8.6 4 106.7 17.4
89 4 0 2 25.167 50.334 0.238 8.6 2 345.9 91.2
90 2 0 -4 25.212 50.425 0.238 8.56 2 329.3 82.3
91 2 0 4 25.224 50.448 0.238 8.55 2 50.7 1.9
92 1 8 0 25.554 51.109 0.241 8.3 4 43.0 2.7
93 2 5 -3 25.623 51.246 0.242 8.25 4 57.3 4.8
94 2 5 3 25.631 51.263 0.242 8.25 4 78.5 9.0
95 3 3 -3 25.684 51.369 0.242 8.21 4 23.6 0.8
96 3 3 3 25.697 51.394 0.242 8.2 4 15.5 0.3
97 4 4 0 25.745 51.49 0.243 8.17 4 111.4 18.0
98 0 4 4 25.819 51.639 0.243 8.11 4 94.3 12.8
99 4 2 -2 25.97 51.94 0.245 8.01 4 53.0 4.0
100 4 2 2 25.981 51.962 0.245 8.0 4 106.0 15.9
101 2 2 -4 26.026 52.051 0.245 7.97 4 122.9 21.3
102 2 2 4 26.037 52.073 0.245 7.96 4 47.7 3.2
103 1 4 -4 26.47 52.941 0.249 7.66 4 20.0 0.5
104 1 4 4 26.476 52.952 0.249 7.66 4 60.0 4.9
105 2 8 0 27.496 54.992 0.258 7.03 4 84.1 8.8
106 0 8 2 27.514 55.027 0.258 7.02 4 94.7 11.2
107 3 6 -2 27.773 55.545 0.26 6.87 4 52.7 3.4
108 3 6 2 27.781 55.561 0.261 6.87 4 96.6 11.4
109 0 7 3 27.789 55.578 0.261 6.86 4 71.7 6.3
110 1 8 -2 28.139 56.278 0.264 6.67 4 149.5 26.4
111 1 8 2 28.141 56.283 0.264 6.67 4 22.3 0.6
112 4 5 -1 28.153 56.306 0.264 6.66 4 68.6 5.6
113 4 5 1 28.158 56.317 0.264 6.66 4 50.7 3.0
114 4 4 -2 28.313 56.627 0.265 6.58 4 34.8 1.4
115 4 4 2 28.324 56.648 0.265 6.57 4 199.0 46.1
116 2 4 -4 28.366 56.732 0.266 6.55 4 215.1 53.7
117 3 7 -1 28.375 56.749 0.266 6.55 4 130.9 19.9
118 2 4 4 28.376 56.752 0.266 6.54 4 37.9 1.7
119 3 7 1 28.378 56.757 0.266 6.54 4 8.4 0.1
120 1 7 -3 28.409 56.819 0.266 6.53 4 19.6 0.4
121 1 7 3 28.413 56.827 0.266 6.53 4 123.2 17.6
122 4 1 -3 28.581 57.162 0.267 6.44 4 135.7 21.0
123 4 1 3 28.597 57.193 0.268 6.43 4 36.1 1.5
124 0 1 5 28.658 57.316 0.268 6.4 4 146.4 24.3
125 3 5 -3 28.802 57.603 0.269 6.33 4 12.6 0.2
126 3 5 3 28.813 57.626 0.269 6.32 4 12.7 0.2
127 0 9 1 28.873 57.747 0.27 6.29 4 82.5 7.6
128 5 2 0 29.113 58.225 0.272 6.18 4 180.5 35.7
129 5 1 -1 29.163 58.325 0.272 6.15 4 111.5 13.6
130 5 1 1 29.169 58.338 0.272 6.15 4 12.9 0.2
131 3 2 -4 29.173 58.347 0.272 6.15 4 3.1 0.0
132 3 2 4 29.189 58.378 0.273 6.14 4 191.5 39.9
133 1 1 -5 29.265 58.53 0.273 6.1 4 28.7 0.9
134 1 1 5 29.272 58.543 0.273 6.1 4 95.1 9.8
135 1 9 -1 29.48 58.96 0.275 6.0 4 115.8 14.3
136 1 9 1 29.482 58.963 0.275 6.0 4 110.5 13.0
137 4 6 0 29.602 59.203 0.276 5.95 4 51.6 2.8
138 0 6 4 29.669 59.339 0.277 5.92 4 54.9 3.2
139 2 8 -2 29.965 59.93 0.279 5.79 4 18.6 0.4
140 2 8 2 29.97 59.94 0.279 5.79 4 18.6 0.4
141 4 3 -3 30.066 60.132 0.28 5.75 4 151.8 23.5
142 4 3 3 30.081 60.162 0.28 5.74 4 7.7 0.1
143 0 3 5 30.141 60.282 0.281 5.71 4 141.8 20.4
144 2 7 -3 30.225 60.449 0.281 5.68 4 72.1 5.2
145 2 7 3 30.232 60.464 0.281 5.67 4 4.8 0.0
146 1 6 -4 30.264 60.529 0.282 5.66 4 53.6 2.9
147 1 6 4 30.269 60.539 0.282 5.66 4 79.6 6.4
148 3 8 0 30.545 61.09 0.284 5.55 4 13.8 0.2
149 5 3 -1 30.63 61.26 0.285 5.51 4 9.3 0.1
150 5 3 1 30.636 61.272 0.285 5.51 4 39.8 1.5
151 1 3 -5 30.73 61.459 0.286 5.47 4 32.8 1.0
152 1 3 5 30.736 61.472 0.286 5.47 4 17.7 0.3
153 2 1 -5 31.048 62.096 0.288 5.35 4 28.1 0.7
154 2 1 5 31.06 62.121 0.288 5.34 4 16.2 0.2
155 2 9 -1 31.258 62.516 0.29 5.27 4 69.6 4.5
156 2 9 1 31.261 62.521 0.29 5.27 4 52.4 2.6
157 5 4 0 31.3 62.601 0.29 5.25 4 70.5 4.6
158 3 4 -4 31.359 62.717 0.291 5.23 4 19.0 0.3
159 3 4 4 31.373 62.747 0.291 5.23 4 73.8 5.0
160 5 2 -2 31.498 62.996 0.292 5.18 4 39.2 1.4
161 5 2 2 31.51 63.02 0.292 5.18 4 40.8 1.5
162 0 10 0 31.733 63.467 0.294 5.1 2 104.1 4.9
163 4 6 -2 31.966 63.932 0.296 5.02 4 14.9 0.2
164 4 6 2 31.976 63.952 0.296 5.01 4 188.1 31.5
165 2 6 -4 32.015 64.03 0.296 5.0 4 179.7 28.6
166 2 6 4 32.024 64.049 0.296 5.0 4 25.0 0.6
167 1 10 0 32.309 64.617 0.299 4.9 4 128.7 14.4
168 2 3 -5 32.465 64.93 0.3 4.85 4 38.4 1.3
169 2 3 5 32.477 64.954 0.3 4.85 4 76.7 5.1
170 4 7 -1 32.521 65.041 0.301 4.83 4 30.6 0.8
171 4 7 1 32.525 65.051 0.301 4.83 4 1.8 0.0
172 4 0 -4 32.563 65.126 0.301 4.82 2 143.0 8.7
173 4 0 4 32.582 65.164 0.301 4.81 2 145.1 9.0
174 3 8 -2 32.871 65.743 0.303 4.72 4 35.1 1.0
175 3 8 2 32.878 65.757 0.303 4.72 4 14.4 0.2
176 4 5 -3 32.914 65.828 0.304 4.71 4 10.8 0.1
177 4 5 3 32.928 65.857 0.304 4.71 4 35.5 1.0
178 0 5 5 32.985 65.97 0.304 4.69 4 7.0 0.0
179 3 7 -3 33.117 66.235 0.305 4.65 4 27.2 0.6
180 3 7 3 33.128 66.256 0.305 4.65 4 25.4 0.5
181 4 2 -4 33.258 66.516 0.307 4.61 4 0.7 0.0
182 4 2 4 33.277 66.554 0.307 4.6 4 14.1 0.2
183 5 5 -1 33.451 66.902 0.308 4.55 4 73.8 4.4
184 5 5 1 33.457 66.914 0.308 4.55 4 24.4 0.5
185 1 5 -5 33.546 67.092 0.309 4.52 4 14.6 0.2
186 1 5 5 33.552 67.104 0.309 4.52 4 48.2 1.9
187 0 9 3 33.578 67.155 0.309 4.52 4 59.6 2.8
188 5 4 -2 33.595 67.191 0.309 4.51 4 72.7 4.2
189 5 4 2 33.607 67.214 0.309 4.51 4 35.2 1.0
190 5 1 -3 33.838 67.675 0.311 4.44 4 72.9 4.2
191 5 1 3 33.855 67.71 0.311 4.44 4 9.5 0.1
192 3 1 -5 33.901 67.801 0.312 4.43 4 12.9 0.1
193 3 1 5 33.918 67.836 0.312 4.42 4 52.3 2.1
194 2 10 0 34.003 68.006 0.313 4.4 4 2.0 0.0
195 0 10 2 34.019 68.037 0.313 4.39 4 10.0 0.1
196 3 9 -1 34.103 68.207 0.313 4.37 4 90.4 6.3
197 3 9 1 34.107 68.214 0.313 4.37 4 59.1 2.7
198 1 9 -3 34.135 68.27 0.314 4.36 4 38.9 1.2
199 1 9 3 34.138 68.277 0.314 4.36 4 82.7 5.3
200 4 8 0 34.54 69.079 0.317 4.26 4 37.8 1.1
201 1 10 -2 34.573 69.146 0.317 4.25 4 57.9 2.5
202 1 10 2 34.575 69.151 0.317 4.25 4 104.2 8.2
203 0 8 4 34.602 69.204 0.317 4.24 4 36.1 1.0
204 6 0 0 34.752 69.504 0.319 4.21 2 79.0 2.3
205 5 6 0 34.771 69.541 0.319 4.2 4 102.0 7.7
206 3 6 -4 34.826 69.652 0.319 4.19 4 58.7 2.6
207 3 6 4 34.84 69.68 0.319 4.18 4 100.8 7.5
208 0 0 6 34.892 69.783 0.32 4.17 2 62.2 1.4
209 1 8 -4 35.151 70.302 0.322 4.11 4 15.3 0.2
210 1 8 4 35.156 70.311 0.322 4.11 4 18.2 0.2
211 5 3 -3 35.196 70.391 0.322 4.1 4 20.1 0.3
212 2 5 -5 35.208 70.415 0.322 4.1 4 47.8 1.7
213 5 3 3 35.213 70.426 0.322 4.09 4 50.5 1.8
214 2 5 5 35.219 70.439 0.322 4.09 4 79.9 4.6
215 3 3 -5 35.257 70.515 0.323 4.08 4 38.7 1.1
216 3 3 5 35.275 70.55 0.323 4.08 4 29.1 0.6
217 4 4 -4 35.302 70.604 0.323 4.07 4 11.5 0.1
218 4 4 4 35.32 70.641 0.323 4.07 4 32.8 0.8
219 6 2 0 35.426 70.852 0.324 4.05 4 40.3 1.2
220 6 1 -1 35.47 70.94 0.324 4.04 4 3.9 0.0
221 6 1 1 35.477 70.954 0.324 4.03 4 22.9 0.4
222 0 2 6 35.565 71.129 0.325 4.01 4 40.9 1.2
223 2 9 -3 35.785 71.57 0.327 3.97 4 22.8 0.4
224 2 9 3 35.792 71.584 0.327 3.96 4 56.2 2.2
225 0 11 1 35.9 71.799 0.328 3.94 4 152.8 16.3
226 1 2 -6 36.106 72.212 0.329 3.9 4 13.0 0.1
227 1 2 6 36.113 72.225 0.329 3.9 4 15.5 0.2
228 2 10 -2 36.215 72.43 0.33 3.87 4 73.3 3.7
229 2 10 2 36.22 72.439 0.33 3.87 4 75.6 3.9
230 1 11 -1 36.442 72.883 0.332 3.83 4 26.1 0.5
231 1 11 1 36.443 72.886 0.332 3.83 4 13.7 0.1
232 4 8 -2 36.735 73.47 0.334 3.77 4 133.9 12.0
233 3 10 0 36.743 73.486 0.334 3.77 4 96.0 6.2
234 4 8 2 36.744 73.488 0.334 3.77 4 11.8 0.1
235 2 8 -4 36.781 73.561 0.335 3.76 4 9.4 0.1
236 2 8 4 36.79 73.58 0.335 3.76 4 127.8 10.9
237 6 3 -1 36.802 73.603 0.335 3.76 4 35.5 0.8
238 6 3 1 36.808 73.617 0.335 3.76 4 10.3 0.1
239 6 0 -2 36.94 73.879 0.336 3.73 2 331.7 36.4
240 6 0 2 36.953 73.906 0.336 3.73 2 155.6 8.0
241 5 6 -2 36.959 73.918 0.336 3.73 4 96.0 6.1
242 4 7 -3 36.969 73.937 0.336 3.73 4 155.2 15.9
243 5 6 2 36.97 73.941 0.336 3.73 4 48.4 1.5
244 4 7 3 36.982 73.964 0.336 3.72 4 74.2 3.6
245 0 7 5 37.036 74.072 0.337 3.71 4 169.5 18.9
246 2 0 -6 37.061 74.122 0.337 3.71 2 106.4 3.7
247 2 0 6 37.075 74.149 0.337 3.71 2 341.2 38.2
248 6 4 0 37.417 74.834 0.34 3.64 4 11.9 0.1
249 5 7 -1 37.479 74.958 0.34 3.63 4 69.7 3.1
250 5 7 1 37.485 74.97 0.34 3.63 4 44.2 1.3
251 0 4 6 37.553 75.105 0.341 3.62 4 11.6 0.1
252 1 7 -5 37.57 75.139 0.341 3.62 4 51.3 1.7
253 1 7 5 37.575 75.151 0.341 3.62 4 77.6 3.9
254 6 2 -2 37.597 75.195 0.341 3.61 4 68.0 3.0
255 6 2 2 37.611 75.222 0.341 3.61 4 0.5 0.0
256 4 1 -5 37.715 75.43 0.342 3.59 4 37.5 0.9
257 2 2 -6 37.718 75.436 0.342 3.59 4 8.4 0.0
258 2 2 6 37.732 75.463 0.342 3.59 4 71.9 3.3
259 4 1 5 37.738 75.475 0.342 3.59 4 9.8 0.1
260 5 5 -3 37.848 75.696 0.343 3.57 4 24.4 0.4
261 5 5 3 37.865 75.729 0.343 3.57 4 24.7 0.4
262 3 5 -5 37.908 75.816 0.343 3.56 4 39.2 1.0
263 4 9 -1 37.912 75.823 0.343 3.56 4 81.4 4.2
264 4 9 1 37.916 75.832 0.344 3.56 4 38.7 0.9
265 3 5 5 37.925 75.85 0.344 3.56 4 16.0 0.2
266 2 11 -1 38.051 76.103 0.345 3.54 4 136.8 11.7
267 2 11 1 38.054 76.107 0.345 3.54 4 124.5 9.7
268 1 4 -6 38.083 76.166 0.345 3.53 4 30.6 0.6
269 1 4 6 38.09 76.18 0.345 3.53 4 23.1 0.3
270 5 2 -4 38.172 76.343 0.345 3.52 4 51.1 1.6
271 5 2 4 38.194 76.388 0.346 3.51 4 61.7 2.4
272 3 9 -3 38.471 76.942 0.348 3.47 4 66.3 2.7
273 3 9 3 38.481 76.962 0.348 3.47 4 49.6 1.5
274 4 6 -4 38.603 77.206 0.349 3.45 4 90.9 5.1
275 4 6 4 38.621 77.242 0.349 3.45 4 91.6 5.1
276 3 10 -2 38.89 77.781 0.351 3.41 4 89.1 4.8
277 3 10 2 38.897 77.794 0.351 3.4 4 82.6 4.1
278 4 3 -5 39.018 78.036 0.352 3.39 4 27.5 0.5
279 4 3 5 39.04 78.081 0.352 3.38 4 50.1 1.5
280 0 12 0 39.136 78.272 0.353 3.37 2 85.5 2.2
281 2 7 -5 39.161 78.322 0.353 3.37 4 12.7 0.1
282 2 7 5 39.172 78.344 0.353 3.36 4 47.7 1.4
283 5 8 0 39.389 78.778 0.355 3.33 4 130.5 10.1
284 6 5 -1 39.414 78.828 0.355 3.33 4 80.6 3.8
285 6 5 1 39.42 78.841 0.355 3.33 4 59.6 2.1
286 3 8 -4 39.442 78.883 0.355 3.33 4 1.6 0.0
287 3 8 4 39.455 78.91 0.355 3.33 4 141.2 11.8
288 6 4 -2 39.549 79.098 0.356 3.31 4 127.0 9.5
289 6 4 2 39.562 79.124 0.356 3.31 4 8.6 0.0
290 1 12 0 39.663 79.326 0.357 3.3 4 103.2 6.2
291 2 4 -6 39.668 79.335 0.357 3.3 4 22.5 0.3
292 2 4 6 39.681 79.362 0.357 3.3 4 137.0 11.0
293 6 1 -3 39.776 79.552 0.358 3.28 4 45.1 1.2
294 6 1 3 39.796 79.591 0.358 3.28 4 120.5 8.4
295 5 4 -4 40.115 80.229 0.36 3.24 4 2.7 0.0
296 5 4 4 40.137 80.273 0.36 3.24 4 55.8 1.8
297 0 11 3 40.196 80.391 0.361 3.23 4 113.6 7.4
298 3 2 -6 40.358 80.717 0.362 3.21 4 172.6 17.0
299 3 2 6 40.378 80.756 0.362 3.21 4 42.2 1.0
300 4 10 0 40.458 80.915 0.363 3.2 4 85.9 4.2
301 0 10 4 40.517 81.033 0.363 3.19 4 75.6 3.2
302 6 6 0 40.659 81.317 0.364 3.18 4 40.2 0.9
303 3 11 -1 40.688 81.376 0.364 3.17 4 114.5 7.4
304 3 11 1 40.691 81.383 0.364 3.17 4 25.3 0.4
305 1 11 -3 40.718 81.435 0.365 3.17 4 11.3 0.1
306 1 11 3 40.721 81.442 0.365 3.17 4 124.3 8.7
307 0 6 6 40.791 81.582 0.365 3.16 4 30.6 0.5
308 1 10 -4 41.037 82.075 0.367 3.13 4 79.1 3.5
309 1 10 4 41.042 82.083 0.367 3.13 4 112.4 7.0
310 6 3 -3 41.06 82.121 0.367 3.13 4 59.1 1.9
311 6 3 3 41.08 82.16 0.367 3.13 4 147.0 12.0
312 2 12 0 41.234 82.469 0.368 3.11 4 8.0 0.0
313 0 12 2 41.249 82.498 0.369 3.11 4 9.9 0.1
314 1 6 -6 41.31 82.62 0.369 3.11 4 83.6 3.8
315 1 6 6 41.317 82.633 0.369 3.1 4 83.3 3.8
316 5 8 -2 41.494 82.987 0.37 3.09 4 21.4 0.3
317 5 8 2 41.505 83.009 0.37 3.09 4 36.2 0.7
318 4 5 -5 41.589 83.179 0.371 3.08 4 77.8 3.3
319 4 5 5 41.611 83.223 0.371 3.08 4 68.6 2.6
320 5 7 -3 41.719 83.438 0.372 3.06 4 74.9 3.0
321 5 7 3 41.735 83.471 0.372 3.06 4 44.2 1.1
322 1 12 -2 41.769 83.538 0.372 3.06 4 140.1 10.7
323 1 12 2 41.771 83.542 0.372 3.06 4 96.8 5.1
324 3 7 -5 41.778 83.555 0.372 3.06 4 62.5 2.1
325 3 7 5 41.794 83.588 0.373 3.06 4 57.6 1.8
326 0 1 7 42.023 84.047 0.374 3.04 4 19.4 0.2
327 4 9 -3 42.141 84.282 0.375 3.03 4 59.0 1.9
328 4 9 3 42.154 84.308 0.375 3.02 4 51.2 1.4
329 0 9 5 42.206 84.412 0.376 3.02 4 48.4 1.3
330 3 4 -6 42.277 84.553 0.376 3.01 4 97.0 5.0
331 2 11 -3 42.279 84.559 0.376 3.01 4 118.7 7.5
332 2 11 3 42.286 84.572 0.376 3.01 4 109.5 6.4
333 3 4 6 42.296 84.592 0.376 3.01 4 39.8 0.8
334 7 2 0 42.322 84.644 0.376 3.01 4 54.1 1.6
335 7 1 -1 42.363 84.727 0.377 3.01 4 17.5 0.2
336 7 1 1 42.371 84.742 0.377 3.01 4 195.3 20.3
337 5 1 -5 42.441 84.883 0.377 3.0 4 193.8 20.0
338 5 1 5 42.469 84.938 0.377 3.0 4 194.5 20.1
339 1 1 -7 42.539 85.078 0.378 2.99 4 206.1 22.5
340 1 1 7 42.547 85.093 0.378 2.99 4 4.6 0.0
341 4 10 -2 42.552 85.105 0.378 2.99 4 50.4 1.3
342 4 10 2 42.561 85.122 0.378 2.99 4 141.7 10.6
343 2 10 -4 42.596 85.193 0.378 2.99 4 145.4 11.2
344 2 10 4 42.605 85.21 0.378 2.99 4 51.3 1.4
345 5 9 -1 42.635 85.269 0.379 2.98 4 42.7 1.0
346 5 9 1 42.64 85.28 0.379 2.98 4 95.7 4.8
347 1 9 -5 42.722 85.445 0.379 2.98 4 84.1 3.7
348 1 9 5 42.728 85.456 0.379 2.98 4 56.1 1.7
349 6 6 -2 42.749 85.499 0.379 2.97 4 215.0 24.4
350 6 6 2 42.762 85.525 0.38 2.97 4 100.5 5.3
351 2 6 -6 42.866 85.733 0.38 2.96 4 72.0 2.7
352 2 6 6 42.879 85.759 0.38 2.96 4 219.3 25.3
353 4 8 -4 43.093 86.186 0.382 2.95 4 13.4 0.1
354 4 8 4 43.11 86.221 0.382 2.95 4 21.6 0.2
355 6 7 -1 43.252 86.504 0.383 2.94 4 67.3 2.4
356 6 7 1 43.259 86.517 0.383 2.93 4 76.9 3.1
357 6 0 -4 43.287 86.575 0.383 2.93 2 22.2 0.1
358 0 3 7 43.296 86.592 0.383 2.93 4 23.6 0.3
359 5 6 -4 43.307 86.614 0.383 2.93 4 87.0 3.9
360 6 0 4 43.314 86.627 0.383 2.93 2 49.4 0.6
361 2 12 -2 43.325 86.65 0.384 2.93 4 55.8 1.6
362 5 6 4 43.329 86.658 0.384 2.93 4 46.7 1.1
363 2 12 2 43.33 86.659 0.384 2.93 4 54.2 1.5
364 4 0 -6 43.36 86.721 0.384 2.93 2 52.7 0.7
365 4 0 6 43.387 86.773 0.384 2.93 2 15.5 0.1
366 6 5 -3 43.608 87.217 0.386 2.91 4 36.8 0.7
367 6 5 3 43.628 87.256 0.386 2.91 4 14.3 0.1
368 7 3 -1 43.635 87.269 0.386 2.91 4 25.3 0.3
369 7 3 1 43.642 87.285 0.386 2.91 4 42.5 0.9
370 0 13 1 43.66 87.319 0.386 2.91 4 32.2 0.5
371 5 3 -5 43.712 87.425 0.386 2.9 4 50.2 1.3
372 5 3 5 43.74 87.479 0.386 2.9 4 47.5 1.2
373 1 3 -7 43.81 87.62 0.387 2.9 4 54.3 1.5
374 1 3 7 43.817 87.635 0.387 2.9 4 19.0 0.2
375 3 12 0 43.831 87.661 0.387 2.9 4 103.1 5.5
376 6 2 -4 43.922 87.844 0.388 2.89 4 12.7 0.1
377 6 2 4 43.948 87.897 0.388 2.89 4 30.0 0.5
378 4 2 -6 43.995 87.99 0.388 2.88 4 56.3 1.6
379 4 2 6 44.021 88.042 0.388 2.88 4 5.5 0.0
380 2 1 -7 44.09 88.179 0.389 2.88 4 23.2 0.3
381 2 1 7 44.105 88.21 0.389 2.88 4 25.1 0.3
382 1 13 -1 44.177 88.353 0.39 2.87 4 47.8 1.2
383 1 13 1 44.178 88.355 0.39 2.87 4 55.4 1.6
384 7 4 0 44.228 88.455 0.39 2.87 4 30.3 0.5
385 2 9 -5 44.273 88.547 0.39 2.87 4 57.4 1.7
386 2 9 5 44.284 88.569 0.39 2.87 4 93.3 4.4
387 4 11 -1 44.324 88.648 0.391 2.86 4 109.4 6.1
388 4 11 1 44.328 88.656 0.391 2.86 4 79.5 3.2
389 7 2 -2 44.401 88.802 0.391 2.86 4 16.2 0.1
390 7 2 2 44.416 88.833 0.391 2.86 4 11.3 0.1
391 3 11 -3 44.867 89.735 0.394 2.84 4 9.0 0.0
392 3 11 3 44.877 89.754 0.394 2.83 4 17.8 0.2
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 0 2 0 6.038 12.077 8.503 204.5 44.6 45.3 5.6
2 0 1 1 6.251 12.502 8.2148 38.4 8.4 8.5 5.6
3 1 2 0 8.149 16.298 6.31039 74.1 16.1 16.4 5.6
4 1 1 1 8.31 16.621 6.18845 127.9 27.9 28.3 5.6
5 0 3 1 10.624 21.247 4.85181 37.7 8.2 8.3 5.6
6 2 0 0 10.953 21.906 4.7075 31.9 7.0 7.0 5.6
7 0 0 2 10.992 21.984 4.691 20.3 4.4 4.5 5.6
8 1 3 -1 11.968 23.937 4.3133 40.2 8.8 8.9 5.6
9 0 4 0 12.145 24.29 4.2515 148.1 32.3 32.6 5.6
10 2 2 0 12.544 25.087 4.11846 13.3 2.9 2.9 5.6
11 0 2 2 12.578 25.156 4.1074 15.1 3.3 3.3 5.6
12 2 1 1 12.653 25.305 4.08359 86.5 18.8 19.0 5.6
13 1 4 0 13.347 26.693 3.87476 29.8 6.5 6.5 5.6
14 1 2 -2 13.742 27.484 3.76537 240.8 52.5 52.8 5.6
15 2 3 1 15.354 30.708 3.37812 141.2 30.8 30.9 5.6
16 2 0 -2 15.612 31.223 3.32373 77.3 16.8 16.9 5.6
17 0 5 1 16.244 32.488 3.19757 50.5 11.0 11.0 5.6
18 2 2 2 16.803 33.605 3.09423 45.2 9.9 9.9 5.7
19 1 4 -2 17.42 34.84 2.98774 8.8 1.9 1.9 5.7
20 3 1 -1 17.761 35.523 2.93213 457.0 99.6 99.6 5.7
21 1 1 3 17.817 35.634 2.92325 459.0 100.0 100.0 5.7
22 0 6 0 18.396 36.792 2.83433 302.2 65.9 65.8 5.7
23 1 6 0 19.243 38.485 2.71402 36.4 7.9 7.9 5.7
24 2 5 1 19.767 39.533 2.64486 43.3 9.4 9.4 5.7
25 3 3 -1 19.84 39.68 2.63544 14.2 3.1 3.1 5.7
26 1 3 3 19.891 39.782 2.62899 11.7 2.6 2.5 5.7
27 2 4 2 19.981 39.961 2.61766 67.1 14.6 14.6 5.7
28 2 1 3 20.332 40.664 2.57427 6.1 1.3 1.3 5.7
29 3 2 -2 21.015 42.029 2.49428 12.7 2.8 2.7 5.7
30 2 3 -3 22.199 44.397 2.36743 11.8 2.6 2.6 5.7
31 4 0 0 22.335 44.669 2.35375 11.8 2.6 2.5 5.7
32 1 6 -2 22.379 44.758 2.34933 70.0 15.2 15.1 5.7
33 0 0 4 22.417 44.835 2.3455 7.9 1.7 1.7 5.7
34 1 7 1 23.08 46.16 2.28168 13.3 2.9 2.9 5.7
35 4 2 0 23.223 46.445 2.26844 5.5 1.2 1.2 5.7
36 0 2 4 23.303 46.606 2.26105 5.8 1.3 1.2 5.7
37 3 5 -1 23.535 47.071 2.23998 169.8 37.0 36.6 5.7
38 1 5 3 23.58 47.159 2.23602 180.4 39.3 38.8 5.7
39 3 4 -2 23.718 47.436 2.22372 5.8 1.3 1.2 5.7
40 1 2 4 24.01 48.019 2.19829 5.3 1.2 1.1 5.7
41 2 6 -2 24.503 49.006 2.15665 17.5 3.8 3.8 5.7
42 4 3 -1 24.982 49.963 2.11793 6.2 1.4 1.3 5.7
43 4 0 2 25.167 50.334 2.10333 160.4 34.9 34.4 5.8
44 2 0 -4 25.212 50.425 2.09979 84.3 18.4 18.1 5.8
45 2 5 3 25.631 51.263 2.06774 13.8 3.0 3.0 5.8
46 4 4 0 25.745 51.49 2.05923 18.0 3.9 3.9 5.8
47 0 4 4 25.819 51.639 2.0537 12.8 2.8 2.7 5.8
48 4 2 2 25.981 51.962 2.04179 19.9 4.3 4.3 5.8
49 2 2 -4 26.026 52.051 2.03855 24.5 5.3 5.3 5.8
50 1 4 4 26.476 52.952 2.00633 4.9 1.1 1.0 5.8
51 0 8 2 27.514 55.027 1.93622 20.0 4.4 4.3 5.8
52 0 7 3 27.789 55.578 1.91855 21.0 4.6 4.5 5.8
53 1 8 -2 28.139 56.278 1.89662 35.6 7.8 7.6 5.8
54 4 4 2 28.324 56.648 1.88524 47.5 10.4 10.1 5.8
55 2 4 -4 28.366 56.732 1.88268 75.4 16.4 16.0 5.8
56 1 7 3 28.413 56.827 1.8798 17.6 3.8 3.7 5.8
57 4 1 -3 28.581 57.162 1.86969 22.5 4.9 4.8 5.8
58 0 1 5 28.658 57.316 1.86508 24.3 5.3 5.2 5.8
59 0 9 1 28.873 57.747 1.85236 7.6 1.7 1.6 5.8
60 5 2 0 29.113 58.225 1.83846 35.7 7.8 7.6 5.8
61 3 2 4 29.189 58.378 1.83408 53.6 11.7 11.4 5.8
62 1 1 5 29.272 58.543 1.82935 9.8 2.1 2.1 5.8
63 1 9 -1 29.48 58.96 1.81755 27.3 5.9 5.8 5.8
64 4 3 -3 30.066 60.132 1.78536 23.5 5.1 5.0 5.8
65 0 3 5 30.141 60.282 1.78135 20.4 4.4 4.3 5.8
66 2 7 -3 30.225 60.449 1.77686 5.3 1.1 1.1 5.8
67 1 6 4 30.269 60.539 1.77449 9.2 2.0 2.0 5.8
68 2 9 -1 31.258 62.516 1.72378 7.1 1.5 1.5 5.8
69 5 4 0 31.3 62.601 1.72169 4.6 1.0 1.0 5.8
70 3 4 4 31.373 62.747 1.71809 5.0 1.1 1.1 5.9
71 0 10 0 31.733 63.467 1.7006 4.9 1.1 1.0 5.9
72 4 6 2 31.976 63.952 1.68906 31.5 6.9 6.6 5.9
73 2 6 -4 32.015 64.03 1.68722 29.2 6.4 6.1 5.9
74 1 10 0 32.309 64.617 1.67352 14.4 3.1 3.0 5.9
75 2 3 5 32.477 64.954 1.66578 6.3 1.4 1.3 5.9
76 4 0 4 32.582 65.164 1.66099 17.7 3.9 3.7 5.9
77 5 5 -1 33.451 66.902 1.62269 4.9 1.1 1.0 5.9
78 5 4 -2 33.595 67.191 1.61652 9.9 2.2 2.1 5.9
79 3 9 -1 34.103 68.207 1.59529 9.0 2.0 1.9 5.9
80 1 9 3 34.138 68.277 1.59385 6.5 1.4 1.3 5.9
81 1 10 2 34.575 69.151 1.57617 11.7 2.5 2.4 5.9
82 5 6 0 34.771 69.541 1.56842 10.1 2.2 2.1 5.9
83 3 6 4 34.84 69.68 1.5657 10.1 2.2 2.1 5.9
84 2 5 5 35.219 70.439 1.55098 8.1 1.8 1.7 5.9
85 0 11 1 35.9 71.799 1.52543 16.3 3.6 3.4 5.9
86 2 10 2 36.22 72.439 1.51378 7.6 1.7 1.6 5.9
87 4 8 -2 36.735 73.47 1.49546 18.2 4.0 3.8 6.0
88 2 8 4 36.79 73.58 1.49355 11.8 2.6 2.4 6.0
89 6 0 -2 36.94 73.879 1.48835 66.4 14.5 13.7 6.0
90 4 7 3 36.982 73.964 1.48688 5.2 1.1 1.1 6.0
91 0 7 5 37.036 74.072 1.48503 22.6 4.9 4.7 6.0
92 2 0 6 37.075 74.149 1.48371 38.2 8.3 7.9 6.0
93 6 2 -2 37.597 75.195 1.46606 8.5 1.9 1.8 6.0
94 4 9 -1 37.912 75.823 1.45572 5.3 1.2 1.1 6.0
95 2 11 -1 38.051 76.103 1.45118 21.4 4.7 4.4 6.0
96 4 6 4 38.621 77.242 1.43305 10.2 2.2 2.1 6.0
97 3 10 -2 38.89 77.781 1.42468 8.9 1.9 1.8 6.0
98 5 8 0 39.389 78.778 1.40953 13.9 3.0 2.8 6.0
99 3 8 4 39.455 78.91 1.40755 11.8 2.6 2.4 6.0
100 6 4 -2 39.549 79.098 1.40476 9.5 2.1 1.9 6.0
101 2 4 6 39.681 79.362 1.40086 17.5 3.8 3.6 6.0
102 6 1 3 39.796 79.591 1.39748 9.6 2.1 2.0 6.0
103 0 11 3 40.196 80.391 1.3859 7.4 1.6 1.5 6.0
104 3 2 -6 40.358 80.717 1.38126 18.0 3.9 3.7 6.1
105 3 11 -1 40.688 81.376 1.37199 7.8 1.7 1.6 6.1
106 1 11 3 40.721 81.442 1.37108 8.7 1.9 1.8 6.1
107 1 10 4 41.042 82.083 1.36224 12.4 2.7 2.5 6.1
108 6 3 3 41.08 82.16 1.3612 12.0 2.6 2.4 6.1
109 1 6 -6 41.31 82.62 1.35497 7.7 1.7 1.6 6.1
110 4 5 -5 41.589 83.179 1.34751 5.9 1.3 1.2 6.1
111 1 12 -2 41.769 83.538 1.34277 19.7 4.3 4.0 6.1
112 2 11 3 42.286 84.572 1.3294 19.8 4.3 4.0 6.1
113 7 1 1 42.371 84.742 1.32723 20.3 4.4 4.1 6.1
114 5 1 5 42.469 84.938 1.32476 40.1 8.7 8.1 6.1
115 1 1 -7 42.539 85.078 1.32298 34.5 7.5 7.0 6.1
116 2 10 -4 42.596 85.193 1.32154 12.6 2.7 2.5 6.1
117 5 9 1 42.64 85.28 1.32045 4.8 1.1 1.0 6.1
118 6 6 -2 42.749 85.499 1.31772 35.1 7.6 7.1 6.1
119 2 6 6 42.879 85.759 1.3145 28.0 6.1 5.6 6.1
120 6 7 1 43.259 86.517 1.30522 5.4 1.2 1.1 6.1
121 5 6 -4 43.307 86.614 1.30405 8.8 1.9 1.8 6.1
122 3 12 0 43.831 87.661 1.29159 7.2 1.6 1.4 6.2
123 2 9 5 44.284 88.569 1.28106 6.1 1.3 1.2 6.2
124 4 11 -1 44.324 88.648 1.28015 9.3 2.0 1.9 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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