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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LANGITE
1, f-langite
Cu(4)(OH)(6)SO(4).2H(2)O
Monoclinic P c Z = 2
R =0.044 NR =3093
2 .3 .1990
Ref.Str.:
M. Gentsch, K. Weber (1984)
* Acta Cryst., C 40, 1309-1311
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.137 alpha = 90.0
b = 6.031 beta = 90.0
c = 11.217 gamma = 90.0
Unit cell volume (cub. angs.) = 482.82
Molar volume ( cub.cm/mol.) = 145.41
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.9973 0.5 0.0 Cu = 1.00
2 0.007 0.5081 0.4979 0.0 Cu = 1.00
3 0.9973 0.2448 0.2468 0.0 Cu = 1.00
4 0.9909 0.7456 0.2483 0.0 Cu = 1.00
5 0.4226 0.1822 0.0829 0.0 S = 1.00
6 0.4803 0.0476 0.1861 0.0 O = 1.00
7 0.2173 0.2304 0.0916 0.0 O = 1.00
8 0.524 0.3938 0.0792 0.0 O = 1.00
9 0.4598 0.9397 0.472 0.0 O = 1.00
10 0.1391 0.744 0.056 0.0 O = 1.00
11 0.8828 0.51 0.6598 0.0 O = 1.00
12 0.8588 0.2463 0.9431 0.0 O = 1.00
13 0.112 0.0015 0.3398 0.0 O = 1.00
14 0.8754 0.006 0.6632 0.0 O = 1.00
15 0.1112 0.504 0.8372 0.0 O = 1.00
16 0.7386 0.262 0.4023 0.0 O = 1.00
17 0.4827 0.5795 0.3035 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.9973 0.5
2 2 0.007 0.5081 0.4979
3 3 0.9973 0.2448 0.2468
4 4 0.9909 0.7456 0.2483
5 5 0.4226 0.1822 0.0829
6 6 0.4803 0.0476 0.1861
7 7 0.2173 0.2304 0.0916
8 8 0.524 0.3938 0.0792
9 9 0.4598 0.9397 0.472
10 10 0.1391 0.744 0.056
11 11 0.8828 0.51 0.6598
12 12 0.8588 0.2463 0.9431
13 13 0.112 0.0015 0.3398
14 14 0.8754 0.006 0.6632
15 15 0.1112 0.504 0.8372
16 16 0.7386 0.262 0.4023
17 17 0.4827 0.5795 0.3035
18 1 0.0 0.0027 0.0
19 2 0.007 0.4919 0.9979
20 3 0.9973 0.7552 0.7468
21 4 0.9909 0.2544 0.7483
22 5 0.4226 0.8178 0.5829
23 6 0.4803 0.9524 0.6861
24 7 0.2173 0.7696 0.5916
25 8 0.524 0.6062 0.5792
26 9 0.4598 0.0603 0.972
27 10 0.1391 0.256 0.556
28 11 0.8828 0.49 0.1598
29 12 0.8588 0.7537 0.4431
30 13 0.112 0.9985 0.8398
31 14 0.8754 0.994 0.1632
32 15 0.1112 0.496 0.3372
33 16 0.7386 0.738 0.9023
34 17 0.4827 0.4205 0.8035
X-ray density (g/cm cub.) = 3.29
MU (1/cm) = 127.286 Mass attenuation coefficient (cm**2/g) = 38.707
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 6
1.9669 13
2.0359 14
2.6889 16
2.3123 7
1.9531 10
1.8924 12
2 Cu 2.808 6
2.0209 11
2.65 16
2.4176 7
1.904 10
1.9211 12
1.9513 15
3 Cu 2.808 6
2.346 7
1.9777 13
2.5421 16
1.9512 11
1.9809 14
1.9961 15
4 Cu 2.808 6
2.4024 10
2.0451 13
1.9892 11
2.3803 12
1.9583 14
1.9994 15
5 S 1.98 4
1.4726 6
1.497 7
1.4677 8
1.4692 9
6 O 3.264 6
2.4212 7
2.4279 8
3.1558 13
3.1152 17
2.4072 9
2.8499 14
7 O 3.264 10
2.4212 6
2.4045 8
3.1726 10
3.0127 10
3.0546 12
3.1971 13
2.4182 9
2.9556 11
3.2401 13
2.938 14
8 O 3.264 8
2.4279 6
2.4045 7
2.9718 12
2.7697 17
2.3877 9
2.777 11
3.2546 16
3.1107 17
9 O 3.264 8
2.9154 13
2.8894 16
2.8841 17
2.4072 6
2.4182 7
2.3877 8
3.125 10
3.0778 12
10 O 3.264 7
3.0127 7
3.1726 7
2.8563 15
3.125 9
2.6549 11
2.8765 13
2.6947 14
11 O 3.264 8
2.9921 14
3.0403 14
2.5726 15
2.9556 7
2.777 8
2.6549 10
2.8457 12
3.217 16
12 O 3.264 9
3.0546 7
2.9718 8
2.6592 15
3.0778 9
2.8457 11
2.6157 13
2.9025 14
3.1208 16
3.2161 16
13 O 3.264 10
3.1558 6
3.1971 7
2.9154 9
3.172 16
3.2401 7
2.8765 10
2.6157 12
2.6034 14
2.9825 15
3.0488 15
14 O 3.264 7
3.0403 11
2.9921 11
2.8499 6
2.938 7
2.6947 10
2.9025 12
2.6034 13
15 O 3.264 7
2.8563 10
2.5726 11
2.6592 12
2.9825 13
3.0488 13
3.0978 16
2.7251 17
16 O 3.264 8
2.8894 9
3.172 13
2.8689 17
3.2546 8
3.217 11
3.1208 12
3.2161 12
3.0978 15
17 O 3.264 6
3.1152 6
2.7697 8
2.8841 9
2.8689 16
3.1107 8
2.7251 15
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 6.196 12.392 0.07 168.73 2 190.1 5232.4
2 0 1 0 7.338 14.676 0.083 119.65 2 16.6 28.2
3 0 0 2 7.894 15.788 0.089 103.08 2 42.1 157.0
4 0 1 1 8.338 16.676 0.094 92.17 4 49.4 386.6
5 1 1 0 9.626 19.252 0.109 68.61 4 16.7 32.8
6 1 0 -2 10.06 20.119 0.113 62.63 2 39.3 83.2
7 1 0 2 10.06 20.119 0.113 62.63 2 33.3 59.7
8 1 1 -1 10.414 20.829 0.117 58.3 4 37.4 139.9
9 1 1 1 10.414 20.829 0.117 58.3 4 35.5 126.3
10 0 1 2 10.81 21.62 0.122 53.96 4 20.4 38.4
11 2 0 0 12.466 24.931 0.14 40.06 2 239.3 1968.0
12 1 1 -2 12.497 24.994 0.14 39.84 4 17.1 20.1
13 1 1 2 12.497 24.994 0.14 39.84 4 18.4 23.2
14 0 1 3 14.028 28.055 0.157 31.21 4 33.1 58.7
15 2 1 0 14.525 29.051 0.163 28.97 4 23.1 26.4
16 0 2 0 14.8 29.599 0.166 27.84 2 13.1 4.1
17 2 0 -2 14.824 29.647 0.166 27.74 2 50.2 59.9
18 2 0 2 14.824 29.647 0.166 27.74 2 38.8 35.9
19 2 1 -1 15.073 30.145 0.169 26.77 4 43.9 88.7
20 2 1 1 15.073 30.145 0.169 26.77 4 50.4 116.7
21 0 2 1 15.338 30.676 0.172 25.78 4 26.4 30.9
22 1 1 -3 15.387 30.774 0.172 25.61 4 27.9 34.1
23 1 1 3 15.387 30.774 0.172 25.61 4 52.7 122.1
24 0 0 4 15.943 31.886 0.178 23.72 2 143.0 416.0
25 1 2 0 16.099 32.199 0.18 23.23 4 5.5 1.2
26 1 2 -1 16.6 33.199 0.185 21.74 4 24.8 22.9
27 1 2 1 16.6 33.199 0.185 21.74 4 23.7 21.0
28 2 1 -2 16.616 33.232 0.186 21.69 4 20.9 16.3
29 2 1 2 16.616 33.232 0.186 21.69 4 19.4 14.1
30 0 2 2 16.859 33.718 0.188 21.02 4 132.0 628.3
31 1 0 -4 17.165 34.33 0.192 20.21 2 237.4 977.7
32 1 0 4 17.165 34.33 0.192 20.21 2 111.5 215.4
33 0 1 4 17.633 35.267 0.197 19.06 4 25.7 21.6
34 1 2 -2 18.026 36.052 0.201 18.16 4 103.3 332.8
35 1 2 2 18.026 36.052 0.201 18.16 4 233.8 1702.9
36 1 1 -4 18.758 37.517 0.209 16.64 4 33.9 32.9
37 1 1 4 18.758 37.517 0.209 16.64 4 24.1 16.6
38 3 0 0 18.892 37.784 0.21 16.38 2 99.4 138.7
39 2 1 -3 18.94 37.879 0.211 16.29 4 18.7 9.7
40 2 1 3 18.94 37.879 0.211 16.29 4 12.7 4.5
41 0 2 3 19.157 38.315 0.213 15.88 4 10.8 3.2
42 2 2 0 19.538 39.076 0.217 15.21 4 45.6 54.2
43 2 2 -1 19.963 39.925 0.222 14.5 4 34.5 29.7
44 2 2 1 19.963 39.925 0.222 14.5 4 7.4 1.4
45 1 2 -3 20.21 40.419 0.224 14.1 4 3.8 0.4
46 1 2 3 20.21 40.419 0.224 14.1 4 21.8 11.5
47 3 1 0 20.369 40.738 0.226 13.86 4 13.0 4.0
48 2 0 -4 20.447 40.895 0.227 13.74 2 237.5 664.9
49 2 0 4 20.447 40.895 0.227 13.74 2 144.4 246.0
50 3 0 -2 20.592 41.184 0.228 13.53 2 52.6 32.1
51 3 0 2 20.592 41.184 0.228 13.53 2 26.6 8.2
52 3 1 -1 20.78 41.559 0.23 13.26 4 9.9 2.2
53 3 1 1 20.78 41.559 0.23 13.26 4 30.0 20.4
54 2 2 -2 21.194 42.389 0.235 12.68 4 140.9 432.3
55 2 2 2 21.194 42.389 0.235 12.68 4 221.3 1066.1
56 0 1 5 21.49 42.98 0.238 12.29 4 9.7 2.0
57 2 1 -4 21.837 43.674 0.241 11.86 4 20.7 8.7
58 2 1 4 21.837 43.674 0.241 11.86 4 28.3 16.3
59 3 1 -2 21.974 43.947 0.243 11.69 4 13.7 3.8
60 3 1 2 21.974 43.947 0.243 11.69 4 15.8 5.0
61 0 2 4 22.031 44.061 0.243 11.63 4 15.1 4.6
62 1 1 -5 22.452 44.904 0.248 11.14 4 18.5 6.6
63 1 1 5 22.452 44.904 0.248 11.14 4 42.7 34.8
64 0 3 0 22.53 45.059 0.249 11.05 2 7.1 0.5
65 0 3 1 22.909 45.818 0.253 10.64 4 26.3 12.6
66 1 2 -4 22.974 45.949 0.253 10.58 4 44.9 36.6
67 1 2 4 22.974 45.949 0.253 10.58 4 30.1 16.4
68 2 2 -3 23.128 46.256 0.255 10.42 4 11.2 2.3
69 2 2 3 23.128 46.256 0.255 10.42 4 25.1 11.2
70 1 3 0 23.458 46.915 0.258 10.09 4 14.8 3.8
71 1 3 -1 23.825 47.651 0.262 9.74 4 16.5 4.5
72 1 3 1 23.825 47.651 0.262 9.74 4 8.3 1.1
73 3 1 -3 23.857 47.715 0.263 9.71 4 17.3 5.0
74 3 1 3 23.857 47.715 0.263 9.71 4 5.0 0.4
75 0 3 2 24.018 48.037 0.264 9.56 4 14.8 3.6
76 0 0 6 24.332 48.664 0.267 9.28 2 4.1 0.1
77 3 2 0 24.357 48.713 0.268 9.26 4 21.4 7.3
78 3 2 -1 24.714 49.428 0.271 8.96 4 24.1 8.9
79 3 2 1 24.714 49.428 0.271 8.96 4 22.8 8.0
80 1 3 -2 24.904 49.808 0.273 8.81 4 15.5 3.6
81 1 3 2 24.904 49.808 0.273 8.81 4 16.5 4.1
82 3 0 -4 25.125 50.251 0.276 8.63 2 210.7 328.7
83 3 0 4 25.125 50.251 0.276 8.63 2 153.4 174.2
84 2 1 -5 25.164 50.327 0.276 8.6 4 4.6 0.3
85 2 1 5 25.164 50.327 0.276 8.6 4 16.3 3.9
86 1 0 -6 25.209 50.419 0.276 8.57 2 39.3 11.4
87 1 0 6 25.209 50.419 0.276 8.57 2 26.1 5.0
88 0 2 5 25.338 50.675 0.278 8.47 4 11.7 2.0
89 0 1 6 25.554 51.109 0.28 8.3 4 10.4 1.5
90 4 0 0 25.576 51.152 0.28 8.29 2 158.8 179.2
91 2 2 -4 25.644 51.288 0.281 8.24 4 18.6 4.9
92 2 2 4 25.644 51.288 0.281 8.24 4 26.6 10.0
93 3 2 -2 25.765 51.53 0.282 8.15 4 166.7 388.8
94 3 2 2 25.765 51.53 0.282 8.15 4 224.1 702.2
95 0 3 3 25.787 51.575 0.282 8.14 4 3.0 0.1
96 2 3 0 26.09 52.18 0.285 7.92 4 9.9 1.3
97 1 2 -5 26.19 52.38 0.286 7.85 4 19.7 5.2
98 1 2 5 26.19 52.38 0.286 7.85 4 6.9 0.6
99 3 1 -4 26.321 52.641 0.288 7.76 4 33.8 15.3
100 3 1 4 26.321 52.641 0.288 7.76 4 19.6 5.1
101 1 1 -6 26.402 52.804 0.289 7.71 4 9.8 1.3
102 1 1 6 26.402 52.804 0.289 7.71 4 9.6 1.2
103 2 3 -1 26.43 52.86 0.289 7.69 4 23.7 7.4
104 2 3 1 26.43 52.86 0.289 7.69 4 32.9 14.2
105 1 3 -3 26.63 53.259 0.291 7.56 4 14.6 2.8
106 1 3 3 26.63 53.259 0.291 7.56 4 26.7 9.2
107 4 1 0 26.757 53.514 0.292 7.48 4 24.9 7.9
108 4 0 -2 26.938 53.877 0.294 7.36 2 24.7 3.9
109 4 0 2 26.938 53.877 0.294 7.36 2 26.0 4.3
110 4 1 -1 27.092 54.183 0.296 7.27 4 22.8 6.5
111 4 1 1 27.092 54.183 0.296 7.27 4 7.4 0.7
112 2 3 -2 27.434 54.868 0.299 7.07 4 11.5 1.6
113 2 3 2 27.434 54.868 0.299 7.07 4 15.0 2.7
114 3 2 -3 27.452 54.904 0.299 7.06 4 5.5 0.4
115 3 2 3 27.452 54.904 0.299 7.06 4 22.6 6.2
116 2 0 -6 27.719 55.439 0.302 6.9 2 41.4 10.1
117 2 0 6 27.719 55.439 0.302 6.9 2 13.6 1.1
118 4 1 -2 28.079 56.158 0.306 6.7 4 25.0 7.2
119 4 1 2 28.079 56.158 0.306 6.7 4 19.5 4.4
120 0 3 4 28.128 56.257 0.306 6.68 4 23.0 6.0
121 2 2 -5 28.64 57.28 0.311 6.41 4 12.6 1.7
122 2 2 5 28.64 57.28 0.311 6.41 4 9.5 1.0
123 2 1 -6 28.84 57.679 0.313 6.31 4 10.1 1.1
124 2 1 6 28.84 57.679 0.313 6.31 4 12.6 1.7
125 1 3 -4 28.924 57.847 0.314 6.27 4 22.4 5.4
126 1 3 4 28.924 57.847 0.314 6.27 4 26.5 7.5
127 0 2 6 28.998 57.996 0.315 6.23 4 237.1 601.2
128 2 3 -3 29.054 58.109 0.315 6.2 4 12.2 1.6
129 2 3 3 29.054 58.109 0.315 6.2 4 23.8 6.0
130 3 1 -5 29.269 58.539 0.317 6.1 4 18.8 3.7
131 3 1 5 29.269 58.539 0.317 6.1 4 17.7 3.3
132 4 1 -3 29.677 59.353 0.321 5.92 4 32.3 10.6
133 4 1 3 29.677 59.353 0.321 5.92 4 36.7 13.7
134 3 2 -4 29.704 59.408 0.322 5.9 4 18.1 3.3
135 3 2 4 29.704 59.408 0.322 5.9 4 37.3 14.1
136 1 2 -6 29.779 59.557 0.322 5.87 4 171.8 297.1
137 1 2 6 29.779 59.557 0.322 5.87 4 173.6 303.5
138 0 1 7 29.826 59.653 0.323 5.85 4 41.7 17.5
139 4 2 0 30.107 60.215 0.326 5.73 4 33.5 11.1
140 3 3 0 30.109 60.218 0.326 5.73 4 16.5 2.7
141 4 2 -1 30.418 60.835 0.329 5.6 4 36.9 13.1
142 4 2 1 30.418 60.835 0.329 5.6 4 12.5 1.5
143 3 3 -1 30.419 60.838 0.329 5.6 4 24.6 5.8
144 3 3 1 30.419 60.838 0.329 5.6 4 15.3 2.2
145 1 1 -7 30.594 61.188 0.33 5.53 4 16.8 2.7
146 1 1 7 30.594 61.188 0.33 5.53 4 22.8 4.9
147 0 4 0 30.722 61.445 0.332 5.48 2 208.6 204.5
148 4 0 -4 30.776 61.553 0.332 5.45 2 161.7 122.3
149 4 0 4 30.776 61.553 0.332 5.45 2 179.6 150.9
150 0 3 5 30.964 61.927 0.334 5.38 4 22.4 4.6
151 0 4 1 31.029 62.058 0.335 5.36 4 26.8 6.6
152 2 3 -4 31.233 62.465 0.337 5.28 4 21.0 4.0
153 2 3 4 31.233 62.465 0.337 5.28 4 21.6 4.2
154 4 2 -2 31.338 62.676 0.338 5.24 4 186.6 313.2
155 4 2 2 31.338 62.676 0.338 5.24 4 163.6 240.8
156 3 3 -2 31.339 62.679 0.338 5.24 4 14.3 1.8
157 3 3 2 31.339 62.679 0.338 5.24 4 21.1 4.0
158 1 4 0 31.477 62.954 0.339 5.19 4 197.9 348.7
159 3 0 -6 31.602 63.205 0.34 5.14 2 6.0 0.2
160 3 0 6 31.602 63.205 0.34 5.14 2 26.0 3.0
161 1 3 -5 31.715 63.43 0.341 5.1 4 14.0 1.7
162 1 3 5 31.715 63.43 0.341 5.1 4 28.9 7.3
163 1 4 -1 31.78 63.559 0.342 5.08 4 9.4 0.8
164 1 4 1 31.78 63.559 0.342 5.08 4 20.0 3.5
165 4 1 -4 31.829 63.658 0.342 5.06 4 11.4 1.1
166 4 1 4 31.829 63.658 0.342 5.06 4 23.8 4.9
167 0 4 2 31.939 63.878 0.343 5.03 4 3.5 0.1
168 2 2 -6 32.051 64.101 0.344 4.99 4 155.7 207.7
169 2 2 6 32.051 64.101 0.344 4.99 4 165.0 233.0
170 3 2 -5 32.455 64.91 0.348 4.86 4 23.4 4.6
171 3 2 5 32.455 64.91 0.348 4.86 4 8.6 0.6
172 3 1 -6 32.64 65.281 0.35 4.8 4 11.9 1.2
173 3 1 6 32.64 65.281 0.35 4.8 4 14.8 1.8
174 5 0 0 32.659 65.318 0.35 4.79 2 124.3 63.5
175 1 4 -2 32.678 65.356 0.35 4.78 4 3.7 0.1
176 1 4 2 32.678 65.356 0.35 4.78 4 10.9 1.0
177 2 1 -7 32.833 65.666 0.352 4.74 4 19.2 3.0
178 2 1 7 32.833 65.666 0.352 4.74 4 27.7 6.3
179 4 2 -3 32.839 65.678 0.352 4.73 4 20.9 3.5
180 4 2 3 32.839 65.678 0.352 4.73 4 27.3 6.1
181 3 3 -3 32.84 65.681 0.352 4.73 4 17.2 2.4
182 3 3 3 32.84 65.681 0.352 4.73 4 22.3 4.1
183 0 2 7 32.98 65.961 0.353 4.69 4 9.3 0.7
184 0 0 8 33.324 66.647 0.357 4.59 2 115.3 52.3
185 0 4 3 33.426 66.851 0.358 4.56 4 21.8 3.7
186 5 1 0 33.68 67.359 0.36 4.49 4 13.9 1.5
187 2 4 0 33.684 67.368 0.36 4.49 4 134.2 138.6
188 1 2 -7 33.707 67.414 0.36 4.48 4 9.4 0.7
189 1 2 7 33.707 67.414 0.36 4.48 4 11.1 1.0
190 5 0 -2 33.838 67.675 0.361 4.44 2 36.7 5.1
191 5 0 2 33.838 67.675 0.361 4.44 2 42.2 6.8
192 2 3 -5 33.913 67.827 0.362 4.42 4 22.1 3.7
193 2 3 5 33.913 67.827 0.362 4.42 4 23.1 4.0
194 5 1 -1 33.972 67.943 0.363 4.41 4 31.5 7.5
195 5 1 1 33.972 67.943 0.363 4.41 4 41.1 12.8
196 2 4 -1 33.976 67.952 0.363 4.41 4 12.0 1.1
197 2 4 1 33.976 67.952 0.363 4.41 4 11.8 1.1
198 1 0 -8 34.047 68.093 0.363 4.39 2 129.3 62.9
199 1 0 8 34.047 68.093 0.363 4.39 2 198.4 148.1
200 1 4 -3 34.148 68.295 0.364 4.36 4 43.4 14.1
201 1 4 3 34.148 68.295 0.364 4.36 4 34.5 8.9
202 0 3 6 34.239 68.479 0.365 4.34 4 21.5 3.4
203 0 1 8 34.334 68.668 0.366 4.31 4 8.5 0.5
204 4 1 -5 34.485 68.971 0.368 4.27 4 14.7 1.6
205 4 1 5 34.485 68.971 0.368 4.27 4 25.9 4.9
206 5 1 -2 34.841 69.682 0.371 4.18 4 14.6 1.5
207 5 1 2 34.841 69.682 0.371 4.18 4 9.1 0.6
208 2 4 -2 34.845 69.691 0.371 4.18 4 27.5 5.4
209 2 4 2 34.845 69.691 0.371 4.18 4 9.3 0.6
210 4 2 -4 34.883 69.766 0.371 4.17 4 50.3 18.1
211 4 2 4 34.883 69.766 0.371 4.17 4 8.1 0.5
212 3 3 -4 34.885 69.769 0.371 4.17 4 20.4 3.0
213 3 3 4 34.885 69.769 0.371 4.17 4 18.1 2.3
214 1 3 -6 34.953 69.907 0.372 4.16 4 15.9 1.8
215 1 3 6 34.953 69.907 0.372 4.16 4 19.5 2.7
216 1 1 -8 35.047 70.094 0.373 4.13 4 15.6 1.7
217 1 1 8 35.047 70.094 0.373 4.13 4 11.9 1.0
218 4 3 0 35.255 70.511 0.375 4.08 4 14.5 1.5
219 0 4 4 35.454 70.907 0.377 4.04 4 131.6 120.1
220 4 3 -1 35.542 71.083 0.377 4.02 4 25.7 4.5
221 4 3 1 35.542 71.083 0.377 4.02 4 22.2 3.4
222 3 2 -6 35.659 71.319 0.378 3.99 4 113.1 87.6
223 3 2 6 35.659 71.319 0.378 3.99 4 128.0 112.3
224 2 2 -7 35.844 71.689 0.38 3.95 4 14.8 1.5
225 2 2 7 35.844 71.689 0.38 3.95 4 9.5 0.6
226 1 4 -4 36.157 72.314 0.383 3.89 4 165.2 182.1
227 1 4 4 36.157 72.314 0.383 3.89 4 104.5 72.8
228 2 0 -8 36.175 72.35 0.383 3.88 2 125.6 52.5
229 2 0 8 36.175 72.35 0.383 3.88 2 141.2 66.4
230 5 1 -3 36.269 72.538 0.384 3.86 4 9.9 0.7
231 5 1 3 36.269 72.538 0.384 3.86 4 18.0 2.1
232 2 4 -3 36.273 72.546 0.384 3.86 4 12.3 1.0
233 2 4 3 36.273 72.546 0.384 3.86 4 21.2 3.0
234 4 3 -2 36.394 72.788 0.385 3.84 4 22.1 3.2
235 4 3 2 36.394 72.788 0.385 3.84 4 14.2 1.3
236 3 1 -7 36.404 72.808 0.385 3.84 4 14.3 1.3
237 3 1 7 36.404 72.808 0.385 3.84 4 26.7 4.7
238 4 0 -6 36.639 73.278 0.387 3.79 2 33.8 3.7
239 4 0 6 36.639 73.278 0.387 3.79 2 38.7 4.9
240 5 2 0 36.658 73.317 0.388 3.79 4 47.7 14.8
241 5 2 -1 36.94 73.88 0.39 3.73 4 20.2 2.6
242 5 2 1 36.94 73.88 0.39 3.73 4 19.7 2.5
243 2 3 -6 37.059 74.118 0.391 3.71 4 23.9 3.6
244 2 3 6 37.059 74.118 0.391 3.71 4 18.1 2.1
245 2 1 -8 37.151 74.301 0.392 3.69 4 12.2 0.9
246 2 1 8 37.151 74.301 0.392 3.69 4 7.1 0.3
247 3 4 0 37.218 74.435 0.393 3.68 4 123.8 96.8
248 5 0 -4 37.267 74.533 0.393 3.67 2 135.4 57.7
249 5 0 4 37.267 74.533 0.393 3.67 2 162.6 83.3
250 0 2 8 37.29 74.58 0.393 3.67 4 10.7 0.7
251 4 2 -5 37.436 74.872 0.395 3.64 4 17.4 1.9
252 4 2 5 37.436 74.872 0.395 3.64 4 11.2 0.8
253 3 3 -5 37.438 74.875 0.395 3.64 4 20.9 2.7
254 3 3 5 37.438 74.875 0.395 3.64 4 8.3 0.4
255 3 4 -1 37.498 74.995 0.395 3.63 4 5.9 0.2
256 3 4 1 37.498 74.995 0.395 3.63 4 21.2 2.8
257 4 1 -6 37.61 75.221 0.396 3.61 4 11.8 0.9
258 4 1 6 37.61 75.221 0.396 3.61 4 11.4 0.8
259 5 2 -2 37.78 75.561 0.398 3.58 4 156.7 150.9
260 5 2 2 37.78 75.561 0.398 3.58 4 153.2 144.3
261 4 3 -3 37.798 75.597 0.398 3.58 4 25.8 4.1
262 4 3 3 37.798 75.597 0.398 3.58 4 23.7 3.4
263 0 3 7 37.932 75.863 0.399 3.56 4 14.0 1.2
264 1 2 -8 37.98 75.96 0.399 3.55 4 7.3 0.3
265 1 2 8 37.98 75.96 0.399 3.55 4 13.9 1.2
266 0 4 5 37.991 75.982 0.4 3.55 4 30.5 5.7
267 5 1 -4 38.232 76.464 0.402 3.51 4 29.7 5.3
268 5 1 4 38.232 76.464 0.402 3.51 4 11.5 0.8
269 2 4 -4 38.236 76.472 0.402 3.51 4 185.4 206.7
270 2 4 4 38.236 76.472 0.402 3.51 4 120.5 87.3
271 3 4 -2 38.334 76.667 0.403 3.49 4 27.5 4.5
272 3 4 2 38.334 76.667 0.403 3.49 4 23.9 3.4
273 1 3 -7 38.618 77.236 0.405 3.45 4 19.0 2.1
274 1 3 7 38.618 77.236 0.405 3.45 4 18.5 2.0
275 1 4 -5 38.677 77.354 0.406 3.44 4 31.3 5.8
276 1 4 5 38.677 77.354 0.406 3.44 4 23.6 3.3
277 0 1 9 39.131 78.262 0.41 3.37 4 28.6 4.7
278 5 2 -3 39.167 78.334 0.41 3.37 4 11.5 0.8
279 5 2 3 39.167 78.334 0.41 3.37 4 24.1 3.3
280 3 2 -7 39.299 78.598 0.411 3.35 4 13.1 1.0
281 3 2 7 39.299 78.598 0.411 3.35 4 18.4 1.9
282 3 0 -8 39.619 79.238 0.414 3.3 2 149.3 63.2
283 3 0 8 39.619 79.238 0.414 3.3 2 191.2 103.6
284 0 5 0 39.688 79.375 0.415 3.29 2 25.7 1.9
285 3 4 -3 39.715 79.429 0.415 3.29 4 32.6 6.0
286 3 4 3 39.715 79.429 0.415 3.29 4 23.3 3.1
287 4 3 -4 39.736 79.471 0.415 3.29 4 24.7 3.4
288 4 3 4 39.736 79.471 0.415 3.29 4 25.3 3.6
289 1 1 -9 39.811 79.622 0.416 3.28 4 1.4 0.0
290 1 1 9 39.811 79.622 0.416 3.28 4 35.7 7.2
291 0 5 1 39.962 79.924 0.417 3.26 4 12.3 0.8
292 2 2 -8 40.027 80.055 0.417 3.25 4 37.5 7.9
293 2 2 8 40.027 80.055 0.417 3.25 4 27.3 4.2
294 6 0 0 40.358 80.717 0.42 3.21 2 127.5 44.8
295 1 5 0 40.365 80.73 0.42 3.21 4 20.1 2.2
296 4 2 -6 40.477 80.954 0.421 3.2 4 128.5 90.6
297 4 2 6 40.477 80.954 0.421 3.2 4 117.8 76.1
298 3 3 -6 40.478 80.957 0.421 3.2 4 12.2 0.8
299 3 3 6 40.478 80.957 0.421 3.2 4 10.9 0.7
300 3 1 -8 40.568 81.136 0.422 3.19 4 18.5 1.9
301 3 1 8 40.568 81.136 0.422 3.19 4 9.1 0.5
302 1 5 -1 40.639 81.277 0.423 3.18 4 11.9 0.8
303 1 5 1 40.639 81.277 0.423 3.18 4 12.9 0.9
304 2 3 -7 40.656 81.312 0.423 3.18 4 8.0 0.4
305 2 3 7 40.656 81.312 0.423 3.18 4 27.8 4.2
306 5 1 -5 40.711 81.421 0.423 3.17 4 23.8 3.1
307 5 1 5 40.711 81.421 0.423 3.17 4 22.9 2.9
308 2 4 -5 40.715 81.429 0.423 3.17 4 13.0 0.9
309 2 4 5 40.715 81.429 0.423 3.17 4 30.9 5.2
310 0 5 2 40.783 81.567 0.424 3.16 4 19.9 2.1
311 0 4 6 41.02 82.04 0.426 3.14 4 16.2 1.4
312 5 2 -4 41.087 82.173 0.427 3.13 4 32.9 5.8
313 5 2 4 41.087 82.173 0.427 3.13 4 35.8 6.9
314 4 1 -7 41.193 82.386 0.428 3.12 4 12.9 0.9
315 4 1 7 41.193 82.386 0.428 3.12 4 9.5 0.5
316 6 1 0 41.303 82.606 0.428 3.11 4 19.6 2.1
317 5 3 0 41.44 82.879 0.43 3.09 4 24.9 3.3
318 6 0 -2 41.45 82.901 0.43 3.09 2 32.2 2.7
319 6 0 2 41.45 82.901 0.43 3.09 2 33.0 2.9
320 1 5 -2 41.457 82.914 0.43 3.09 4 14.1 1.1
321 1 5 2 41.457 82.914 0.43 3.09 4 13.7 1.0
322 6 1 -1 41.575 83.151 0.431 3.08 4 22.2 2.6
323 6 1 1 41.575 83.151 0.431 3.08 4 16.6 1.5
324 3 4 -4 41.628 83.256 0.431 3.07 4 154.9 126.6
325 3 4 4 41.628 83.256 0.431 3.07 4 131.0 90.5
326 1 4 -6 41.693 83.386 0.432 3.07 4 10.8 0.6
327 1 4 6 41.693 83.386 0.432 3.07 4 5.4 0.2
328 5 3 -1 41.712 83.424 0.432 3.07 4 21.0 2.3
329 5 3 1 41.712 83.424 0.432 3.07 4 20.7 2.3
330 2 1 -9 41.835 83.67 0.433 3.05 4 23.8 3.0
331 2 1 9 41.835 83.67 0.433 3.05 4 10.0 0.5
332 0 2 9 41.97 83.94 0.434 3.04 4 14.4 1.1
333 4 4 0 41.979 83.958 0.434 3.04 4 109.6 62.7
334 0 3 8 42.051 84.101 0.435 3.03 4 16.4 1.4
335 0 5 3 42.145 84.29 0.436 3.03 4 14.7 1.1
336 4 3 -5 42.192 84.385 0.436 3.02 4 12.8 0.9
337 4 3 5 42.192 84.385 0.436 3.02 4 25.3 3.3
338 4 4 -1 42.251 84.501 0.436 3.02 4 7.4 0.3
339 4 4 1 42.251 84.501 0.436 3.02 4 12.3 0.8
340 2 5 0 42.384 84.768 0.438 3.0 4 21.0 2.3
341 6 1 -2 42.39 84.781 0.438 3.0 4 17.9 1.7
342 6 1 2 42.39 84.781 0.438 3.0 4 17.6 1.6
343 5 3 -2 42.527 85.053 0.439 2.99 4 12.9 0.9
344 5 3 2 42.527 85.053 0.439 2.99 4 27.2 3.8
345 1 2 -9 42.641 85.281 0.44 2.98 4 24.2 3.0
346 1 2 9 42.641 85.281 0.44 2.98 4 20.8 2.2
347 2 5 -1 42.655 85.31 0.44 2.98 4 22.7 2.6
348 2 5 1 42.655 85.31 0.44 2.98 4 14.8 1.1
349 1 3 -8 42.721 85.442 0.44 2.98 4 7.0 0.2
350 1 3 8 42.721 85.442 0.44 2.98 4 9.4 0.4
351 5 0 -6 42.762 85.523 0.441 2.97 2 58.1 8.6
352 5 0 6 42.762 85.523 0.441 2.97 2 29.0 2.2
353 1 5 -3 42.815 85.63 0.441 2.97 4 12.8 0.8
354 1 5 3 42.815 85.63 0.441 2.97 4 20.5 2.1
355 4 4 -2 43.064 86.128 0.443 2.95 4 15.1 1.1
356 4 4 2 43.064 86.128 0.443 2.95 4 18.2 1.7
357 0 0 10 43.37 86.74 0.446 2.93 2 23.0 1.3
358 3 2 -8 43.388 86.777 0.446 2.93 4 25.2 3.2
359 3 2 8 43.388 86.777 0.446 2.93 4 26.8 3.6
360 2 5 -2 43.468 86.935 0.447 2.92 4 13.0 0.8
361 2 5 2 43.468 86.935 0.447 2.92 4 8.5 0.4
362 5 2 -5 43.53 87.06 0.447 2.92 4 23.9 2.9
363 5 2 5 43.53 87.06 0.447 2.92 4 14.6 1.1
364 5 1 -6 43.698 87.396 0.448 2.9 4 11.1 0.6
365 5 1 6 43.698 87.396 0.448 2.9 4 17.5 1.5
366 2 4 -6 43.702 87.404 0.448 2.9 4 29.5 4.3
367 2 4 6 43.702 87.404 0.448 2.9 4 12.2 0.7
368 6 1 -3 43.745 87.489 0.449 2.9 4 29.7 4.4
369 6 1 3 43.745 87.489 0.449 2.9 4 19.6 1.9
370 5 3 -3 43.88 87.761 0.45 2.89 4 17.4 1.5
371 5 3 3 43.88 87.761 0.45 2.89 4 20.0 2.0
372 4 2 -7 44.008 88.016 0.451 2.88 4 16.9 1.4
373 4 2 7 44.008 88.016 0.451 2.88 4 14.9 1.1
374 3 3 -7 44.009 88.019 0.451 2.88 4 19.7 1.9
375 3 3 7 44.009 88.019 0.451 2.88 4 10.3 0.5
376 1 0 -10 44.038 88.076 0.451 2.88 2 44.3 4.9
377 1 0 10 44.038 88.076 0.451 2.88 2 47.2 5.5
378 0 5 4 44.041 88.082 0.451 2.88 4 25.2 3.1
379 3 4 -5 44.067 88.135 0.451 2.88 4 27.0 3.6
380 3 4 5 44.067 88.135 0.451 2.88 4 13.4 0.9
381 6 2 0 44.117 88.234 0.452 2.88 4 16.8 1.4
382 0 1 10 44.305 88.611 0.453 2.87 4 8.6 0.4
383 4 0 -8 44.323 88.645 0.454 2.86 2 150.5 55.6
384 4 0 8 44.323 88.645 0.454 2.86 2 128.8 40.8
385 6 2 -1 44.387 88.775 0.454 2.86 4 26.7 3.5
386 6 2 1 44.387 88.775 0.454 2.86 4 10.0 0.5
387 4 4 -3 44.416 88.833 0.454 2.86 4 19.5 1.9
388 4 4 3 44.416 88.833 0.454 2.86 4 20.5 2.1
389 0 4 7 44.545 89.091 0.455 2.85 4 25.5 3.2
390 2 2 -9 44.645 89.291 0.456 2.85 4 12.5 0.8
391 2 2 9 44.645 89.291 0.456 2.85 4 19.0 1.8
392 6 0 -4 44.702 89.403 0.457 2.84 2 130.4 41.5
393 6 0 4 44.702 89.403 0.457 2.84 2 167.9 68.8
394 1 5 -4 44.708 89.417 0.457 2.84 4 19.2 1.8
395 1 5 4 44.708 89.417 0.457 2.84 4 27.2 3.6
396 2 3 -8 44.725 89.451 0.457 2.84 4 15.1 1.1
397 2 3 8 44.725 89.451 0.457 2.84 4 10.0 0.5
398 2 5 -3 44.819 89.639 0.458 2.84 4 17.9 1.6
399 2 5 3 44.819 89.639 0.458 2.84 4 18.3 1.6
400 1 1 -10 44.973 89.946 0.459 2.83 4 14.3 1.0
401 1 1 10 44.973 89.946 0.459 2.83 4 15.4 1.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 0 6.196 12.392 7.137 5232.4 100.0 100.0 5.6
2 0 0 2 7.894 15.788 5.6085 157.0 3.0 3.0 5.6
3 0 1 1 8.338 16.676 5.31188 386.6 7.4 7.4 5.6
4 1 0 -2 10.06 20.119 4.40981 143.0 2.7 2.7 5.6
5 1 1 -1 10.414 20.829 4.26119 266.2 5.1 5.1 5.6
6 2 0 0 12.466 24.931 3.5685 1968.0 37.6 37.3 5.6
7 0 1 3 14.028 28.055 3.17784 58.7 1.1 1.1 5.6
8 2 0 2 14.824 29.647 3.01074 99.8 1.9 1.9 5.6
9 2 1 1 15.073 30.145 2.96214 205.4 3.9 3.9 5.6
10 1 1 3 15.387 30.774 2.90306 156.2 3.0 2.9 5.6
11 0 0 4 15.943 31.886 2.80425 416.0 8.0 7.8 5.6
12 1 2 -1 16.6 33.199 2.69629 74.3 1.4 1.4 5.6
13 0 2 2 16.859 33.718 2.65594 628.3 12.0 11.8 5.7
14 1 0 -4 17.165 34.33 2.61001 1193.1 22.8 22.4 5.7
15 1 2 2 18.026 36.052 2.48917 2035.7 38.9 38.2 5.7
16 3 0 0 18.892 37.784 2.379 138.7 2.7 2.6 5.7
17 2 2 0 19.538 39.076 2.30326 54.2 1.0 1.0 5.7
18 2 0 -4 20.447 40.895 2.2049 910.9 17.4 17.0 5.7
19 2 2 2 21.194 42.389 2.1306 1498.4 28.6 28.0 5.7
20 1 2 -4 22.974 45.949 1.97346 53.0 1.0 1.0 5.7
21 3 0 -4 25.125 50.251 1.81413 502.9 9.6 9.3 5.8
22 4 0 0 25.576 51.152 1.78425 180.8 3.5 3.3 5.8
23 3 2 2 25.765 51.53 1.77206 1091.1 20.9 20.1 5.8
24 0 2 6 28.998 57.996 1.58892 601.2 11.5 11.0 5.8
25 1 2 6 29.779 59.557 1.55095 600.6 11.5 11.0 5.8
26 0 4 0 30.722 61.445 1.50775 204.5 3.9 3.7 5.8
27 4 0 4 30.776 61.553 1.50537 273.2 5.2 5.0 5.8
28 4 2 -2 31.338 62.676 1.48107 559.9 10.7 10.2 5.8
29 1 4 0 31.477 62.954 1.47519 348.7 6.7 6.3 5.9
30 2 2 6 32.051 64.101 1.45153 440.7 8.4 8.0 5.9
31 5 0 0 32.659 65.318 1.4274 66.5 1.3 1.2 5.9
32 2 4 0 33.684 67.368 1.38887 141.8 2.7 2.6 5.9
33 1 0 8 34.047 68.093 1.37583 211.0 4.0 3.8 5.9
34 0 4 4 35.454 70.907 1.32797 120.1 2.3 2.2 5.9
35 3 2 6 35.659 71.319 1.32131 199.9 3.8 3.6 5.9
36 1 4 -4 36.157 72.314 1.30556 373.8 7.1 6.7 5.9
37 3 4 0 37.218 74.435 1.27352 96.8 1.8 1.7 6.0
38 5 0 4 37.267 74.533 1.27209 141.7 2.7 2.5 6.0
39 5 2 -2 37.78 75.561 1.25732 302.7 5.8 5.4 6.0
40 2 4 4 38.236 76.472 1.24459 300.1 5.7 5.3 6.0
41 3 0 8 39.619 79.238 1.20794 166.8 3.2 2.9 6.0
42 4 2 -6 40.477 80.954 1.18661 168.2 3.2 3.0 6.1
43 3 4 -4 41.628 83.256 1.15955 217.0 4.1 3.8 6.1
44 4 4 0 41.979 83.958 1.15163 63.8 1.2 1.1 6.1
45 4 0 -8 44.323 88.645 1.10245 96.4 1.8 1.7 6.2
46 6 0 4 44.702 89.403 1.09506 117.3 2.2 2.0 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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