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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FERUVITE
1, s-tourmaline
CaFe(3)(Al,Mg)(6)[BO(3)](3)Si(6)O(18)(OH)(4)
Hexagonal R 3m Z = 3
R =0.016
18 .7 .1990
Ref.Str.:
Grice J.D., Robinson G.W. (1989)
* Canad. Mineral., 27, 199-203
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.012 alpha = 90.0
b = 16.012 beta = 90.0
c = 7.245 gamma = 120.0
Unit cell volume (cub. angs.) = 1608.64
Molar volume ( cub.cm/mol.) = 322.98
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.2222 0.02 Ca = 0.62, Na = 0.39, K = 0.01
2 0.123 0.0615 0.6366 0.01 Fe = 0.51, Mg = 0.4 , Ti = 0.09
3 0.2983 0.2617 0.6113 0.01 Al = 0.79, Mg = 0.14, Fe = 0.07
4 0.11 0.22 0.4518 0.01 B = 1.00
5 0.1915 0.1899 0.0 0.01 Si = 1.00
6 0.0 0.0 0.7812 0.02 O = 1.00
7 0.0607 0.1214 0.4764 0.01 O = 1.00
8 0.266 0.133 0.5125 0.01 O = 1.00
9 0.0919 0.1838 0.071 0.01 O = 1.00
10 0.1814 0.0907 0.0902 0.01 O = 1.00
11 0.1953 0.1862 0.7789 0.01 O = 1.00
12 0.2842 0.2835 0.0789 0.01 O = 1.00
13 0.2088 0.2695 0.4411 0.01 O = 1.00
14 0.0 0.0 0.725 0.01 H = 1.00
15 0.258 0.129 0.412 0.01 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.2222
2 2 0.123 0.0615 0.6366
3 3 0.2983 0.2617 0.6113
4 4 0.11 0.22 0.4518
5 5 0.1915 0.1899 0.0
6 6 0.0 0.0 0.7812
7 7 0.0607 0.1214 0.4764
8 8 0.266 0.133 0.5125
9 9 0.0919 0.1838 0.071
10 10 0.1814 0.0907 0.0902
11 11 0.1953 0.1862 0.7789
12 12 0.2842 0.2835 0.0789
13 13 0.2088 0.2695 0.4411
14 14 0.0 0.0 0.725
15 15 0.258 0.129 0.412
16 2 0.9385 0.0615 0.6366
17 2 0.9385 0.877 0.6366
18 3 0.7383 0.0366 0.6113
19 3 0.9634 0.7017 0.6113
20 4 0.78 0.89 0.4518
21 4 0.11 0.89 0.4518
22 5 0.8102 0.0017 0.0
23 5 0.9984 0.8085 0.0
24 7 0.8786 0.9393 0.4764
25 7 0.0607 0.9393 0.4764
26 8 0.867 0.133 0.5125
27 8 0.867 0.734 0.5125
28 9 0.8162 0.9081 0.071
29 9 0.0919 0.9081 0.071
30 10 0.9093 0.0907 0.0902
31 10 0.9093 0.8186 0.0902
32 11 0.8138 0.0091 0.7789
33 11 0.9909 0.8047 0.7789
34 12 0.7165 0.0007 0.0789
35 12 0.9993 0.7158 0.0789
36 13 0.7305 0.9393 0.4411
37 13 0.0607 0.7912 0.4411
38 15 0.871 0.129 0.412
39 15 0.871 0.742 0.412
40 1 0.6667 0.3333 0.5555
41 1 0.3333 0.6667 0.8889
42 2 0.6052 0.3948 0.9699
43 2 0.2718 0.5437 0.3033
44 3 0.405 0.37 0.9447
45 3 0.2967 0.3683 0.278
46 4 0.4466 0.2233 0.7851
47 4 0.4434 0.5567 0.1184
48 5 0.4768 0.335 0.3333
49 5 0.3317 0.4751 0.6667
50 6 0.6667 0.3333 0.1145
51 6 0.3333 0.6667 0.4479
52 7 0.5453 0.2726 0.8097
53 7 0.394 0.606 0.1431
54 8 0.5337 0.4663 0.8458
55 8 0.2003 0.4007 0.1792
56 9 0.4829 0.2414 0.4043
57 9 0.4252 0.5748 0.7377
58 10 0.576 0.424 0.4235
59 10 0.2426 0.4853 0.7569
60 11 0.4805 0.3424 0.1122
61 11 0.3242 0.4714 0.4456
62 12 0.3832 0.334 0.4122
63 12 0.3326 0.3825 0.7456
64 13 0.3972 0.2726 0.7744
65 13 0.394 0.4579 0.1078
66 14 0.6667 0.3333 0.0583
67 14 0.3333 0.6667 0.3917
68 15 0.5377 0.4623 0.7453
69 15 0.2043 0.4087 0.0787
70 2 0.6052 0.2104 0.9699
71 2 0.4563 0.7282 0.3033
72 2 0.7897 0.3948 0.9699
73 2 0.2718 0.7282 0.3033
74 3 0.63 0.035 0.9447
75 3 0.6316 0.9283 0.278
76 3 0.965 0.595 0.9447
77 3 0.0717 0.7033 0.278
78 4 0.7767 0.2233 0.7851
79 4 0.4433 0.8867 0.1184
80 4 0.7767 0.5534 0.7851
81 4 0.1133 0.5566 0.1184
82 5 0.665 0.1418 0.3333
83 5 0.5248 0.8565 0.6667
84 5 0.8582 0.5232 0.3333
85 5 0.1435 0.6683 0.6667
86 7 0.7274 0.2726 0.8097
87 7 0.394 0.7881 0.1431
88 7 0.7274 0.4547 0.8097
89 7 0.2119 0.6059 0.1431
90 8 0.5337 0.0673 0.8458
91 8 0.5993 0.7997 0.1792
92 8 0.9327 0.4663 0.8458
93 8 0.2003 0.7996 0.1792
94 9 0.7586 0.2414 0.4043
95 9 0.4252 0.8505 0.7377
96 9 0.7586 0.5171 0.4043
97 9 0.1495 0.5747 0.7377
98 10 0.576 0.1519 0.4235
99 10 0.5147 0.7574 0.7569
100 10 0.8481 0.424 0.4235
101 10 0.2426 0.7573 0.7569
102 11 0.6576 0.138 0.1122
103 11 0.5286 0.8529 0.4456
104 11 0.862 0.5195 0.1122
105 11 0.1471 0.6758 0.4456
106 12 0.666 0.0491 0.4122
107 12 0.6175 0.9502 0.7456
108 12 0.9509 0.6168 0.4122
109 12 0.0498 0.6674 0.7456
110 13 0.7274 0.1245 0.7744
111 13 0.5421 0.9362 0.1078
112 13 0.8755 0.6028 0.7744
113 13 0.0638 0.606 0.1078
114 15 0.5377 0.0753 0.7453
115 15 0.5913 0.7957 0.0787
116 15 0.9247 0.4623 0.7453
117 15 0.2043 0.7957 0.0787
118 3 0.2983 0.0367 0.6113
119 5 0.1915 0.0017 0.0
120 11 0.1953 0.0091 0.7789
121 12 0.2842 0.0007 0.0789
122 13 0.2088 0.9393 0.4411
123 3 0.7383 0.7017 0.6113
124 3 0.9634 0.2617 0.6113
125 5 0.8102 0.8085 0.0
126 5 0.9984 0.1899 0.0
127 11 0.8138 0.8047 0.7789
128 11 0.9909 0.1862 0.7789
129 12 0.7165 0.7158 0.0789
130 12 0.9993 0.2835 0.0789
131 13 0.7305 0.7912 0.4411
132 13 0.0607 0.2695 0.4411
133 3 0.405 0.035 0.9447
134 3 0.2967 0.9283 0.278
135 5 0.4768 0.1418 0.3333
136 5 0.3317 0.8565 0.6667
137 11 0.4805 0.138 0.1122
138 11 0.3242 0.8529 0.4456
139 12 0.3832 0.0491 0.4122
140 12 0.3326 0.9502 0.7456
141 13 0.3972 0.1245 0.7744
142 13 0.394 0.9362 0.1078
143 3 0.63 0.595 0.9447
144 3 0.6316 0.7033 0.278
145 3 0.965 0.37 0.9447
146 3 0.0717 0.3684 0.278
147 5 0.665 0.5232 0.3333
148 5 0.5248 0.6683 0.6667
149 5 0.8582 0.335 0.3333
150 5 0.1435 0.4752 0.6667
151 11 0.6576 0.5195 0.1122
152 11 0.5286 0.6758 0.4456
153 11 0.862 0.3424 0.1122
154 11 0.1471 0.4714 0.4456
155 12 0.666 0.6168 0.4122
156 12 0.6175 0.6674 0.7456
157 12 0.9509 0.334 0.4122
158 12 0.0498 0.3825 0.7456
159 13 0.7274 0.6028 0.7744
160 13 0.5421 0.606 0.1078
161 13 0.8755 0.2726 0.7744
162 13 0.0638 0.4579 0.1078
X-ray density (g/cm cub.) = 3.2
MU (1/cm) = 165.498 Mass attenuation coefficient (cm**2/g) = 51.679
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na ,K 3.228 10
3.1952 6
2.495 7
2.7742 9
2.6911 10
2.495 7
2.4951 7
2.7742 9
2.7743 9
2.691 10
2.6911 10
2 Fe ,Mg ,Ti 2.592 6
2.0015 6
2.054 7
2.1774 8
2.0196 11
2.0539 7
2.0195 11
3 Al ,Mg ,Fe 2.592 6
1.9897 8
1.9136 11
1.9419 13
1.9221 12
1.9814 12
1.9116 13
4 B 1.872 3
1.3793 7
1.3721 13
1.3719 13
5 Si 2.1 4
1.632 9
1.6482 10
1.6052 11
1.5977 12
6 O 3.264 9
2.7768 7
3.0569 11
2.7768 7
2.7768 7
3.0569 11
3.057 11
3.0569 11
3.0569 11
3.057 11
7 O 3.264 10
2.7768 6
3.2091 8
3.0619 9
2.879 11
2.3851 13
2.9159 7
2.9159 7
3.209 8
2.879 11
2.3852 13
8 O 3.264 11
3.2091 7
2.5878 11
2.8081 13
3.209 7
3.1076 9
2.893 12
2.8836 13
2.5878 11
2.8081 13
2.893 12
2.8836 13
9 O 3.264 10
3.0619 7
2.5361 10
2.6754 11
2.6678 12
3.1635 13
2.5361 10
3.1076 8
2.6753 11
2.6678 12
3.1635 13
10 O 3.264 6
2.5361 9
2.671 11
2.6767 12
2.5361 9
2.671 11
2.6767 12
11 O 3.264 10
3.0569 6
2.879 7
2.5878 8
2.6754 9
2.671 10
2.6382 12
2.7435 13
2.8034 12
2.809 13
2.8357 11
12 O 3.264 10
2.6678 9
2.6767 10
2.6382 11
2.8501 13
2.893 8
2.8034 11
2.7777 12
2.7777 12
2.9125 13
2.4538 13
13 O 3.264 10
2.3851 7
2.8081 8
3.1635 9
2.7435 11
2.8501 12
2.8836 8
2.809 11
2.4538 12
2.9124 12
2.3713 13
14 H 1.632 1
0.4072 6
15 H 1.632 1
0.7365 8
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 1 1 0 6.415 12.829 0.062 157.26 6 33.4 40.8
2 1 0 1 8.007 16.014 0.078 100.13 6 103.9 250.5
3 2 0 -1 10.286 20.572 0.1 59.81 6 93.1 120.2
4 3 0 0 11.158 22.316 0.108 50.51 6 114.9 154.7
5 2 1 1 12.16 24.319 0.118 42.2 12 134.7 354.9
6 2 2 0 12.912 25.823 0.125 37.2 6 204.1 359.4
7 1 0 -2 14.786 29.571 0.143 27.89 6 220.7 315.0
8 3 1 -1 15.266 30.533 0.147 26.04 12 57.7 40.3
9 2 0 2 16.176 32.352 0.156 22.99 6 47.9 12.2
10 4 0 1 16.62 33.241 0.16 21.68 6 36.5 6.7
11 4 1 0 17.193 34.386 0.165 20.14 12 92.4 79.7
12 2 1 -2 17.467 34.934 0.168 19.46 12 229.4 474.6
13 3 2 1 17.883 35.766 0.172 18.48 12 91.3 71.5
14 3 3 0 19.583 39.166 0.187 15.13 6 22.5 1.8
15 3 1 2 19.828 39.657 0.19 14.72 12 75.3 38.7
16 5 0 -1 20.203 40.405 0.193 14.12 6 460.0 692.5
17 4 0 -2 20.924 41.848 0.2 13.05 6 89.0 24.0
18 4 2 -1 21.282 42.565 0.203 12.56 12 75.4 33.1
19 0 0 3 21.739 43.478 0.207 11.98 2 226.9 47.7
20 3 2 -2 21.975 43.949 0.209 11.69 12 134.4 97.9
21 5 1 1 22.319 44.639 0.212 11.29 12 134.6 94.8
22 1 1 3 22.759 45.519 0.216 10.8 12 26.9 3.6
23 6 0 0 22.769 45.539 0.216 10.79 6 98.1 24.1
24 5 2 0 23.755 47.51 0.225 9.81 12 56.8 14.7
25 5 0 2 23.965 47.931 0.227 9.61 6 200.2 89.3
26 4 3 1 24.288 48.576 0.23 9.32 12 139.2 83.8
27 3 0 -3 24.701 49.402 0.234 8.97 6 124.8 32.4
28 3 0 3 24.701 49.402 0.234 8.97 6 155.7 50.4
29 4 2 2 24.915 49.83 0.235 8.8 12 92.0 34.5
30 2 2 3 25.63 51.26 0.242 8.25 12 153.0 89.5
31 5 1 -2 25.838 51.677 0.244 8.1 12 291.6 319.3
32 6 1 -1 26.144 52.288 0.246 7.88 12 135.5 67.1
33 4 4 0 26.545 53.089 0.25 7.62 6 134.7 32.0
34 4 3 -2 27.619 55.238 0.259 6.96 12 235.2 178.6
35 5 3 -1 27.911 55.822 0.262 6.79 12 61.3 11.8
36 7 0 1 27.911 55.822 0.262 6.79 6 38.7 2.4
37 4 1 -3 28.286 56.572 0.265 6.59 12 117.8 42.4
38 4 1 3 28.286 56.572 0.265 6.59 12 48.9 7.3
39 6 2 1 28.767 57.534 0.269 6.35 12 131.7 51.1
40 7 1 0 29.143 58.286 0.272 6.16 12 35.7 3.6
41 6 1 2 29.326 58.652 0.274 6.08 12 60.5 10.3
42 1 0 4 29.87 59.74 0.278 5.83 6 68.7 6.4
43 3 3 3 29.968 59.936 0.279 5.79 12 105.2 29.7
44 2 0 -4 30.691 61.382 0.285 5.49 6 117.2 17.5
45 6 3 0 30.796 61.592 0.286 5.45 12 34.4 3.0
46 5 3 2 30.973 61.945 0.288 5.38 12 47.5 5.6
47 7 0 -2 30.973 61.945 0.288 5.38 6 73.6 6.8
48 5 4 1 31.245 62.49 0.29 5.27 12 50.1 6.1
49 2 1 4 31.5 62.999 0.292 5.18 12 35.7 3.1
50 6 2 -2 31.777 63.554 0.294 5.08 12 106.9 26.9
51 8 0 -1 32.046 64.091 0.297 4.99 6 12.6 0.2
52 6 0 -3 32.391 64.782 0.299 4.88 6 288.8 94.3
53 6 0 3 32.391 64.782 0.299 4.88 6 205.2 47.6
54 7 2 -1 32.835 65.671 0.303 4.74 12 197.7 85.8
55 3 1 -4 33.083 66.167 0.305 4.66 12 41.2 3.7
56 5 2 -3 33.176 66.353 0.306 4.63 12 17.9 0.7
57 5 2 3 33.176 66.353 0.306 4.63 12 49.5 5.3
58 4 0 4 33.861 67.721 0.311 4.44 6 158.6 25.9
59 5 5 0 33.96 67.921 0.312 4.41 6 364.6 135.9
60 5 4 -2 34.128 68.256 0.314 4.36 12 121.6 29.9
61 8 1 1 34.387 68.774 0.316 4.3 12 87.2 15.1
62 3 2 4 34.629 69.259 0.318 4.24 12 85.2 14.3
63 8 0 2 34.894 69.788 0.32 4.17 6 66.4 4.3
64 6 4 -1 35.15 70.301 0.322 4.11 12 111.6 23.7
65 4 4 3 35.48 70.961 0.324 4.03 12 22.3 0.9
66 9 0 0 35.488 70.976 0.325 4.03 6 173.1 28.0
67 7 2 2 35.653 71.305 0.326 3.99 12 144.3 38.6
68 7 3 1 35.906 71.813 0.328 3.94 12 74.7 10.2
69 5 0 -4 36.144 72.289 0.33 3.89 6 356.6 114.7
70 8 2 0 36.241 72.482 0.33 3.87 12 119.5 25.6
71 4 2 -4 36.892 73.784 0.336 3.74 12 135.9 32.0
72 8 1 -2 37.15 74.3 0.338 3.69 12 82.5 11.6
73 5 1 4 37.634 75.269 0.341 3.61 12 265.4 117.8
74 7 1 -3 37.722 75.444 0.342 3.59 12 123.2 25.3
75 7 1 3 37.722 75.444 0.342 3.59 12 82.4 11.3
76 6 4 2 37.89 75.781 0.343 3.56 12 141.9 33.3
77 1 0 -5 38.364 76.728 0.347 3.49 6 213.4 36.8
78 7 4 0 38.466 76.932 0.348 3.47 12 168.6 45.7
79 7 3 -2 38.626 77.252 0.349 3.44 12 44.0 3.1
80 6 5 1 38.872 77.745 0.351 3.41 12 178.9 50.6
81 9 1 -1 38.872 77.745 0.351 3.41 12 74.4 8.7
82 2 0 5 39.097 78.193 0.353 3.38 6 46.3 1.7
83 4 3 4 39.104 78.208 0.353 3.37 12 207.5 67.4
84 6 3 -3 39.191 78.382 0.353 3.36 12 80.5 10.1
85 6 3 3 39.191 78.382 0.353 3.36 12 135.2 28.5
86 2 1 -5 39.825 79.651 0.358 3.28 12 25.8 1.0
87 8 3 -1 40.329 80.658 0.362 3.21 12 83.6 10.4
88 6 1 -4 40.558 81.116 0.363 3.19 12 50.5 3.8
89 10 0 1 41.052 82.104 0.367 3.13 6 327.3 77.8
90 3 1 5 41.273 82.547 0.369 3.11 12 52.1 3.9
91 6 5 -2 41.531 83.061 0.371 3.08 12 123.9 21.9
92 9 1 2 41.531 83.061 0.371 3.08 12 79.9 9.1
93 9 2 1 41.773 83.546 0.372 3.06 12 56.0 4.5
94 4 0 -5 41.994 83.987 0.374 3.04 6 159.7 18.0
95 5 3 -4 42.001 84.002 0.374 3.04 12 124.0 21.7
96 7 0 4 42.001 84.002 0.374 3.04 6 112.7 8.9
97 5 5 3 42.086 84.173 0.375 3.03 12 156.3 34.3
98 6 6 0 42.093 84.187 0.375 3.03 6 222.3 34.7
99 3 2 -5 42.712 85.424 0.379 2.98 12 101.0 14.1
100 6 2 4 42.719 85.438 0.379 2.98 12 74.5 7.7
101 10 1 0 42.812 85.623 0.38 2.97 12 239.2 78.7
102 8 3 2 42.968 85.935 0.381 2.96 12 131.9 23.8
103 7 5 -1 43.209 86.418 0.383 2.94 12 94.9 12.3
104 9 0 -3 43.521 87.042 0.385 2.92 6 40.8 1.1
105 9 0 3 43.521 87.042 0.385 2.92 6 106.6 7.7
106 10 0 -2 43.684 87.368 0.386 2.9 6 129.9 11.4
107 8 4 1 43.925 87.85 0.388 2.89 12 94.9 12.1
108 5 0 5 44.145 88.289 0.389 2.88 6 369.6 91.1
109 8 2 -3 44.237 88.473 0.39 2.87 12 130.4 22.6
110 8 2 3 44.237 88.473 0.39 2.87 12 46.2 2.8
111 9 3 0 44.244 88.488 0.39 2.87 12 135.5 24.4
112 9 2 -2 44.4 88.799 0.391 2.86 12 39.2 2.0
113 4 2 5 44.86 89.72 0.394 2.84 12 30.4 1.2
114 5 4 4 44.867 89.734 0.394 2.84 12 121.3 19.3
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 1 0 6.415 12.829 8.006 40.8 5.9 6.0 5.6
2 1 0 1 8.007 16.014 6.42138 250.5 36.2 36.9 5.6
3 2 0 1 10.286 20.572 5.00919 120.2 17.4 17.6 5.6
4 3 0 0 11.158 22.316 4.62227 154.7 22.3 22.7 5.6
5 2 1 1 12.16 24.319 4.24649 354.9 51.2 52.0 5.6
6 2 2 0 12.912 25.823 4.003 359.4 51.9 52.6 5.6
7 1 0 2 14.786 29.571 3.50488 315.0 45.5 45.9 5.6
8 3 1 1 15.266 30.533 3.397 40.3 5.8 5.9 5.6
9 2 0 2 16.176 32.352 3.21069 12.2 1.8 1.8 5.6
10 4 1 0 17.193 34.386 3.02598 79.7 11.5 11.6 5.7
11 2 1 2 17.467 34.934 2.97998 474.6 68.5 68.9 5.7
12 3 2 1 17.883 35.766 2.91282 71.5 10.3 10.4 5.7
13 3 1 2 19.828 39.657 2.63695 38.7 5.6 5.6 5.7
14 5 0 1 20.203 40.405 2.59008 692.5 100.0 100.0 5.7
15 4 0 2 20.924 41.848 2.5046 24.0 3.5 3.5 5.7
16 4 2 1 21.282 42.565 2.46432 33.1 4.8 4.8 5.7
17 0 0 3 21.739 43.478 2.415 47.7 6.9 6.9 5.7
18 3 2 2 21.975 43.949 2.39035 97.9 14.1 14.1 5.7
19 5 1 1 22.319 44.639 2.35527 94.8 13.7 13.6 5.7
20 6 0 0 22.769 45.539 2.31113 27.7 4.0 4.0 5.7
21 5 2 0 23.755 47.51 2.22046 14.7 2.1 2.1 5.7
22 5 0 2 23.965 47.931 2.2021 89.3 12.9 12.8 5.7
23 4 3 1 24.288 48.576 2.17458 83.8 12.1 12.0 5.7
24 3 0 3 24.701 49.402 2.14046 82.8 12.0 11.8 5.7
25 4 2 2 24.915 49.83 2.12324 34.5 5.0 4.9 5.7
26 2 2 3 25.63 51.26 2.06783 89.5 12.9 12.8 5.8
27 5 1 2 25.838 51.677 2.0523 319.3 46.1 45.5 5.8
28 6 1 1 26.144 52.288 2.02996 67.1 9.7 9.6 5.8
29 4 4 0 26.545 53.089 2.0015 32.0 4.6 4.6 5.8
30 4 3 2 27.619 55.238 1.92942 178.6 25.8 25.3 5.8
31 5 3 1 27.911 55.822 1.91083 14.2 2.0 2.0 5.8
32 4 1 3 28.286 56.572 1.88756 49.7 7.2 7.0 5.8
33 6 2 1 28.767 57.534 1.85862 51.1 7.4 7.2 5.8
34 6 1 2 29.326 58.652 1.82627 10.3 1.5 1.5 5.8
35 3 3 3 29.968 59.936 1.79064 29.7 4.3 4.2 5.8
36 2 0 4 30.691 61.382 1.75244 17.5 2.5 2.5 5.8
37 7 0 2 30.973 61.945 1.73806 12.4 1.8 1.7 5.8
38 6 2 2 31.777 63.554 1.6985 26.9 3.9 3.8 5.9
39 6 0 3 32.391 64.782 1.66973 141.9 20.5 19.9 5.9
40 7 2 1 32.835 65.671 1.6496 85.8 12.4 12.0 5.9
41 4 0 4 33.861 67.721 1.60534 25.9 3.7 3.6 5.9
42 5 5 0 33.96 67.921 1.6012 135.9 19.6 18.9 5.9
43 5 4 2 34.128 68.256 1.59427 29.9 4.3 4.2 5.9
44 8 1 1 34.387 68.774 1.58373 15.1 2.2 2.1 5.9
45 3 2 4 34.629 69.259 1.57401 14.3 2.1 2.0 5.9
46 6 4 1 35.15 70.301 1.55363 23.7 3.4 3.3 5.9
47 9 0 0 35.488 70.976 1.54076 28.0 4.0 3.9 5.9
48 7 2 2 35.653 71.305 1.53458 38.6 5.6 5.3 5.9
49 7 3 1 35.906 71.813 1.52518 10.2 1.5 1.4 5.9
50 5 0 4 36.144 72.289 1.51649 114.7 16.6 15.8 5.9
51 8 2 0 36.241 72.482 1.51299 25.6 3.7 3.5 5.9
52 4 2 4 36.892 73.784 1.48999 32.0 4.6 4.4 6.0
53 8 1 2 37.15 74.3 1.48113 11.6 1.7 1.6 6.0
54 5 1 4 37.634 75.269 1.46484 117.8 17.0 16.2 6.0
55 7 1 3 37.722 75.444 1.46193 36.6 5.3 5.0 6.0
56 6 4 2 37.89 75.781 1.45641 33.3 4.8 4.6 6.0
57 1 0 5 38.364 76.728 1.44115 36.8 5.3 5.0 6.0
58 7 4 0 38.466 76.932 1.43792 45.7 6.6 6.3 6.0
59 6 5 1 38.872 77.745 1.42523 59.3 8.6 8.1 6.0
60 4 3 4 39.104 78.208 1.41813 69.1 10.0 9.4 6.0
61 6 3 3 39.191 78.382 1.4155 38.6 5.6 5.3 6.0
62 8 3 1 40.329 80.658 1.3821 10.4 1.5 1.4 6.1
63 10 0 1 41.052 82.104 1.36196 77.8 11.2 10.5 6.1
64 6 5 2 41.531 83.061 1.34907 31.1 4.5 4.2 6.1
65 5 3 4 42.001 84.002 1.33673 48.6 7.0 6.5 6.1
66 6 6 0 42.093 84.187 1.33433 69.0 10.0 9.3 6.1
67 3 2 5 42.712 85.424 1.31866 21.7 3.1 2.9 6.1
68 10 1 0 42.812 85.623 1.31618 78.7 11.4 10.6 6.1
69 8 3 2 42.968 85.935 1.31232 23.8 3.4 3.2 6.1
70 7 5 1 43.209 86.418 1.30643 12.3 1.8 1.6 6.1
71 9 0 3 43.521 87.042 1.29892 8.8 1.3 1.2 6.1
72 10 0 2 43.684 87.368 1.29504 11.4 1.6 1.5 6.2
73 8 4 1 43.925 87.85 1.28937 12.1 1.7 1.6 6.2
74 5 0 5 44.145 88.289 1.28428 91.1 13.2 12.1 6.2
75 9 3 0 44.244 88.488 1.28199 49.9 7.2 6.6 6.2
76 5 4 4 44.867 89.734 1.2679 20.6 3.0 2.7 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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