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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PHOSPHOPHYLLITE
1, f-hopeite
Zn(2)Fe[PO(4)](2).4H(2)O
Monoclinic P 2(1)/c Z = 2
R =0.032 NR =1999
22 .3 .1991
Ref.Str.:
Hill R.J. (1977)
* Amer. Mineral., 62, 812-817
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.378 alpha = 90.0
b = 5.084 beta = 121.14
c = 10.553 gamma = 90.0
Unit cell volume (cub. angs.) = 476.56
Molar volume ( cub.cm/mol.) = 143.53
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 0.0 Fe = 1.00
2 0.5002 0.31 0.3565 0.0 Zn = 1.00
3 0.6892 0.2871 0.1948 0.0 P = 1.00
4 0.9954 0.2958 0.1392 0.0 O = 1.00
5 0.1803 0.2897 0.503 0.0 O = 1.00
6 0.8542 0.2582 0.3158 0.0 O = 1.00
7 0.3526 0.0728 0.342 0.0 O = 1.00
8 0.6617 0.1323 0.0582 0.0 O = 1.00
9 0.586 0.1527 0.2445 0.0 O = 1.00
10 0.97 0.276 0.195 0.0 H = 1.00
11 0.054 0.403 0.177 0.0 H = 1.00
12 0.231 0.358 0.491 0.0 H = 1.00
13 0.219 0.154 0.547 0.0 H = 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 0.5002 0.31 0.3565
3 3 0.6892 0.2871 0.1948
4 4 0.9954 0.2958 0.1392
5 5 0.1803 0.2897 0.503
6 6 0.8542 0.2582 0.3158
7 7 0.3526 0.0728 0.342
8 8 0.6617 0.1323 0.0582
9 9 0.586 0.1527 0.2445
10 10 0.97 0.276 0.195
11 11 0.054 0.403 0.177
12 12 0.231 0.358 0.491
13 13 0.219 0.154 0.547
14 1 0.0 0.5 0.5
15 2 0.4998 0.81 0.1435
16 3 0.3108 0.7871 0.3052
17 4 0.0046 0.7958 0.3608
18 5 0.8197 0.7897 0.997
19 6 0.1458 0.7582 0.1842
20 7 0.6474 0.5728 0.158
21 8 0.3383 0.6323 0.4418
22 9 0.414 0.6527 0.2555
23 10 0.03 0.776 0.305
24 11 0.946 0.903 0.323
25 12 0.769 0.858 0.009
26 13 0.781 0.654 0.953
27 2 0.5002 0.19 0.8565
28 3 0.6892 0.2129 0.6948
29 4 0.9954 0.2042 0.6392
30 5 0.1803 0.2103 0.003
31 6 0.8542 0.2418 0.8158
32 7 0.3526 0.4272 0.842
33 8 0.6617 0.3677 0.5582
34 9 0.586 0.3473 0.7445
35 10 0.97 0.224 0.695
36 11 0.054 0.097 0.677
37 12 0.231 0.142 0.991
38 13 0.219 0.346 0.047
39 2 0.4998 0.69 0.6435
40 3 0.3108 0.7129 0.8052
41 4 0.0046 0.7042 0.8608
42 5 0.8197 0.7103 0.497
43 6 0.1458 0.7418 0.6842
44 7 0.6474 0.9272 0.658
45 8 0.3383 0.8677 0.9418
46 9 0.414 0.8473 0.7555
47 10 0.03 0.724 0.805
48 11 0.946 0.597 0.823
49 12 0.769 0.642 0.509
50 13 0.781 0.846 0.453
X-ray density (g/cm cub.) = 3.13
MU (1/cm) = 93.574 Mass attenuation coefficient (cm**2/g) = 29.941
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.592 6
2.12 4
2.141 5
2.1301 6
2.141 5
2.1301 6
2.12 4
2 Zn 2.628 4
1.8925 7
1.9794 9
1.9964 9
1.9329 8
3 P 2.232 4
1.5241 6
1.5341 8
1.5716 9
1.5081 7
4 O 3.264 8
2.9123 6
3.2176 8
3.0086 5
3.0606 5
2.7243 6
3.0603 6
2.9647 5
2.9492 6
5 O 3.264 8
2.9098 6
3.2315 7
3.0606 4
3.0086 4
2.6898 8
2.9647 4
3.1414 7
3.1266 6
6 O 3.264 9
2.9123 4
2.9098 5
2.4847 8
2.5367 9
3.0603 4
2.7243 4
2.4982 7
2.9492 4
3.1266 5
7 O 3.264 10
3.2315 5
3.1094 9
2.4982 6
3.0633 8
2.5116 8
3.2454 9
2.5303 9
3.1414 5
3.1897 8
3.2368 7
8 O 3.264 10
3.2176 4
2.4847 6
2.4679 9
2.6898 5
2.5116 7
3.0633 7
3.1897 7
3.1751 9
3.2123 8
3.2278 9
9 O 3.264 9
2.5367 6
3.1094 7
2.4679 8
2.5303 7
3.2454 7
3.1426 9
3.1426 9
3.1751 8
3.2278 8
10 H 1.632 1
0.7661 4
11 H 1.632 1
0.7584 4
12 H 1.632 1
0.6945 5
13 H 1.632 1
0.8124 5
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 0 0 5.779 11.559 0.056 194.26 2 78.1 1044.7
2 1 0 -2 9.76 19.521 0.095 66.67 2 49.8 145.8
3 2 0 -2 11.32 22.641 0.11 49.01 2 89.3 344.1
4 0 0 2 11.423 22.847 0.111 48.1 2 31.3 41.4
5 2 0 0 11.619 23.237 0.113 46.42 2 114.6 537.3
6 1 1 -1 11.622 23.245 0.113 46.39 4 31.2 79.6
7 0 1 1 11.648 23.295 0.113 46.18 4 73.3 437.3
8 1 1 0 11.696 23.392 0.113 45.78 4 58.9 280.0
9 1 1 -2 14.142 28.283 0.137 30.67 4 29.8 47.8
10 2 1 -1 14.262 28.524 0.138 30.12 4 50.3 134.5
11 1 1 1 14.325 28.649 0.138 29.85 4 4.8 1.2
12 3 0 -2 15.184 30.369 0.146 26.35 2 30.4 21.4
13 2 1 -2 15.284 30.568 0.147 25.98 4 99.7 455.0
14 1 0 2 15.341 30.682 0.148 25.77 2 137.7 430.3
15 0 1 2 15.362 30.724 0.148 25.7 4 51.3 119.3
16 2 1 0 15.511 31.022 0.149 25.17 4 50.7 114.1
17 3 0 0 17.583 35.167 0.169 19.18 2 9.0 1.4
18 2 1 -3 18.233 36.465 0.175 17.71 4 3.7 0.4
19 1 1 -3 18.283 36.566 0.175 17.61 4 58.4 105.6
20 3 1 -2 18.393 36.786 0.176 17.37 4 156.8 752.8
21 1 1 2 18.525 37.05 0.178 17.1 4 157.7 749.1
22 3 1 -1 18.538 37.076 0.178 17.08 4 3.0 0.3
23 2 1 1 18.62 37.24 0.178 16.91 4 60.7 109.6
24 2 0 -4 19.819 39.638 0.19 14.73 2 125.7 204.9
25 3 1 -3 20.06 40.12 0.192 14.34 4 126.1 401.5
26 4 0 -2 20.176 40.352 0.193 14.16 2 27.3 9.3
27 0 1 3 20.198 40.397 0.193 14.12 4 55.3 76.0
28 2 0 2 20.36 40.719 0.194 13.87 2 66.2 53.6
29 3 1 0 20.462 40.925 0.195 13.72 4 19.9 9.5
30 0 2 0 20.602 41.204 0.197 13.51 2 128.3 195.7
31 3 0 -4 20.653 41.306 0.197 13.44 2 60.6 43.5
32 1 0 -4 20.773 41.546 0.198 13.26 2 119.4 166.5
33 1 2 -1 21.426 42.853 0.204 12.38 4 25.1 13.8
34 0 2 1 21.441 42.882 0.204 12.36 4 40.0 34.9
35 1 2 0 21.469 42.938 0.205 12.32 4 81.3 143.3
36 2 1 -4 22.457 44.913 0.214 11.14 4 7.6 1.1
37 4 1 -2 22.779 45.559 0.216 10.78 4 24.4 11.3
38 2 1 2 22.946 45.892 0.218 10.61 4 71.1 94.3
39 1 2 -2 22.991 45.981 0.218 10.56 4 15.8 4.7
40 2 2 -1 23.07 46.141 0.219 10.48 4 75.9 106.3
41 1 2 1 23.112 46.223 0.219 10.43 4 4.8 0.4
42 4 0 -4 23.116 46.232 0.219 10.43 2 29.2 7.9
43 3 1 -4 23.213 46.426 0.22 10.33 4 61.3 68.3
44 1 1 -4 23.323 46.645 0.221 10.22 4 32.4 19.0
45 0 0 4 23.335 46.671 0.221 10.21 2 27.1 6.6
46 4 1 -3 23.397 46.794 0.222 10.15 4 27.0 13.0
47 1 1 3 23.601 47.202 0.224 9.95 4 69.1 83.8
48 4 1 -1 23.714 47.429 0.225 9.84 4 76.8 102.2
49 4 0 0 23.753 47.506 0.225 9.81 2 95.7 79.1
50 2 2 -2 23.761 47.522 0.225 9.8 4 33.9 19.8
51 3 1 1 23.809 47.618 0.226 9.75 4 18.5 5.9
52 0 2 2 23.815 47.63 0.226 9.75 4 80.3 110.8
53 2 2 0 23.918 47.836 0.227 9.65 4 11.0 2.1
54 4 1 -4 25.481 50.962 0.24 8.36 4 16.1 3.8
55 0 1 4 25.685 51.37 0.242 8.21 4 33.1 15.9
56 5 0 -2 25.812 51.624 0.243 8.12 2 99.3 70.4
57 2 2 -3 25.897 51.794 0.244 8.06 4 64.2 58.5
58 1 2 -3 25.935 51.87 0.244 8.03 4 20.8 6.1
59 3 0 2 26.015 52.029 0.245 7.97 2 19.4 2.6
60 3 2 -2 26.018 52.036 0.245 7.97 4 33.5 15.8
61 4 1 0 26.075 52.149 0.246 7.93 4 42.7 25.5
62 1 2 2 26.119 52.238 0.246 7.9 4 13.4 2.5
63 3 2 -1 26.129 52.257 0.246 7.89 4 57.2 45.5
64 2 2 1 26.191 52.383 0.247 7.85 4 16.9 3.9
65 5 0 -4 26.86 53.72 0.253 7.41 2 136.9 122.4
66 1 0 4 27.155 54.31 0.255 7.23 2 76.0 36.8
67 3 2 -3 27.311 54.621 0.256 7.14 4 36.1 16.4
68 0 2 3 27.42 54.841 0.257 7.07 4 20.7 5.3
69 3 1 -5 27.462 54.925 0.258 7.05 4 7.6 0.7
70 2 1 -5 27.523 55.046 0.258 7.01 4 72.4 64.7
71 3 2 0 27.63 55.26 0.259 6.95 4 96.3 113.5
72 5 1 -3 27.834 55.669 0.261 6.84 4 79.2 75.5
73 5 1 -2 28.01 56.02 0.263 6.74 4 86.0 87.8
74 2 1 3 28.086 56.173 0.263 6.7 4 4.5 0.2
75 3 1 2 28.201 56.402 0.264 6.64 4 132.6 205.6
76 4 1 -5 28.8 57.6 0.269 6.33 4 23.8 6.3
77 1 1 -5 28.976 57.953 0.271 6.24 4 20.5 4.6
78 5 1 -4 29.003 58.007 0.271 6.23 4 11.7 1.5
79 2 2 -4 29.251 58.503 0.273 6.11 4 147.1 232.9
80 1 1 4 29.284 58.568 0.273 6.1 4 28.7 8.8
81 5 1 -1 29.514 59.029 0.275 5.99 4 3.7 0.1
82 4 2 -2 29.52 59.039 0.275 5.99 4 72.8 55.9
83 4 1 1 29.619 59.237 0.276 5.94 4 31.8 10.6
84 2 2 2 29.658 59.317 0.277 5.92 4 64.7 43.7
85 3 2 -4 29.882 59.764 0.278 5.82 4 14.3 2.1
86 1 2 -4 29.974 59.948 0.279 5.78 4 11.8 1.4
87 4 2 -3 30.036 60.073 0.28 5.76 4 9.2 0.9
88 1 2 3 30.208 60.417 0.281 5.68 4 24.3 5.9
89 5 0 0 30.231 60.462 0.281 5.68 2 41.5 8.6
90 4 2 -1 30.304 60.608 0.282 5.64 4 57.6 33.0
91 3 2 1 30.384 60.767 0.283 5.61 4 33.7 11.2
92 3 0 -6 30.569 61.138 0.284 5.54 2 6.0 0.2
93 4 0 -6 31.161 62.322 0.289 5.31 2 44.7 9.3
94 2 0 -6 31.296 62.591 0.29 5.26 2 107.1 53.1
95 5 1 -5 31.421 62.842 0.291 5.21 4 75.9 52.8
96 6 0 -4 31.591 63.182 0.293 5.15 2 68.5 21.3
97 0 1 5 31.7 63.4 0.294 5.11 4 20.9 3.9
98 4 2 -4 31.817 63.633 0.295 5.07 4 77.5 53.7
99 2 0 4 31.946 63.893 0.296 5.02 2 25.9 3.0
100 6 0 -2 31.98 63.961 0.296 5.01 2 16.0 1.1
101 0 2 4 31.994 63.988 0.296 5.01 4 69.0 41.9
102 4 0 2 32.201 64.402 0.298 4.94 2 72.4 22.8
103 5 1 0 32.232 64.463 0.298 4.93 4 15.0 1.9
104 4 2 0 32.333 64.666 0.299 4.89 4 31.1 8.3
105 1 3 -1 32.47 64.94 0.3 4.85 4 81.2 56.4
106 0 3 1 32.481 64.962 0.3 4.85 4 23.8 4.8
107 1 3 0 32.502 65.004 0.3 4.84 4 30.5 7.9
108 3 1 -6 32.558 65.116 0.301 4.82 4 38.2 12.4
109 5 0 -6 33.031 66.063 0.305 4.68 2 18.6 1.4
110 6 1 -3 33.124 66.248 0.305 4.65 4 36.4 10.9
111 4 1 -6 33.13 66.26 0.306 4.65 4 74.3 45.1
112 2 1 -6 33.26 66.52 0.307 4.61 4 35.9 10.4
113 1 0 -6 33.292 66.584 0.307 4.6 2 17.9 1.3
114 3 1 3 33.417 66.833 0.308 4.56 4 74.6 44.7
115 6 1 -4 33.546 67.092 0.309 4.52 4 27.2 5.9
116 3 2 -5 33.556 67.112 0.309 4.52 4 26.2 5.5
117 2 2 -5 33.61 67.22 0.309 4.51 4 70.7 39.6
118 1 3 -2 33.667 67.334 0.31 4.49 4 20.3 3.3
119 2 3 -1 33.729 67.458 0.31 4.47 4 6.0 0.3
120 1 3 1 33.761 67.523 0.311 4.46 4 93.6 68.9
121 5 2 -3 33.887 67.774 0.312 4.43 4 0.8 0.0
122 2 1 4 33.891 67.781 0.312 4.43 4 72.3 40.8
123 6 1 -2 33.924 67.847 0.312 4.42 4 31.8 7.8
124 5 2 -2 34.044 68.088 0.313 4.39 4 7.5 0.4
125 2 2 3 34.112 68.225 0.313 4.37 4 36.3 10.1
126 4 1 2 34.138 68.276 0.314 4.36 4 61.3 28.8
127 3 2 2 34.215 68.43 0.314 4.34 4 55.5 23.6
128 2 3 -2 34.272 68.545 0.315 4.33 4 31.2 7.4
129 0 3 2 34.315 68.63 0.315 4.32 4 10.9 0.9
130 2 3 0 34.397 68.794 0.316 4.29 4 12.5 1.2
131 4 2 -5 34.753 69.506 0.319 4.2 4 42.8 13.5
132 1 2 -5 34.912 69.824 0.32 4.17 4 78.1 44.7
133 5 2 -4 34.937 69.873 0.32 4.16 4 34.7 8.8
134 5 1 -6 34.945 69.89 0.32 4.16 4 94.2 64.9
135 6 1 -5 35.168 70.337 0.322 4.1 4 8.6 0.5
136 1 2 4 35.19 70.381 0.322 4.1 4 7.6 0.4
137 1 1 -6 35.198 70.397 0.322 4.1 4 98.5 70.0
138 5 2 -1 35.399 70.799 0.324 4.05 4 46.7 15.6
139 4 2 1 35.494 70.988 0.325 4.03 4 84.2 50.3
140 1 1 5 35.537 71.074 0.325 4.02 4 70.6 35.3
141 6 1 -1 35.905 71.811 0.328 3.94 4 51.9 18.7
142 2 3 -3 36.002 72.003 0.329 3.92 4 103.6 74.0
143 5 1 1 36.02 72.041 0.329 3.92 4 27.4 5.2
144 1 3 -3 36.033 72.066 0.329 3.91 4 27.0 5.0
145 6 0 -6 36.078 72.156 0.329 3.9 2 156.8 84.5
146 3 3 -2 36.102 72.204 0.329 3.9 4 79.4 43.3
147 1 3 2 36.186 72.371 0.33 3.88 4 68.7 32.3
148 3 3 -1 36.194 72.387 0.33 3.88 4 109.5 81.9
149 2 3 1 36.246 72.491 0.331 3.87 4 8.9 0.5
150 0 0 6 36.453 72.907 0.332 3.83 2 125.1 52.8
151 5 2 -5 37.147 74.293 0.338 3.69 4 32.3 6.8
152 7 0 -4 37.167 74.334 0.338 3.69 2 126.1 51.6
153 6 0 0 37.17 74.341 0.338 3.69 2 177.1 101.8
154 3 3 -3 37.185 74.369 0.338 3.69 4 72.2 33.8
155 0 3 3 37.277 74.555 0.339 3.67 4 57.5 21.3
156 0 2 5 37.404 74.809 0.34 3.65 4 78.7 39.8
157 3 3 0 37.456 74.911 0.34 3.64 4 0.0 0.0
158 3 0 4 37.579 75.159 0.341 3.62 2 87.1 24.2
159 5 2 0 37.898 75.797 0.343 3.56 4 89.9 50.6
160 6 1 -6 37.924 75.847 0.344 3.56 4 32.3 6.5
161 3 2 -6 38.202 76.405 0.346 3.51 4 67.2 27.9
162 0 1 6 38.292 76.584 0.346 3.5 4 77.7 37.2
163 4 1 -7 38.348 76.695 0.347 3.49 4 67.7 28.1
164 3 1 -7 38.419 76.838 0.347 3.48 4 9.8 0.6
165 6 2 -3 38.732 77.464 0.35 3.43 4 10.4 0.7
166 4 2 -6 38.737 77.475 0.35 3.43 4 21.3 2.8
167 7 0 -2 38.745 77.491 0.35 3.43 2 17.5 0.9
168 2 3 -4 38.853 77.706 0.351 3.41 4 32.0 6.1
169 2 2 -6 38.86 77.719 0.351 3.41 4 22.3 3.0
170 5 0 2 38.989 77.979 0.352 3.39 2 49.1 7.2
171 7 1 -4 38.994 77.988 0.352 3.39 4 65.2 25.4
172 6 1 0 38.997 77.994 0.352 3.39 4 40.0 9.5
173 3 2 3 39.007 78.013 0.352 3.39 4 46.4 12.9
174 4 3 -2 39.088 78.175 0.352 3.38 4 36.7 8.0
175 6 2 -4 39.128 78.257 0.353 3.37 4 90.6 48.7
176 7 1 -3 39.202 78.404 0.353 3.36 4 31.7 6.0
177 2 3 2 39.209 78.419 0.353 3.36 4 36.0 7.7
178 3 1 4 39.4 78.8 0.355 3.33 4 77.9 35.6
179 3 3 -4 39.406 78.812 0.355 3.33 4 78.3 35.9
180 2 2 4 39.453 78.906 0.355 3.33 4 76.4 34.2
181 5 1 -7 39.465 78.931 0.355 3.32 4 5.9 0.2
182 6 2 -2 39.484 78.968 0.355 3.32 4 39.2 9.0
183 1 3 -4 39.487 78.974 0.355 3.32 4 5.6 0.2
184 4 1 3 39.536 79.073 0.356 3.31 4 11.9 0.8
185 4 3 -3 39.542 79.085 0.356 3.31 4 110.0 70.6
186 2 1 -7 39.678 79.356 0.357 3.3 4 39.8 9.2
187 4 2 2 39.686 79.373 0.357 3.29 4 18.5 2.0
188 1 3 3 39.694 79.388 0.357 3.29 4 49.7 14.3
189 4 3 -1 39.779 79.558 0.358 3.28 4 20.9 2.5
190 3 3 1 39.85 79.699 0.358 3.27 4 63.0 22.9
191 7 1 -5 39.932 79.864 0.359 3.26 4 34.0 6.7
192 7 0 -6 40.207 80.413 0.361 3.23 2 40.0 4.5
193 2 1 5 40.386 80.772 0.362 3.21 4 3.4 0.1
194 5 2 -6 40.451 80.903 0.363 3.2 4 64.9 23.7
195 7 1 -2 40.551 81.101 0.363 3.19 4 56.5 17.9
196 6 2 -5 40.664 81.328 0.364 3.18 4 60.2 20.2
197 1 0 6 40.69 81.38 0.364 3.17 2 28.1 2.2
198 1 2 -6 40.693 81.386 0.364 3.17 4 61.8 21.3
199 5 1 2 40.792 81.584 0.365 3.16 4 52.3 15.3
200 1 2 5 41.016 82.032 0.367 3.14 4 35.8 7.1
201 4 3 -4 41.133 82.266 0.368 3.12 4 21.6 2.6
202 0 3 4 41.293 82.587 0.369 3.11 4 15.8 1.4
203 6 2 -1 41.368 82.736 0.369 3.1 4 49.7 13.5
204 5 2 1 41.478 82.957 0.37 3.09 4 69.3 26.1
205 4 3 0 41.601 83.203 0.371 3.08 4 32.1 5.6
206 6 1 -7 41.747 83.494 0.372 3.06 4 44.7 10.8
207 7 1 -6 41.997 83.994 0.374 3.04 4 59.1 18.7
208 1 1 -7 42.097 84.194 0.375 3.03 4 19.5 2.0
209 1 1 6 42.476 84.953 0.377 3.0 4 78.2 32.3
210 4 0 -8 42.696 85.392 0.379 2.98 2 85.6 19.2
211 3 3 -5 42.723 85.446 0.379 2.98 4 54.2 15.4
212 2 3 -5 42.773 85.546 0.38 2.97 4 11.2 0.7
213 7 1 -1 43.018 86.035 0.381 2.95 4 20.7 2.2
214 5 3 -3 43.03 86.059 0.381 2.95 4 44.9 10.5
215 6 1 1 43.147 86.294 0.382 2.94 4 47.6 11.7
216 5 3 -2 43.175 86.351 0.382 2.94 4 58.6 17.8
217 5 0 -8 43.199 86.397 0.383 2.94 2 58.5 8.9
218 2 3 3 43.239 86.478 0.383 2.94 4 102.6 54.4
219 6 2 -6 43.315 86.63 0.383 2.93 4 46.7 11.3
220 3 3 2 43.335 86.669 0.384 2.93 4 59.0 18.0
221 3 0 -8 43.358 86.716 0.384 2.93 2 50.9 6.7
222 8 0 -4 43.615 87.23 0.386 2.91 2 74.2 14.1
223 0 2 6 43.673 87.346 0.386 2.91 4 32.7 5.5
224 4 2 -7 43.727 87.455 0.386 2.9 4 9.2 0.4
225 3 2 -7 43.797 87.594 0.387 2.9 4 2.6 0.0
226 4 3 -5 43.837 87.675 0.387 2.89 4 42.1 9.0
227 1 3 -5 43.987 87.973 0.388 2.89 4 18.1 1.7
228 5 3 -4 44.01 88.019 0.388 2.88 4 17.5 1.6
229 4 0 4 44.093 88.185 0.389 2.88 2 76.5 14.8
230 1 3 4 44.248 88.497 0.39 2.87 4 22.6 2.6
231 7 2 -4 44.358 88.717 0.391 2.86 4 29.2 4.3
232 6 2 0 44.362 88.723 0.391 2.86 4 61.3 18.9
233 5 3 -1 44.446 88.891 0.391 2.86 4 70.3 24.9
234 4 1 -8 44.472 88.944 0.392 2.86 4 63.4 20.2
235 4 3 1 44.535 89.07 0.392 2.85 4 27.9 3.9
236 7 2 -3 44.562 89.124 0.392 2.85 4 11.5 0.7
237 0 4 0 44.728 89.456 0.393 2.84 2 48.4 5.9
238 3 2 4 44.756 89.512 0.394 2.84 4 25.2 3.2
239 5 2 -7 44.82 89.641 0.394 2.84 4 0.4 0.0
240 7 0 0 44.82 89.641 0.394 2.84 2 17.7 0.8
241 6 0 -8 44.863 89.726 0.394 2.84 2 20.0 1.0
242 4 2 3 44.89 89.78 0.395 2.83 4 44.4 9.9
243 5 1 -8 44.973 89.946 0.395 2.83 4 108.9 59.1
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 0 0 5.779 11.559 8.8826 1044.7 100.0 100.0 5.6
2 1 0 -2 9.76 19.521 5.27623 145.8 14.0 13.9 5.6
3 2 0 -2 11.32 22.641 4.55668 344.1 32.9 32.7 5.6
4 0 0 2 11.423 22.847 4.51619 41.4 4.0 3.9 5.6
5 2 0 0 11.619 23.237 4.4413 617.0 59.1 58.6 5.6
6 0 1 1 11.648 23.295 4.4304 437.3 41.9 41.5 5.6
7 1 1 0 11.696 23.392 4.41239 280.0 26.8 26.6 5.6
8 1 1 -2 14.142 28.283 3.661 47.8 4.6 4.5 5.6
9 2 1 -1 14.262 28.524 3.6307 134.5 12.9 12.7 5.6
10 3 0 -2 15.184 30.369 3.41493 21.4 2.1 2.0 5.6
11 2 1 -2 15.284 30.568 3.39323 455.0 43.6 43.0 5.6
12 1 0 2 15.341 30.682 3.3809 549.6 52.6 51.9 5.6
13 2 1 0 15.511 31.022 3.34476 114.1 10.9 10.8 5.6
14 1 1 -3 18.283 36.566 2.85126 105.6 10.1 9.9 5.7
15 3 1 -2 18.393 36.786 2.83479 752.8 72.1 70.7 5.7
16 1 1 2 18.525 37.05 2.81523 749.4 71.7 70.4 5.7
17 2 1 1 18.62 37.24 2.80138 109.6 10.5 10.3 5.7
18 2 0 -4 19.819 39.638 2.63811 204.9 19.6 19.2 5.7
19 3 1 -3 20.06 40.12 2.60773 401.5 38.4 37.6 5.7
20 0 1 3 20.198 40.397 2.5906 85.3 8.2 8.0 5.7
21 2 0 2 20.36 40.719 2.57095 53.6 5.1 5.0 5.7
22 0 2 0 20.602 41.204 2.542 195.7 18.7 18.3 5.7
23 3 0 -4 20.653 41.306 2.53598 43.5 4.2 4.1 5.7
24 1 0 -4 20.773 41.546 2.52195 166.5 15.9 15.6 5.7
25 1 2 0 21.469 42.938 2.44389 191.9 18.4 17.9 5.7
26 4 1 -2 22.779 45.559 2.31016 11.3 1.1 1.1 5.7
27 2 1 2 22.946 45.892 2.29428 94.3 9.0 8.8 5.7
28 2 2 -1 23.07 46.141 2.2826 106.3 10.2 9.9 5.7
29 3 1 -4 23.213 46.426 2.26932 68.3 6.5 6.4 5.7
30 1 1 -4 23.323 46.645 2.25925 25.6 2.4 2.4 5.7
31 4 1 -3 23.397 46.794 2.25246 13.0 1.2 1.2 5.7
32 1 1 3 23.601 47.202 2.2341 83.8 8.0 7.8 5.7
33 4 1 -1 23.714 47.429 2.22404 102.2 9.8 9.5 5.7
34 4 0 0 23.753 47.506 2.22065 98.9 9.5 9.2 5.7
35 0 2 2 23.815 47.63 2.2152 116.7 11.2 10.8 5.7
36 0 1 4 25.685 51.37 2.06369 15.9 1.5 1.5 5.8
37 5 0 -2 25.812 51.624 2.05423 70.4 6.7 6.5 5.8
38 2 2 -3 25.897 51.794 2.04798 58.5 5.6 5.4 5.8
39 3 2 -2 26.018 52.036 2.03909 18.4 1.8 1.7 5.8
40 4 1 0 26.075 52.149 2.03499 25.5 2.4 2.4 5.8
41 3 2 -1 26.129 52.257 2.03108 48.0 4.6 4.4 5.8
42 5 0 -4 26.86 53.72 1.97971 122.4 11.7 11.3 5.8
43 1 0 4 27.155 54.31 1.95982 36.8 3.5 3.4 5.8
44 3 2 -3 27.311 54.621 1.9495 16.4 1.6 1.5 5.8
45 2 1 -5 27.523 55.046 1.93561 64.7 6.2 6.0 5.8
46 3 2 0 27.63 55.26 1.9287 113.5 10.9 10.4 5.8
47 5 1 -3 27.834 55.669 1.91567 75.5 7.2 6.9 5.8
48 5 1 -2 28.01 56.02 1.90463 87.8 8.4 8.1 5.8
49 3 1 2 28.201 56.402 1.89276 205.6 19.7 18.9 5.8
50 2 2 -4 29.251 58.503 1.8305 232.9 22.3 21.3 5.8
51 4 2 -2 29.52 59.039 1.81535 55.9 5.3 5.1 5.8
52 4 1 1 29.619 59.237 1.80983 10.6 1.0 1.0 5.8
53 2 2 2 29.658 59.317 1.80762 43.7 4.2 4.0 5.8
54 5 0 0 30.231 60.462 1.77652 14.5 1.4 1.3 5.8
55 4 2 -1 30.304 60.608 1.77266 33.0 3.2 3.0 5.8
56 3 2 1 30.384 60.767 1.76844 11.2 1.1 1.0 5.8
57 2 0 -6 31.296 62.591 1.72192 53.1 5.1 4.8 5.8
58 5 1 -5 31.421 62.842 1.71574 52.8 5.1 4.8 5.9
59 6 0 -4 31.591 63.182 1.70746 21.3 2.0 1.9 5.9
60 4 2 -4 31.817 63.633 1.69661 53.7 5.1 4.9 5.9
61 0 2 4 31.994 63.988 1.6882 43.1 4.1 3.9 5.9
62 4 0 2 32.201 64.402 1.67849 22.8 2.2 2.1 5.9
63 1 3 -1 32.47 64.94 1.66611 61.2 5.9 5.5 5.9
64 3 1 -6 32.558 65.116 1.6621 12.4 1.2 1.1 5.9
65 4 1 -6 33.13 66.26 1.63659 56.0 5.4 5.1 5.9
66 3 1 3 33.417 66.833 1.62416 44.7 4.3 4.0 5.9
67 6 1 -4 33.546 67.092 1.61862 11.4 1.1 1.0 5.9
68 2 2 -5 33.61 67.22 1.6159 39.6 3.8 3.6 5.9
69 1 3 1 33.761 67.523 1.60951 68.9 6.6 6.2 5.9
70 2 1 4 33.891 67.781 1.6041 40.8 3.9 3.7 5.9
71 4 1 2 34.138 68.276 1.59387 39.0 3.7 3.5 5.9
72 3 2 2 34.215 68.43 1.59071 23.6 2.3 2.1 5.9
73 4 2 -5 34.753 69.506 1.56911 13.5 1.3 1.2 5.9
74 1 2 -5 34.912 69.824 1.56287 53.5 5.1 4.8 5.9
75 5 1 -6 34.945 69.89 1.56159 64.9 6.2 5.8 5.9
76 1 1 -6 35.198 70.397 1.55178 70.0 6.7 6.3 5.9
77 5 2 -1 35.399 70.799 1.54411 15.6 1.5 1.4 5.9
78 4 2 1 35.494 70.988 1.54053 50.3 4.8 4.5 5.9
79 1 1 5 35.537 71.074 1.53891 35.3 3.4 3.2 5.9
80 6 1 -1 35.905 71.811 1.52521 18.7 1.8 1.7 5.9
81 2 3 -3 36.002 72.003 1.52168 79.2 7.6 7.1 5.9
82 6 0 -6 36.078 72.156 1.51889 127.8 12.2 11.4 5.9
83 3 3 -1 36.194 72.387 1.51471 114.1 10.9 10.2 5.9
84 0 0 6 36.453 72.907 1.5054 52.8 5.0 4.7 6.0
85 6 0 0 37.17 74.341 1.48043 194.0 18.6 17.3 6.0
86 0 3 3 37.277 74.555 1.4768 21.3 2.0 1.9 6.0
87 0 2 5 37.404 74.809 1.47252 39.8 3.8 3.5 6.0
88 3 0 4 37.579 75.159 1.46666 24.2 2.3 2.2 6.0
89 5 2 0 37.898 75.797 1.45616 57.2 5.5 5.1 6.0
90 3 2 -6 38.202 76.405 1.44632 27.9 2.7 2.5 6.0
91 0 1 6 38.292 76.584 1.44345 37.2 3.6 3.3 6.0
92 4 1 -7 38.348 76.695 1.44167 28.1 2.7 2.5 6.0
93 3 2 3 39.007 78.013 1.42111 55.0 5.3 4.9 6.0
94 6 2 -4 39.128 78.257 1.41739 48.7 4.7 4.3 6.0
95 2 3 2 39.209 78.419 1.41493 13.6 1.3 1.2 6.0
96 3 3 -4 39.406 78.812 1.40902 71.6 6.9 6.3 6.0
97 2 2 4 39.453 78.906 1.40761 34.4 3.3 3.0 6.0
98 4 3 -3 39.542 79.085 1.40495 70.6 6.8 6.2 6.0
99 1 3 3 39.694 79.388 1.40046 25.5 2.4 2.3 6.0
100 3 3 1 39.85 79.699 1.39591 22.9 2.2 2.0 6.0
101 5 2 -6 40.451 80.903 1.37863 23.7 2.3 2.1 6.1
102 7 1 -2 40.551 81.101 1.37584 17.9 1.7 1.6 6.1
103 1 2 -6 40.693 81.386 1.37186 43.8 4.2 3.8 6.1
104 5 1 2 40.792 81.584 1.36911 15.3 1.5 1.3 6.1
105 6 2 -1 41.368 82.736 1.35341 13.5 1.3 1.2 6.1
106 5 2 1 41.478 82.957 1.35046 26.1 2.5 2.3 6.1
107 6 1 -7 41.747 83.494 1.34335 10.8 1.0 0.9 6.1
108 7 1 -6 41.997 83.994 1.33683 18.7 1.8 1.6 6.1
109 1 1 6 42.476 84.953 1.32456 32.3 3.1 2.8 6.1
110 4 0 -8 42.696 85.392 1.31906 34.6 3.3 3.0 6.1
111 5 3 -3 43.03 86.059 1.3108 12.7 1.2 1.1 6.1
112 5 3 -2 43.175 86.351 1.30724 38.4 3.7 3.3 6.1
113 2 3 3 43.239 86.478 1.3057 54.4 5.2 4.7 6.1
114 3 3 2 43.335 86.669 1.30339 35.9 3.4 3.1 6.1
115 8 0 -4 43.615 87.23 1.29668 14.1 1.4 1.2 6.2
116 4 0 4 44.093 88.185 1.28548 14.8 1.4 1.3 6.2
117 6 2 0 44.362 88.723 1.27929 23.2 2.2 2.0 6.2
118 5 3 -1 44.446 88.891 1.27738 45.1 4.3 3.9 6.2
119 5 1 -8 44.973 89.946 1.26555 59.1 5.7 5.1 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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