Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
CHLOROPHOENICITE
1, f-chlorphoenicite, DN
[Mn(2.6)Ca(0.3)Mg(0.15)]Zn(1.95)(OH)(6)[As(0.5)H(0.5)](2)(O,OH)(6)
Monoclinic C 2/m Z = 2
R =0.122 NR =330
27 .2 .1989
Ref.Str.:
Moore P.B. (1968)
* Amer. Mineral., 53, 1110-1119
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 22.98 alpha = 90.0
b = 3.32 beta = 106.0
c = 7.32 gamma = 90.0
Unit cell volume (cub. angs.) = 536.83
Molar volume ( cub.cm/mol.) = 161.68
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.89 Mn = 1.00
2 0.0888 0.5 0.3656 1.25 Mn = 1.00
3 0.2076 0.0 0.2207 0.96 Zn = 1.00
4 0.3823 0.0 0.1047 0.51 As = 0.5 , As = 0.0
5 0.0222 0.0 0.3002 1.18 O = 1.00
6 0.0657 0.5 0.043 1.33 O = 1.00
7 0.1561 0.0 0.3914 0.93 O = 1.00
8 0.2548 0.5 0.2587 1.31 O = 1.00
9 0.4059 0.0 0.3246 3.58 O = 1.00
10 0.3394 0.5 0.0471 1.41 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0888 0.5 0.3656
3 3 0.2076 0.0 0.2207
4 4 0.3823 0.0 0.1047
5 5 0.0222 0.0 0.3002
6 6 0.0657 0.5 0.043
7 7 0.1561 0.0 0.3914
8 8 0.2548 0.5 0.2587
9 9 0.4059 0.0 0.3246
10 10 0.3394 0.5 0.0471
11 2 0.9112 0.5 0.6344
12 3 0.7924 0.0 0.7793
13 4 0.6177 0.0 0.8953
14 5 0.9778 0.0 0.6998
15 6 0.9343 0.5 0.957
16 7 0.8439 0.0 0.6086
17 8 0.7452 0.5 0.7413
18 9 0.5941 0.0 0.6754
19 10 0.6606 0.5 0.9529
20 1 0.5 0.5 0.0
21 2 0.5888 0.0 0.3656
22 3 0.7076 0.5 0.2207
23 4 0.8823 0.5 0.1047
24 5 0.5222 0.5 0.3002
25 6 0.5657 0.0 0.043
26 7 0.6561 0.5 0.3914
27 8 0.7548 0.0 0.2587
28 9 0.9059 0.5 0.3246
29 10 0.8394 0.0 0.0471
30 2 0.4112 0.0 0.6344
31 3 0.2924 0.5 0.7793
32 4 0.1177 0.5 0.8953
33 5 0.4778 0.5 0.6998
34 6 0.4343 0.0 0.957
35 7 0.3439 0.5 0.6086
36 8 0.2452 0.0 0.7413
37 9 0.0941 0.5 0.6754
38 10 0.1606 0.0 0.9529
X-ray density (g/cm cub.) = 3.48
MU (1/cm) = 391.554 Mass attenuation coefficient (cm**2/g) = 112.56
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
2.1145 5
2.2073 6
2.2073 6
2.1145 5
2.2073 6
2.2073 6
2 Mn 2.724 6
2.2188 5
2.2188 5
2.2731 6
2.241 7
2.241 7
2.2372 9
3 Zn 2.628 4
1.9435 7
1.9604 8
1.9604 8
1.9601 10
4 As ,As 2.46 4
1.5505 9
1.9173 10
1.9173 10
1.8191 6
5 O 3.264 9
2.8874 6
2.8874 6
2.9633 7
3.2171 6
3.2171 6
3.1927 9
3.1927 9
3.2445 9
3.2445 9
6 O 3.264 8
2.8874 5
2.8874 5
3.2171 5
3.2171 5
2.9097 6
2.9385 9
2.9562 10
2.9562 10
7 O 3.264 5
2.9633 5
3.1715 8
3.1715 8
2.8038 8
3.2398 10
8 O 3.264 6
3.1715 7
3.1715 7
2.7998 10
2.8038 7
3.1275 10
3.1275 10
9 O 3.264 7
2.7397 10
2.7397 10
3.1927 5
3.1927 5
3.2445 5
3.2445 5
2.9385 6
10 O 3.264 8
2.7998 8
2.7397 9
2.7397 9
2.9562 6
2.9562 6
3.2398 7
3.1275 8
3.1275 8
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 2 0 0 3.999 7.998 0.045 408.22 2 5.8 9.5
2 0 0 1 6.285 12.57 0.071 163.93 2 63.2 455.1
3 2 0 -1 6.455 12.91 0.073 155.28 2 85.9 794.6
4 4 0 0 8.018 16.036 0.091 99.85 2 25.4 44.7
5 2 0 1 8.344 16.687 0.094 92.04 2 63.4 256.5
6 4 0 -1 8.727 17.454 0.098 83.94 2 3.6 0.7
7 4 0 1 11.516 23.032 0.13 47.29 2 78.2 200.8
8 6 0 -1 11.987 23.973 0.135 43.49 2 213.9 1381.1
9 6 0 0 12.077 24.154 0.136 42.81 2 53.0 83.6
10 2 0 -2 12.162 24.323 0.137 42.19 2 0.5 0.0
11 0 0 2 12.647 25.294 0.142 38.86 2 58.5 92.2
12 4 0 -2 12.994 25.987 0.146 36.7 2 117.6 352.1
13 1 1 0 13.569 27.138 0.152 33.49 4 31.2 45.1
14 2 0 2 14.325 28.65 0.161 29.84 2 229.9 1094.6
15 3 1 0 14.744 29.489 0.165 28.06 4 20.1 15.7
16 1 1 -1 14.762 29.524 0.165 27.99 4 111.2 480.6
17 6 0 -2 14.939 29.878 0.167 27.28 2 171.7 558.5
18 6 0 1 15.159 30.319 0.17 26.44 2 61.3 69.0
19 1 1 1 15.244 30.488 0.171 26.13 4 37.7 51.7
20 3 1 -1 15.391 30.783 0.172 25.59 4 20.2 14.4
21 8 0 -1 15.672 31.344 0.175 24.62 2 19.3 6.3
22 8 0 0 16.198 32.397 0.181 22.92 2 24.0 9.2
23 3 1 1 16.751 33.503 0.187 21.31 4 69.9 144.7
24 4 0 2 16.871 33.742 0.188 20.99 2 3.7 0.2
25 5 1 0 16.871 33.742 0.188 20.99 4 297.4 2575.9
26 5 1 -1 17.021 34.043 0.19 20.58 4 8.2 1.9
27 8 0 -2 17.665 35.331 0.197 18.98 2 37.4 18.4
28 1 1 -2 18.317 36.635 0.204 17.53 4 57.7 81.0
29 3 1 -2 18.443 36.886 0.205 17.27 4 102.6 252.5
30 2 0 -3 18.444 36.887 0.205 17.27 2 86.8 90.3
31 4 0 -3 18.63 37.261 0.207 16.89 2 80.2 75.3
32 8 0 1 19.06 38.12 0.212 16.06 2 109.7 134.0
33 5 1 1 19.069 38.137 0.212 16.05 4 69.4 107.3
34 1 1 2 19.111 38.222 0.213 15.97 4 59.4 78.1
35 0 0 3 19.172 38.345 0.213 15.85 2 102.3 115.2
36 7 1 -1 19.43 38.861 0.216 15.39 4 38.5 31.6
37 5 1 -2 19.472 38.944 0.216 15.32 4 32.1 21.9
38 10 0 -1 19.601 39.201 0.218 15.1 2 4.1 0.2
39 7 1 0 19.68 39.36 0.219 14.96 4 48.9 49.8
40 6 0 -3 19.71 39.421 0.219 14.91 2 52.5 28.5
41 6 0 2 19.999 39.997 0.222 14.44 2 29.3 8.6
42 10 0 0 20.408 40.816 0.226 13.8 2 135.0 174.5
43 3 1 2 20.734 41.467 0.23 13.32 4 9.1 1.5
44 2 0 3 20.735 41.469 0.23 13.32 2 142.5 187.7
45 10 0 -2 20.915 41.831 0.232 13.06 2 49.3 22.1
46 7 1 -2 21.294 42.589 0.236 12.55 4 18.3 5.8
47 8 0 -3 21.571 43.142 0.239 12.19 2 41.7 14.7
48 7 1 1 21.983 43.966 0.243 11.68 4 70.5 80.5
49 9 1 -1 22.412 44.825 0.247 11.18 4 26.1 10.6
50 9 1 0 22.972 45.944 0.253 10.58 4 8.6 1.1
51 4 0 3 22.991 45.983 0.254 10.56 2 96.1 67.7
52 5 1 2 23.043 46.085 0.254 10.51 4 62.5 56.9
53 3 1 -3 23.081 46.162 0.254 10.47 4 58.2 49.1
54 10 0 1 23.155 46.31 0.255 10.39 2 20.9 3.1
55 1 1 -3 23.31 46.62 0.257 10.23 4 51.0 37.0
56 8 0 2 23.533 47.066 0.259 10.02 2 40.1 11.2
57 5 1 -3 23.618 47.237 0.26 9.93 4 7.1 0.7
58 12 0 -1 23.721 47.441 0.261 9.84 2 34.9 8.3
59 9 1 -2 23.763 47.527 0.262 9.8 4 101.9 141.1
60 10 0 -3 24.068 48.136 0.265 9.52 2 85.9 48.7
61 1 1 3 24.29 48.58 0.267 9.32 4 35.0 15.9
62 12 0 -2 24.542 49.084 0.27 9.11 2 44.3 12.4
63 12 0 0 24.736 49.473 0.272 8.94 2 26.1 4.2
64 7 1 -3 24.885 49.77 0.273 8.82 4 92.8 105.4
65 4 0 -4 24.919 49.838 0.273 8.79 2 240.2 352.1
66 2 0 -4 25.087 50.174 0.275 8.66 2 101.4 61.7
67 9 1 1 25.345 50.69 0.278 8.46 4 36.4 15.6
68 6 0 -4 25.476 50.951 0.279 8.36 2 72.7 30.7
69 6 0 3 25.806 51.612 0.283 8.12 2 20.9 2.5
70 11 1 -1 25.827 51.654 0.283 8.11 4 219.3 541.3
71 7 1 2 25.901 51.802 0.284 8.05 4 188.0 395.0
72 3 1 3 25.956 51.912 0.284 8.02 4 33.6 12.5
73 0 0 4 25.969 51.937 0.284 8.01 2 5.2 0.1
74 11 1 0 26.634 53.267 0.291 7.56 4 45.7 21.9
75 8 0 -4 26.724 53.447 0.292 7.5 2 27.0 3.8
76 11 1 -2 26.751 53.501 0.292 7.48 4 141.4 207.6
77 9 1 -3 26.805 53.609 0.293 7.45 4 102.9 109.5
78 12 0 -3 27.077 54.154 0.295 7.28 2 108.0 59.0
79 10 0 2 27.388 54.777 0.299 7.09 2 47.9 11.3
80 12 0 1 27.438 54.877 0.299 7.06 2 52.0 13.3
81 2 0 4 27.516 55.032 0.3 7.02 2 0.9 0.0
82 0 2 0 27.647 55.294 0.301 6.94 2 280.0 377.7
83 2 2 0 27.985 55.969 0.305 6.75 4 2.3 0.1
84 14 0 -1 28.031 56.061 0.305 6.73 2 52.5 12.9
85 5 1 3 28.224 56.447 0.307 6.62 4 97.7 87.8
86 0 2 1 28.474 56.948 0.309 6.49 4 42.3 16.2
87 14 0 -2 28.477 56.953 0.309 6.49 2 58.6 15.5
88 2 2 -1 28.519 57.038 0.31 6.47 4 52.9 25.1
89 10 0 -4 28.601 57.202 0.311 6.43 2 24.3 2.6
90 3 1 -4 28.744 57.488 0.312 6.36 4 12.4 1.4
91 5 1 -4 28.922 57.843 0.314 6.27 4 8.6 0.6
92 4 2 0 28.982 57.964 0.315 6.24 4 14.2 1.7
93 11 1 1 29.071 58.142 0.315 6.2 4 42.9 15.8
94 8 0 3 29.077 58.154 0.315 6.19 2 4.6 0.1
95 2 2 1 29.09 58.18 0.316 6.19 4 39.2 13.2
96 9 1 2 29.209 58.417 0.317 6.13 4 29.2 7.2
97 14 0 0 29.221 58.443 0.317 6.12 2 56.8 13.7
98 4 2 -1 29.222 58.445 0.317 6.12 4 8.6 0.6
99 1 1 -4 29.224 58.449 0.317 6.12 4 53.8 24.6
100 11 1 -3 29.291 58.583 0.318 6.09 4 51.5 22.4
101 13 1 -1 29.598 59.196 0.321 5.95 4 19.4 3.1
102 4 0 4 29.659 59.318 0.321 5.92 2 69.5 19.9
103 7 1 -4 29.75 59.5 0.322 5.88 4 75.9 47.0
104 13 1 -2 30.168 60.336 0.326 5.7 4 59.4 27.9
105 4 2 1 30.341 60.682 0.328 5.63 4 48.6 18.5
106 1 1 4 30.343 60.686 0.328 5.63 4 154.2 185.8
107 14 0 -3 30.513 61.026 0.33 5.56 2 93.9 34.0
108 6 2 -1 30.556 61.112 0.33 5.54 4 135.3 140.8
109 6 2 0 30.598 61.196 0.33 5.52 4 30.5 7.1
110 13 1 0 30.613 61.226 0.331 5.52 4 32.3 8.0
111 2 2 -2 30.638 61.275 0.331 5.51 4 0.1 0.0
112 0 2 2 30.869 61.739 0.333 5.42 4 35.4 9.4
113 7 1 3 31.012 62.025 0.334 5.36 4 173.2 223.4
114 12 0 -4 31.036 62.073 0.335 5.35 2 33.9 4.3
115 4 2 -2 31.04 62.079 0.335 5.35 4 79.6 47.1
116 9 1 -4 31.197 62.394 0.336 5.29 4 171.4 215.9
117 12 0 2 31.534 63.068 0.339 5.17 2 104.6 39.3
118 2 2 2 31.727 63.453 0.341 5.1 4 154.3 168.5
119 4 0 -5 31.754 63.508 0.342 5.09 2 17.9 1.1
120 14 0 1 31.933 63.867 0.343 5.03 2 4.4 0.1
121 6 0 -5 31.963 63.926 0.344 5.02 2 74.4 19.3
122 3 1 4 32.061 64.121 0.345 4.99 4 63.1 27.6
123 6 2 -2 32.061 64.122 0.345 4.99 4 111.2 85.6
124 2 0 -5 32.165 64.331 0.346 4.95 2 39.2 5.3
125 6 2 1 32.184 64.368 0.346 4.94 4 42.9 12.7
126 13 1 -3 32.273 64.546 0.347 4.91 4 30.5 6.3
127 6 0 4 32.331 64.662 0.347 4.9 2 67.0 15.3
128 8 2 -1 32.475 64.949 0.349 4.85 4 14.0 1.3
129 16 0 -1 32.557 65.114 0.349 4.82 2 191.9 123.3
130 16 0 -2 32.701 65.402 0.351 4.78 2 81.2 21.9
131 10 0 3 32.745 65.491 0.351 4.76 2 94.4 29.4
132 8 2 0 32.781 65.561 0.351 4.75 4 18.5 2.3
133 8 0 -5 32.787 65.574 0.352 4.75 2 66.6 14.6
134 11 1 2 32.91 65.819 0.353 4.71 4 8.7 0.5
135 13 1 1 33.127 66.255 0.355 4.65 4 142.7 131.3
136 4 2 2 33.182 66.365 0.355 4.63 4 8.1 0.4
137 0 0 5 33.185 66.371 0.355 4.63 2 52.2 8.7
138 11 1 -4 33.218 66.435 0.356 4.62 4 74.3 35.4
139 8 2 -2 33.672 67.344 0.36 4.49 4 43.5 11.8
140 15 1 -1 33.699 67.398 0.36 4.48 4 13.5 1.1
141 16 0 0 33.913 67.825 0.362 4.42 2 31.9 3.1
142 14 0 -4 33.971 67.941 0.363 4.41 2 98.1 29.5
143 15 1 -2 33.971 67.941 0.363 4.41 4 40.7 10.1
144 2 2 -3 34.167 68.335 0.365 4.35 4 48.5 14.2
145 10 0 -5 34.202 68.404 0.365 4.35 2 89.7 24.3
146 9 1 3 34.265 68.53 0.365 4.33 4 88.6 47.1
147 4 2 -3 34.288 68.577 0.366 4.32 4 57.2 19.6
148 5 1 4 34.33 68.661 0.366 4.31 4 12.4 0.9
149 16 0 -3 34.335 68.669 0.366 4.31 2 37.5 4.2
150 8 2 1 34.57 69.14 0.368 4.25 4 87.6 45.2
151 0 2 3 34.644 69.289 0.369 4.23 4 54.6 17.5
152 2 0 5 34.787 69.574 0.37 4.2 2 11.6 0.4
153 15 1 0 34.904 69.808 0.371 4.17 4 56.1 18.2
154 10 2 -1 34.931 69.861 0.372 4.16 4 5.5 0.2
155 6 2 -3 35.005 70.009 0.372 4.14 4 30.1 5.2
156 5 1 -5 35.135 70.271 0.374 4.11 4 63.5 23.0
157 6 2 2 35.2 70.401 0.374 4.1 4 28.7 4.7
158 3 1 -5 35.232 70.464 0.374 4.09 4 49.8 14.1
159 8 0 4 35.481 70.962 0.377 4.03 2 43.6 5.3
160 10 2 0 35.482 70.963 0.377 4.03 4 98.0 53.8
161 7 1 -5 35.629 71.259 0.378 4.0 4 4.7 0.1
162 15 1 -3 35.703 71.407 0.379 3.98 4 93.0 47.9
163 2 2 3 35.709 71.417 0.379 3.98 4 101.0 56.4
164 13 1 -4 35.767 71.535 0.379 3.97 4 38.2 8.0
165 10 2 -2 35.835 71.671 0.38 3.95 4 32.8 5.9
166 1 1 -5 35.917 71.834 0.381 3.94 4 63.2 21.8
167 14 0 2 35.981 71.963 0.381 3.92 2 42.0 4.8
168 12 0 -5 36.177 72.353 0.383 3.88 2 23.5 1.5
169 8 2 -3 36.3 72.601 0.384 3.86 4 34.1 6.2
170 16 0 1 36.687 73.374 0.388 3.78 2 16.9 0.7
171 9 1 -5 36.704 73.407 0.388 3.78 4 2.6 0.0
172 12 0 3 36.793 73.585 0.389 3.76 2 141.8 52.4
173 4 0 5 36.938 73.875 0.39 3.73 2 83.1 17.9
174 13 1 2 36.988 73.975 0.391 3.72 4 55.4 15.9
175 7 1 4 37.113 74.225 0.392 3.7 4 9.5 0.5
176 1 1 5 37.177 74.355 0.392 3.69 4 19.8 2.0
177 18 0 -2 37.236 74.472 0.393 3.68 2 55.9 8.0
178 4 2 3 37.339 74.678 0.394 3.66 4 61.0 18.9
179 18 0 -1 37.35 74.701 0.394 3.66 2 5.3 0.1
180 16 0 -4 37.367 74.733 0.394 3.65 2 36.0 3.3
181 10 2 1 37.461 74.923 0.395 3.64 4 22.5 2.5
182 15 1 1 37.522 75.045 0.395 3.63 4 13.1 0.9
183 8 2 2 37.746 75.492 0.397 3.59 4 27.5 3.8
184 12 2 -1 37.888 75.776 0.399 3.56 4 27.1 3.6
185 11 1 3 37.954 75.908 0.399 3.55 4 5.8 0.2
186 17 1 -1 38.142 76.284 0.401 3.52 4 64.2 20.2
187 17 1 -2 38.153 76.305 0.401 3.52 4 51.8 13.1
188 10 2 -3 38.153 76.306 0.401 3.52 4 63.5 19.7
189 11 1 -5 38.34 76.681 0.403 3.49 4 39.2 7.4
190 12 2 -2 38.519 77.038 0.404 3.46 4 29.5 4.2
191 18 0 -3 38.539 77.078 0.404 3.46 2 0.4 0.0
192 12 2 0 38.67 77.34 0.406 3.44 4 6.9 0.2
193 14 0 -5 38.681 77.363 0.406 3.44 2 17.9 0.8
194 4 2 -4 38.812 77.625 0.407 3.42 4 166.0 130.7
195 15 1 -4 38.815 77.631 0.407 3.42 4 17.3 1.4
196 18 0 0 38.878 77.756 0.407 3.41 2 5.7 0.1
197 2 2 -4 38.944 77.888 0.408 3.4 4 69.6 22.9
198 3 1 5 38.993 77.987 0.408 3.39 4 51.3 12.4
199 10 0 4 39.086 78.172 0.409 3.38 2 33.0 2.6
200 6 0 -6 39.198 78.396 0.41 3.36 2 25.3 1.5
201 6 2 -4 39.251 78.501 0.411 3.35 4 50.5 11.9
202 4 0 -6 39.253 78.506 0.411 3.35 2 18.7 0.8
203 6 2 3 39.513 79.027 0.413 3.32 4 14.8 1.0
204 17 1 0 39.537 79.075 0.413 3.31 4 35.5 5.8
205 17 1 -3 39.568 79.137 0.413 3.31 4 95.4 41.8
206 6 0 5 39.611 79.222 0.414 3.3 2 18.0 0.7
207 0 2 4 39.644 79.287 0.414 3.3 4 0.9 0.0
208 8 0 -6 39.712 79.423 0.415 3.29 2 95.0 20.6
209 2 0 -6 39.875 79.75 0.416 3.27 2 148.0 49.7
210 8 2 -4 40.254 80.507 0.419 3.22 4 14.8 1.0
211 9 1 4 40.386 80.772 0.421 3.21 4 55.9 13.9
212 13 1 -5 40.52 81.041 0.422 3.19 4 34.8 5.4
213 12 2 -3 40.542 81.084 0.422 3.19 4 74.9 24.8
214 16 0 2 40.777 81.553 0.424 3.16 2 31.9 2.2
215 10 0 -6 40.788 81.575 0.424 3.16 2 26.4 1.5
216 10 2 2 40.799 81.597 0.424 3.16 4 29.7 3.9
217 12 2 1 40.84 81.68 0.424 3.16 4 38.1 6.4
218 2 2 4 40.904 81.808 0.425 3.15 4 0.5 0.0
219 0 0 6 41.058 82.116 0.426 3.13 2 19.7 0.8
220 18 0 -4 41.218 82.437 0.428 3.11 2 61.1 8.1
221 14 0 3 41.24 82.48 0.428 3.11 2 58.9 7.5
222 14 2 -1 41.333 82.665 0.429 3.1 4 36.9 5.8
223 5 1 5 41.348 82.696 0.429 3.1 4 24.6 2.6
224 15 1 2 41.466 82.933 0.43 3.09 4 23.1 2.3
225 16 0 -5 41.7 83.399 0.432 3.07 2 18.8 0.7
226 14 2 -2 41.707 83.414 0.432 3.07 4 41.9 7.5
227 18 0 1 41.775 83.55 0.432 3.06 2 143.7 43.9
228 10 2 -4 41.812 83.624 0.433 3.06 4 19.1 1.5
229 13 1 3 42.087 84.174 0.435 3.03 4 20.2 1.7
230 20 0 -2 42.138 84.277 0.436 3.03 2 1.3 0.0
231 8 2 3 42.217 84.433 0.436 3.02 4 6.9 0.2
232 5 1 -6 42.275 84.55 0.437 3.01 4 3.7 0.1
233 17 1 1 42.303 84.606 0.437 3.01 4 26.8 3.0
234 14 2 0 42.34 84.68 0.437 3.01 4 40.6 6.9
235 17 1 -4 42.354 84.708 0.437 3.01 4 7.9 0.3
236 12 0 -6 42.418 84.836 0.438 3.0 2 72.8 11.0
237 20 0 -1 42.492 84.983 0.438 2.99 2 10.7 0.2
238 7 1 -6 42.501 85.002 0.439 2.99 4 104.9 45.8
239 3 1 -6 42.608 85.217 0.439 2.99 4 63.5 16.7
240 4 2 4 42.716 85.432 0.44 2.98 4 52.0 11.2
241 19 1 -2 42.749 85.498 0.441 2.97 4 16.9 1.2
242 2 0 6 42.794 85.587 0.441 2.97 2 23.9 1.2
243 8 0 5 42.797 85.594 0.441 2.97 2 33.5 2.3
244 19 1 -1 42.981 85.962 0.443 2.96 4 50.2 10.4
245 12 0 4 43.156 86.313 0.444 2.94 2 17.9 0.7
246 20 0 -3 43.164 86.327 0.444 2.94 2 61.3 7.7
247 15 1 -5 43.233 86.466 0.445 2.94 4 105.2 45.1
248 9 1 -6 43.286 86.572 0.445 2.93 4 17.3 1.2
249 14 2 -3 43.459 86.918 0.446 2.92 4 71.6 20.8
250 1 1 -6 43.5 87.0 0.447 2.92 4 18.6 1.4
251 19 1 -3 43.893 87.787 0.45 2.89 4 52.0 10.8
252 12 2 -4 43.919 87.839 0.45 2.89 4 22.6 2.0
253 11 1 4 44.157 88.314 0.452 2.87 4 26.0 2.7
254 1 3 0 44.18 88.359 0.452 2.87 4 15.6 1.0
255 20 0 0 44.219 88.439 0.453 2.87 2 40.5 3.3
256 7 1 5 44.235 88.471 0.453 2.87 4 19.5 1.5
257 12 2 2 44.361 88.723 0.454 2.86 4 78.7 24.6
258 4 2 -5 44.558 89.115 0.455 2.85 4 14.4 0.8
259 19 1 0 44.587 89.173 0.456 2.85 4 76.2 23.0
260 14 0 -6 44.597 89.195 0.456 2.85 2 1.6 0.0
261 11 1 -6 44.627 89.253 0.456 2.85 4 25.8 2.6
262 14 2 1 44.719 89.437 0.457 2.84 4 0.8 0.0
263 3 3 0 44.737 89.474 0.457 2.84 4 3.4 0.0
264 6 2 -5 44.745 89.491 0.457 2.84 4 53.5 11.3
265 1 3 -1 44.746 89.491 0.457 2.84 4 55.2 12.0
266 2 2 -5 44.927 89.855 0.458 2.83 4 27.4 3.0
267 1 1 6 44.948 89.895 0.459 2.83 4 9.5 0.4
268 1 3 1 44.987 89.974 0.459 2.83 4 25.0 2.5
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 0 1 6.285 12.57 7.03644 455.1 17.7 17.9 5.6
2 2 0 -1 6.455 12.91 6.85167 794.6 30.8 31.3 5.6
3 4 0 0 8.018 16.036 5.52245 44.7 1.7 1.8 5.6
4 2 0 1 8.344 16.687 5.30833 256.5 10.0 10.1 5.6
5 4 0 1 11.516 23.032 3.85834 200.8 7.8 7.9 5.6
6 6 0 -1 11.987 23.973 3.70895 1381.1 53.6 54.0 5.6
7 6 0 0 12.077 24.154 3.68163 83.6 3.2 3.3 5.6
8 0 0 2 12.647 25.294 3.51822 92.2 3.6 3.6 5.6
9 4 0 -2 12.994 25.987 3.42583 352.1 13.7 13.8 5.6
10 1 1 0 13.569 27.138 3.28313 45.1 1.8 1.8 5.6
11 2 0 2 14.325 28.65 3.11326 1094.6 42.5 42.7 5.6
12 1 1 -1 14.762 29.524 3.02303 496.3 19.3 19.3 5.6
13 6 0 -2 14.939 29.878 2.98799 558.5 21.7 21.8 5.6
14 6 0 1 15.159 30.319 2.94559 69.0 2.7 2.7 5.6
15 1 1 1 15.244 30.488 2.92957 51.7 2.0 2.0 5.6
16 3 1 1 16.751 33.503 2.67256 144.7 5.6 5.6 5.7
17 5 1 0 16.871 33.742 2.65412 2575.9 100.0 100.0 5.7
18 1 1 -2 18.317 36.635 2.45094 81.0 3.1 3.1 5.7
19 3 1 -2 18.443 36.886 2.43484 342.8 13.3 13.3 5.7
20 4 0 -3 18.63 37.261 2.41118 75.3 2.9 2.9 5.7
21 8 0 1 19.06 38.12 2.3588 241.3 9.4 9.3 5.7
22 1 1 2 19.111 38.222 2.35274 78.1 3.0 3.0 5.7
23 0 0 3 19.172 38.345 2.34548 115.2 4.5 4.5 5.7
24 7 1 -1 19.43 38.861 2.3155 31.6 1.2 1.2 5.7
25 7 1 0 19.68 39.36 2.28729 49.8 1.9 1.9 5.7
26 6 0 -3 19.71 39.421 2.28389 28.5 1.1 1.1 5.7
27 10 0 0 20.408 40.816 2.20898 174.5 6.8 6.7 5.7
28 2 0 3 20.735 41.469 2.17569 189.2 7.3 7.3 5.7
29 7 1 1 21.983 43.966 2.05774 80.5 3.1 3.1 5.7
30 4 0 3 22.991 45.983 1.97209 68.8 2.7 2.6 5.7
31 5 1 2 23.043 46.085 1.96793 56.9 2.2 2.2 5.7
32 3 1 -3 23.081 46.162 1.96485 49.1 1.9 1.9 5.7
33 1 1 -3 23.31 46.62 1.94658 37.0 1.4 1.4 5.7
34 9 1 -2 23.763 47.527 1.91155 141.1 5.5 5.4 5.7
35 10 0 -3 24.068 48.136 1.88877 48.7 1.9 1.9 5.7
36 7 1 -3 24.885 49.77 1.83051 105.4 4.1 4.0 5.7
37 4 0 -4 24.919 49.838 1.82818 352.1 13.7 13.4 5.7
38 2 0 -4 25.087 50.174 1.81674 61.7 2.4 2.4 5.7
39 6 0 -4 25.476 50.951 1.79082 30.7 1.2 1.2 5.8
40 11 1 -1 25.827 51.654 1.7681 543.8 21.1 20.7 5.8
41 7 1 2 25.901 51.802 1.7634 395.0 15.3 15.0 5.8
42 11 1 -2 26.751 53.501 1.71132 211.4 8.2 8.0 5.8
43 9 1 -3 26.805 53.609 1.70812 109.5 4.2 4.2 5.8
44 12 0 -3 27.077 54.154 1.69224 59.0 2.3 2.2 5.8
45 0 2 0 27.647 55.294 1.66 377.7 14.7 14.3 5.8
46 5 1 3 28.224 56.447 1.6288 87.8 3.4 3.3 5.8
47 0 2 1 28.474 56.948 1.61565 31.7 1.2 1.2 5.8
48 11 1 1 29.071 58.142 1.58529 29.1 1.1 1.1 5.8
49 1 1 -4 29.224 58.449 1.5777 46.2 1.8 1.7 5.8
50 7 1 -4 29.75 59.5 1.55231 47.0 1.8 1.8 5.8
51 13 1 -2 30.168 60.336 1.53278 27.9 1.1 1.1 5.8
52 1 1 4 30.343 60.686 1.52478 204.3 7.9 7.7 5.8
53 14 0 -3 30.513 61.026 1.51709 34.0 1.3 1.3 5.8
54 6 2 -1 30.556 61.112 1.51517 140.8 5.5 5.3 5.8
55 7 1 3 31.012 62.025 1.49504 274.7 10.7 10.3 5.8
56 9 1 -4 31.197 62.394 1.48708 215.9 8.4 8.1 5.8
57 12 0 2 31.534 63.068 1.47279 39.3 1.5 1.5 5.9
58 2 2 2 31.727 63.453 1.46479 169.6 6.6 6.4 5.9
59 6 2 -2 32.061 64.122 1.4511 113.2 4.4 4.2 5.9
60 16 0 -1 32.557 65.114 1.43137 123.3 4.8 4.6 5.9
61 10 0 3 32.745 65.491 1.42406 29.4 1.1 1.1 5.9
62 13 1 1 33.127 66.255 1.40947 131.3 5.1 4.9 5.9
63 11 1 -4 33.218 66.435 1.40608 35.4 1.4 1.3 5.9
64 14 0 -4 33.971 67.941 1.37854 39.6 1.5 1.5 5.9
65 9 1 3 34.265 68.53 1.36812 66.8 2.6 2.5 5.9
66 8 2 1 34.57 69.14 1.35753 45.2 1.8 1.7 5.9
67 10 2 0 35.482 70.963 1.32706 59.1 2.3 2.2 5.9
68 2 2 3 35.709 71.417 1.31974 104.3 4.0 3.9 5.9
69 12 0 3 36.793 73.585 1.28611 52.4 2.0 1.9 6.0
70 17 1 -1 38.142 76.284 1.24719 53.0 2.1 1.9 6.0
71 4 2 -4 38.812 77.625 1.22896 132.1 5.1 4.8 6.0
72 17 1 -3 39.568 79.137 1.20923 41.8 1.6 1.5 6.0
73 2 0 -6 39.875 79.75 1.20147 49.7 1.9 1.8 6.0
74 12 2 -3 40.542 81.084 1.18503 30.2 1.2 1.1 6.1
75 18 0 1 41.775 83.55 1.15622 43.9 1.7 1.6 6.1
76 7 1 -6 42.501 85.002 1.14013 45.8 1.8 1.6 6.1
77 15 1 -5 43.233 86.466 1.12455 45.1 1.8 1.6 6.1
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)
|