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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METAVIVIANITE
1
Fe++Fe+++(2)[PO(4)](2)(OH)(2).6H(2)O
Triclinic P 1(-) Z = 1
R =0.06
19 .10 .12
Ref.Str.:
Chukanov N.V., Scholz R., Aksenov S.M., Rastsvetaeva R.K., Pekov I.V.,
Belakovskiy D.I. at al. (2012)
* Mineral. Mag., 76, 725-741
R: from Boa Vista pegmatite, near Galileia, Minas Gerais, Brazil.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.989 alpha = 97.34
b = 9.321 beta = 95.96
c = 4.629 gamma = 108.59
Unit cell volume (cub. angs.) = 320.18
Molar volume ( cub.cm/mol.) = 192.86
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.5 0.0 0.0 Fe = 1.00
2 0.1305 0.9155 0.498 0.0 Fe = 1.00
3 0.1888 0.1768 0.0579 0.0 P = 1.00
4 0.045 0.219 0.871 0.0 O = 1.00
5 0.257 0.064 0.871 0.0 O = 1.00
6 0.343 0.324 0.189 0.0 O = 1.00
7 0.105 0.101 0.312 0.0 O = 1.00
8 0.351 0.92 0.322 0.0 OH = 0.5 , H(2)O = 0.5
9 0.259 0.477 0.697 0.0 H(2)O = 1.00
10 0.137 0.725 0.69 0.0 OH = 0.5 , H(2)O = 0.5
11 0.56 0.342 0.696 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.5 0.0
2 2 0.1305 0.9155 0.498
3 3 0.1888 0.1768 0.0579
4 4 0.045 0.219 0.871
5 5 0.257 0.064 0.871
6 6 0.343 0.324 0.189
7 7 0.105 0.101 0.312
8 8 0.351 0.92 0.322
9 9 0.259 0.477 0.697
10 10 0.137 0.725 0.69
11 11 0.56 0.342 0.696
12 2 0.8695 0.0845 0.502
13 3 0.8112 0.8232 0.9421
14 4 0.955 0.781 0.129
15 5 0.743 0.936 0.129
16 6 0.657 0.676 0.811
17 7 0.895 0.899 0.688
18 8 0.649 0.08 0.678
19 9 0.741 0.523 0.303
20 10 0.863 0.275 0.31
21 11 0.44 0.658 0.304
X-ray density (g/cm cub.) = 2.59
MU (1/cm) = 107.402 Mass attenuation coefficient (cm**2/g) = 41.466
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.76 6
2.0767 6
2.1953 9
2.107 11
2.0767 6
2.1953 9
2.107 11
2 Fe 2.76 6
2.0133 5
2.0835 7
2.0071 8
2.0971 10
2.0712 4
2.1285 7
3 P 2.4 4
1.5465 4
1.5432 5
1.524 6
1.5509 7
4 O 3.432 10
2.5526 5
2.4922 6
2.5126 7
2.8287 7
2.7412 9
3.3987 5
2.8133 7
2.9982 8
2.7097 10
3.0293 10
5 O 3.432 11
2.5526 4
2.5157 6
2.5224 7
2.8516 7
2.7851 8
2.9985 8
2.9717 10
3.1898 11
3.3987 4
2.7873 7
3.3083 8
6 O 3.432 9
2.4922 4
2.5157 5
2.5035 7
2.8451 9
2.9654 9
2.7222 11
2.9959 11
3.0774 9
2.9204 11
7 O 3.432 11
2.8287 4
2.5126 4
2.8516 5
2.5224 5
2.5035 6
2.9708 8
2.8133 4
2.7873 5
2.9696 7
3.2083 7
2.8927 10
8 OH ,H(2)O 3.6 9
2.9985 5
2.7851 5
2.9708 7
2.9228 10
3.2259 10
2.9982 4
3.3083 5
2.627 8
2.7466 11
9 H(2)O 3.6 10
2.7412 4
2.9654 6
2.8451 6
3.4889 7
2.7827 10
3.0489 11
3.0774 6
3.3055 10
3.0367 11
2.8323 11
10 OH ,H(2)O 3.6 9
2.9717 5
3.2259 8
2.9228 8
2.7827 9
2.7097 4
3.0293 4
2.8927 7
3.3055 9
3.3195 11
11 H(2)O 3.6 9
3.1898 5
2.9959 6
2.7222 6
3.0489 9
2.9204 6
2.7466 8
3.0367 9
2.8323 9
3.3195 10
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 1 0 5.898 11.795 0.057 186.46 2 41.0 612.0
2 1 0 0 6.866 13.732 0.067 136.98 2 23.1 142.4
3 -1 1 0 7.398 14.796 0.072 117.68 2 85.1 1664.3
4 1 1 0 10.485 20.971 0.102 57.48 2 58.7 386.8
5 0 0 1 11.372 22.743 0.11 48.55 2 0.6 0.0
6 -1 2 0 11.534 23.069 0.112 47.13 2 33.2 101.6
7 0 2 0 11.859 23.718 0.115 44.48 2 24.8 53.3
8 0 -1 1 11.9 23.8 0.115 44.16 2 38.8 129.9
9 -1 0 1 12.374 24.747 0.12 40.68 2 32.5 83.7
10 -2 1 0 13.076 26.151 0.126 36.22 2 37.3 98.5
11 -1 1 1 13.579 27.157 0.131 33.44 2 51.8 174.8
12 1 -1 1 13.663 27.325 0.132 33.0 2 49.5 158.0
13 0 1 1 13.732 27.464 0.133 32.65 2 51.4 168.2
14 2 0 0 13.833 27.666 0.134 32.15 2 11.6 8.5
15 -1 -1 1 13.915 27.83 0.134 31.75 2 19.2 22.8
16 1 0 1 14.229 28.458 0.137 30.27 2 44.1 115.0
17 -2 2 0 14.923 29.846 0.144 27.35 2 4.1 0.9
18 0 -2 1 15.033 30.067 0.145 26.92 2 21.4 24.1
19 1 -2 1 15.596 31.192 0.15 24.87 2 20.3 20.0
20 1 2 0 15.682 31.364 0.151 24.58 2 18.9 17.1
21 -2 0 1 16.592 33.184 0.16 21.76 2 18.4 14.4
22 -2 1 1 16.69 33.379 0.161 21.48 2 28.1 33.1
23 2 1 0 16.875 33.75 0.162 20.98 2 27.5 31.0
24 -1 3 0 16.899 33.799 0.162 20.91 2 30.2 37.1
25 -1 2 1 16.996 33.991 0.163 20.65 2 15.9 10.2
26 1 1 1 17.069 34.139 0.164 20.46 2 75.4 226.8
27 -1 -2 1 17.544 35.087 0.168 19.27 2 95.7 344.1
28 0 2 1 17.946 35.892 0.172 18.34 2 17.6 11.0
29 0 3 0 17.954 35.908 0.172 18.32 2 30.7 33.6
30 2 -1 1 18.209 36.418 0.175 17.76 2 29.3 29.8
31 -2 -1 1 18.599 37.198 0.178 16.95 2 68.1 153.4
32 -2 3 0 18.679 37.357 0.179 16.79 2 17.5 10.1
33 -2 2 1 18.863 37.725 0.181 16.44 2 76.6 188.0
34 2 -2 1 18.988 37.976 0.182 16.2 2 61.2 118.2
35 1 -3 1 19.359 38.719 0.185 15.52 2 47.6 68.6
36 2 0 1 19.419 38.838 0.186 15.41 2 32.8 32.4
37 0 -3 1 19.657 39.314 0.188 15.0 2 58.5 100.2
38 -3 1 0 19.767 39.533 0.189 14.82 2 36.4 38.3
39 -3 2 0 20.377 40.753 0.195 13.85 2 33.3 30.0
40 3 0 0 21.017 42.033 0.2 12.92 2 56.3 79.9
41 2 2 0 21.344 42.689 0.203 12.48 2 1.9 0.1
42 1 2 1 21.39 42.78 0.204 12.42 2 78.8 150.6
43 1 3 0 21.483 42.966 0.205 12.3 2 7.6 1.4
44 2 -3 1 21.574 43.147 0.206 12.19 2 54.8 71.5
45 -1 3 1 21.713 43.426 0.207 12.01 2 30.1 21.3
46 -3 1 1 21.841 43.683 0.208 11.85 2 62.6 90.7
47 -2 -2 1 22.221 44.443 0.211 11.4 2 11.4 2.9
48 2 1 1 22.346 44.692 0.213 11.26 2 54.7 65.7
49 -1 -3 1 22.383 44.766 0.213 11.22 2 6.8 1.0
50 -3 0 1 22.444 44.887 0.213 11.15 2 32.4 22.9
51 -2 3 1 22.6 45.201 0.215 10.98 2 49.2 51.9
52 -3 3 0 22.723 45.447 0.216 10.84 2 1.7 0.1
53 -1 4 0 22.797 45.595 0.217 10.76 2 61.3 79.0
54 -3 2 1 22.962 45.923 0.218 10.59 2 52.2 56.2
55 0 -1 2 22.965 45.931 0.218 10.59 2 28.9 17.3
56 0 3 1 23.156 46.313 0.22 10.39 2 16.1 5.3
57 -1 0 2 23.209 46.417 0.22 10.34 2 19.8 7.9
58 0 0 2 23.225 46.45 0.22 10.32 2 25.9 13.5
59 -2 4 0 23.573 47.146 0.224 9.98 2 29.0 16.4
60 -1 -1 2 23.601 47.203 0.224 9.95 2 9.1 1.6
61 3 1 0 23.888 47.777 0.226 9.68 2 15.7 4.6
62 3 -2 1 24.2 48.399 0.229 9.4 2 53.9 53.3
63 3 -1 1 24.203 48.407 0.229 9.4 2 32.7 19.6
64 1 -4 1 24.244 48.487 0.23 9.36 2 64.7 76.4
65 0 4 0 24.268 48.536 0.23 9.34 2 5.0 0.5
66 0 -2 2 24.356 48.713 0.231 9.26 2 18.9 6.5
67 -1 1 2 24.458 48.916 0.231 9.18 2 36.2 23.4
68 1 -1 2 24.56 49.119 0.232 9.09 2 34.9 21.6
69 -3 -1 1 24.669 49.338 0.233 9.0 2 8.4 1.3
70 0 1 2 25.096 50.192 0.237 8.65 2 21.3 7.7
71 0 -4 1 25.115 50.23 0.237 8.64 2 39.4 26.2
72 1 -2 2 25.278 50.555 0.239 8.51 2 0.5 0.0
73 -2 0 2 25.377 50.754 0.24 8.44 2 20.1 6.7
74 1 0 2 25.423 50.846 0.24 8.4 2 14.1 3.2
75 2 -4 1 25.523 51.046 0.241 8.33 2 51.4 42.9
76 -1 -2 2 25.579 51.158 0.241 8.29 2 14.2 3.3
77 -3 3 1 25.628 51.257 0.242 8.25 2 57.1 52.5
78 3 -3 1 25.776 51.552 0.243 8.14 2 43.3 29.8
79 3 0 1 25.787 51.574 0.243 8.14 2 20.4 6.6
80 -2 1 2 25.953 51.906 0.245 8.02 2 22.0 7.6
81 -2 -1 2 26.345 52.691 0.248 7.75 2 30.9 14.4
82 -3 4 0 26.444 52.888 0.249 7.68 2 27.7 11.5
83 2 2 1 26.542 53.084 0.25 7.62 2 43.4 28.0
84 1 3 1 26.636 53.272 0.251 7.56 2 36.9 20.0
85 2 3 0 26.694 53.388 0.251 7.52 2 12.8 2.4
86 -4 2 0 26.903 53.805 0.253 7.39 2 4.2 0.2
87 -2 -3 1 26.953 53.905 0.253 7.36 2 41.2 24.3
88 -4 1 0 27.002 54.005 0.254 7.33 2 46.1 30.4
89 -1 2 2 27.179 54.359 0.255 7.22 2 38.6 21.0
90 0 -3 2 27.207 54.415 0.256 7.2 2 34.1 16.4
91 -1 4 1 27.234 54.468 0.256 7.18 2 25.8 9.3
92 -2 4 1 27.413 54.825 0.257 7.08 2 24.6 8.4
93 1 -3 2 27.487 54.974 0.258 7.03 2 1.5 0.0
94 1 4 0 27.715 55.43 0.26 6.9 2 20.9 5.9
95 1 1 2 27.761 55.522 0.26 6.88 2 78.2 82.0
96 -1 -4 1 27.991 55.981 0.262 6.75 2 36.7 17.8
97 3 2 0 28.005 56.01 0.262 6.74 2 3.9 0.2
98 -2 2 2 28.005 56.011 0.262 6.74 2 2.8 0.1
99 2 -1 2 28.101 56.201 0.263 6.69 2 54.0 38.1
100 -4 1 1 28.174 56.349 0.264 6.65 2 41.9 22.8
101 2 -2 2 28.19 56.381 0.264 6.64 2 10.8 1.5
102 -3 -2 1 28.232 56.464 0.264 6.62 2 11.6 1.7
103 -4 3 0 28.278 56.557 0.265 6.6 2 31.5 12.8
104 0 2 2 28.344 56.687 0.265 6.56 2 38.2 18.7
105 -4 2 1 28.552 57.104 0.267 6.45 2 25.9 8.5
106 4 0 0 28.567 57.134 0.267 6.45 2 25.1 7.9
107 3 -4 1 28.745 57.49 0.269 6.36 2 12.2 1.9
108 -2 -2 2 28.749 57.497 0.269 6.35 2 56.1 39.1
109 3 1 1 28.762 57.524 0.269 6.35 2 32.9 13.4
110 -1 -3 2 28.906 57.811 0.27 6.28 2 45.8 25.7
111 0 4 1 29.028 58.056 0.271 6.22 2 36.1 15.8
112 -1 5 0 29.125 58.249 0.272 6.17 2 11.1 1.5
113 -2 5 0 29.227 58.455 0.273 6.12 2 31.8 12.1
114 -4 0 1 29.236 58.472 0.273 6.12 2 58.9 41.5
115 -3 1 2 29.348 58.696 0.274 6.07 2 15.0 2.7
116 -3 0 2 29.376 58.752 0.274 6.05 2 76.5 69.1
117 2 0 2 29.446 58.892 0.275 6.02 2 3.4 0.1
118 -3 4 1 29.541 59.082 0.276 5.98 2 25.9 7.8
119 2 -3 2 29.707 59.414 0.277 5.9 2 58.0 38.7
120 1 -5 1 29.897 59.794 0.279 5.82 2 54.9 34.2
121 -4 3 1 30.334 60.668 0.282 5.63 2 14.6 2.4
122 2 -5 1 30.475 60.951 0.284 5.57 2 1.1 0.0
123 4 -2 1 30.578 61.155 0.284 5.53 2 16.6 3.0
124 -3 2 2 30.716 61.432 0.286 5.48 2 49.0 25.7
125 -3 -1 2 30.799 61.598 0.286 5.45 2 0.8 0.0
126 0 5 0 30.914 61.829 0.287 5.4 2 67.1 47.5
127 1 -4 2 30.972 61.944 0.288 5.38 2 86.8 79.1
128 -4 4 0 31.0 62.001 0.288 5.37 2 75.4 59.5
129 -1 3 2 31.112 62.224 0.289 5.32 2 24.4 6.2
130 4 -1 1 31.119 62.238 0.289 5.32 2 10.9 1.2
131 0 -5 1 31.194 62.387 0.29 5.29 2 21.1 4.6
132 -3 5 0 31.211 62.422 0.29 5.29 2 14.9 2.3
133 0 -4 2 31.25 62.499 0.29 5.27 2 8.8 0.8
134 -2 3 2 31.343 62.685 0.291 5.24 2 79.0 63.8
135 1 2 2 31.353 62.706 0.291 5.23 2 15.8 2.6
136 4 -3 1 31.408 62.816 0.291 5.21 2 28.8 8.4
137 4 1 0 31.455 62.909 0.292 5.2 2 64.1 41.7
138 -4 -1 1 31.645 63.29 0.293 5.13 2 24.6 6.1
139 2 3 1 31.687 63.375 0.294 5.11 2 32.2 10.4
140 2 1 2 32.113 64.227 0.297 4.97 2 11.9 1.4
141 -2 -3 2 32.382 64.764 0.299 4.88 2 45.4 19.7
142 -2 -4 1 32.518 65.035 0.3 4.84 2 17.3 2.8
143 2 -4 2 32.527 65.055 0.301 4.83 2 11.8 1.3
144 1 4 1 32.588 65.175 0.301 4.81 2 11.8 1.3
145 0 3 2 32.71 65.419 0.302 4.77 2 43.0 17.2
146 2 4 0 32.725 65.449 0.302 4.77 2 54.3 27.4
147 3 -2 2 32.746 65.491 0.302 4.76 2 73.7 50.5
148 -3 -3 1 32.863 65.727 0.303 4.73 2 24.6 5.6
149 3 -5 1 32.871 65.742 0.303 4.72 2 1.6 0.0
150 3 2 1 32.893 65.786 0.304 4.72 2 8.8 0.7
151 4 0 1 32.994 65.988 0.304 4.69 2 67.9 42.1
152 -2 5 1 33.046 66.091 0.305 4.67 2 17.5 2.8
153 3 3 0 33.09 66.181 0.305 4.66 2 60.2 32.9
154 3 -1 2 33.183 66.365 0.306 4.63 2 29.0 7.6
155 -1 -4 2 33.335 66.671 0.307 4.59 2 11.0 1.1
156 -3 3 2 33.38 66.76 0.308 4.57 2 13.0 1.5
157 -4 4 1 33.386 66.772 0.308 4.57 2 12.6 1.4
158 -1 5 1 33.403 66.807 0.308 4.57 2 56.9 28.8
159 -3 -2 2 33.512 67.024 0.309 4.53 2 2.0 0.0
160 4 -4 1 33.553 67.106 0.309 4.52 2 3.1 0.1
161 3 -3 2 33.631 67.261 0.31 4.5 2 0.5 0.0
162 -1 -5 1 34.243 68.487 0.315 4.33 2 39.0 12.9
163 -5 2 0 34.254 68.508 0.315 4.33 2 2.5 0.1
164 -4 1 2 34.295 68.59 0.315 4.32 2 68.1 39.1
165 1 5 0 34.424 68.849 0.316 4.29 2 24.7 5.1
166 -3 5 1 34.463 68.927 0.316 4.28 2 10.2 0.9
167 -4 0 2 34.828 69.656 0.319 4.19 2 21.5 3.8
168 -5 1 0 34.848 69.695 0.319 4.18 2 18.7 2.9
169 -4 5 0 34.891 69.783 0.32 4.17 2 34.4 9.6
170 3 0 2 34.917 69.834 0.32 4.16 2 39.0 12.4
171 -5 3 0 34.955 69.911 0.32 4.16 2 35.2 10.0
172 -4 2 2 35.056 70.111 0.321 4.13 2 8.8 0.6
173 -4 -2 1 35.25 70.501 0.323 4.09 2 53.6 22.9
174 -5 2 1 35.261 70.522 0.323 4.08 2 53.7 23.0
175 -5 1 1 35.429 70.857 0.324 4.04 2 20.2 3.2
176 4 2 0 35.49 70.98 0.325 4.03 2 32.4 8.2
177 0 5 1 35.511 71.021 0.325 4.03 2 47.9 18.0
178 1 -5 2 35.533 71.065 0.325 4.02 2 28.3 6.3
179 -2 6 0 35.548 71.096 0.325 4.02 2 25.3 5.0
180 0 -1 3 35.651 71.301 0.326 4.0 2 39.3 12.0
181 -1 -1 3 35.7 71.4 0.326 3.98 2 11.8 1.1
182 -2 4 2 35.774 71.549 0.327 3.97 2 30.4 7.2
183 3 -4 2 35.789 71.579 0.327 3.96 2 11.7 1.1
184 -1 0 3 35.815 71.631 0.327 3.96 2 29.3 6.6
185 2 2 2 35.949 71.897 0.328 3.93 2 67.7 35.1
186 -1 6 0 35.956 71.911 0.328 3.93 2 42.3 13.7
187 1 3 2 36.007 72.014 0.329 3.92 2 58.2 25.9
188 -1 4 2 36.058 72.116 0.329 3.91 2 40.7 12.6
189 4 1 1 36.096 72.192 0.329 3.9 2 48.6 18.0
190 1 -6 1 36.235 72.47 0.33 3.87 2 6.9 0.4
191 0 0 3 36.265 72.529 0.331 3.86 2 7.1 0.4
192 2 -6 1 36.265 72.53 0.331 3.86 2 0.3 0.0
193 0 -5 2 36.29 72.58 0.331 3.86 2 35.0 9.2
194 0 -2 3 36.309 72.619 0.331 3.85 2 6.6 0.3
195 -5 3 1 36.369 72.738 0.331 3.84 2 12.7 1.2
196 2 -5 2 36.498 72.996 0.332 3.82 2 44.0 14.4
197 -4 -1 2 36.63 73.26 0.334 3.79 2 33.3 8.2
198 5 0 0 36.708 73.415 0.334 3.78 2 30.1 6.7
199 -1 -2 3 36.853 73.706 0.335 3.75 2 59.8 26.1
200 -3 6 0 36.861 73.722 0.335 3.75 2 4.0 0.1
201 -5 0 1 36.865 73.73 0.335 3.75 2 1.4 0.0
202 4 -5 1 36.901 73.801 0.336 3.74 2 25.2 4.6
203 -5 4 0 36.918 73.837 0.336 3.74 2 14.7 1.6
204 -4 3 2 37.075 74.15 0.337 3.71 2 29.6 6.4
205 -2 -4 2 37.075 74.151 0.337 3.71 2 84.0 51.0
206 -2 0 3 37.082 74.164 0.337 3.7 2 28.6 5.9
207 -1 1 3 37.195 74.391 0.338 3.68 2 4.8 0.2
208 -3 4 2 37.205 74.411 0.338 3.68 2 28.6 5.9
209 1 -1 3 37.315 74.63 0.339 3.66 2 0.0 0.0
210 -3 -3 2 37.382 74.763 0.339 3.65 2 66.9 31.9
211 -2 -1 3 37.46 74.92 0.34 3.64 2 44.1 13.8
212 1 -2 3 37.473 74.946 0.34 3.63 2 7.9 0.4
213 -4 5 1 37.563 75.127 0.341 3.62 2 41.4 12.1
214 2 4 1 37.66 75.319 0.342 3.6 2 18.1 2.3
215 3 1 2 37.869 75.738 0.343 3.57 2 1.6 0.0
216 0 -6 1 37.908 75.815 0.343 3.56 2 44.6 13.8
217 5 -2 1 37.945 75.891 0.344 3.55 2 23.4 3.8
218 -2 1 3 37.957 75.915 0.344 3.55 2 27.5 5.2
219 3 -6 1 37.997 75.994 0.344 3.54 2 55.9 21.6
220 3 3 1 38.024 76.047 0.344 3.54 2 16.8 2.0
221 0 4 2 38.042 76.083 0.344 3.54 2 5.0 0.2
222 0 6 0 38.062 76.123 0.345 3.53 2 7.2 0.4
223 0 1 3 38.127 76.254 0.345 3.52 2 43.6 13.1
224 5 -3 1 38.212 76.425 0.346 3.51 2 40.2 11.0
225 0 -3 3 38.215 76.43 0.346 3.51 2 25.6 4.5
226 1 0 3 38.406 76.812 0.347 3.48 2 43.1 12.6
227 -3 -4 1 38.425 76.851 0.347 3.48 2 41.7 11.8
228 4 -2 2 38.68 77.359 0.349 3.44 2 19.8 2.6
229 -5 4 1 38.71 77.42 0.35 3.43 2 35.7 8.5
230 -1 -5 2 38.731 77.462 0.35 3.43 2 19.8 2.6
231 -2 -5 1 38.858 77.715 0.351 3.41 2 8.3 0.5
232 1 -3 3 38.875 77.75 0.351 3.41 2 56.2 21.0
233 5 -1 1 38.921 77.843 0.351 3.4 2 26.2 4.6
234 4 -3 2 39.025 78.049 0.352 3.39 2 25.7 4.4
235 3 4 0 39.043 78.087 0.352 3.38 2 20.9 2.9
236 -2 -2 3 39.078 78.157 0.352 3.38 2 34.5 7.9
237 3 -5 2 39.137 78.274 0.353 3.37 2 36.4 8.7
238 -1 -3 3 39.234 78.467 0.354 3.36 2 28.1 5.2
239 1 5 1 39.248 78.496 0.354 3.35 2 40.1 10.5
240 2 5 0 39.454 78.908 0.355 3.33 2 14.3 1.3
241 -2 6 1 39.458 78.915 0.355 3.33 2 14.4 1.3
242 -5 -1 1 39.518 79.036 0.356 3.32 2 39.7 10.2
243 4 -1 2 39.571 79.142 0.356 3.31 2 36.6 8.6
244 -4 -2 2 39.635 79.27 0.357 3.3 2 9.1 0.5
245 5 -4 1 39.715 79.43 0.357 3.29 2 55.7 19.9
246 5 1 0 39.768 79.536 0.358 3.28 2 13.0 1.1
247 -1 2 3 39.792 79.585 0.358 3.28 2 10.2 0.7
248 -4 6 0 39.831 79.661 0.358 3.28 2 48.9 15.3
249 -4 -3 1 39.935 79.87 0.359 3.26 2 3.1 0.1
250 -3 0 3 40.005 80.01 0.359 3.25 2 24.2 3.7
251 -2 2 3 40.059 80.118 0.36 3.25 2 53.7 18.3
252 -5 5 0 40.076 80.152 0.36 3.25 2 101.4 65.1
253 -1 6 1 40.273 80.545 0.361 3.22 2 33.1 6.9
254 -4 4 2 40.286 80.572 0.361 3.22 2 39.6 9.9
255 2 -2 3 40.293 80.586 0.362 3.22 2 51.6 16.7
256 -3 6 1 40.307 80.614 0.362 3.22 2 49.9 15.6
257 4 2 1 40.324 80.649 0.362 3.21 2 32.0 6.4
258 -3 1 3 40.382 80.765 0.362 3.21 2 54.4 18.5
259 4 3 0 40.566 81.132 0.364 3.19 2 26.8 4.5
260 -5 1 2 40.59 81.18 0.364 3.18 2 2.3 0.0
261 4 -4 2 40.597 81.195 0.364 3.18 2 25.2 3.9
262 2 -1 3 40.619 81.237 0.364 3.18 2 5.8 0.2
263 1 1 3 40.715 81.431 0.365 3.17 2 3.0 0.1
264 -5 2 2 40.83 81.661 0.365 3.16 2 12.3 0.9
265 2 3 2 40.848 81.697 0.366 3.15 2 26.5 4.3
266 -3 -1 3 40.854 81.708 0.366 3.15 2 29.9 5.5
267 1 -6 2 41.08 82.159 0.367 3.13 2 35.6 7.8
268 5 0 1 41.115 82.231 0.368 3.13 2 37.4 8.5
269 0 2 3 41.185 82.369 0.368 3.12 2 0.5 0.0
270 2 -3 3 41.192 82.383 0.368 3.12 2 59.3 21.4
271 -2 5 2 41.211 82.422 0.368 3.12 2 41.5 10.5
272 -1 -6 1 41.215 82.43 0.368 3.12 2 1.4 0.0
273 0 -4 3 41.314 82.628 0.369 3.1 2 5.0 0.2
274 4 -6 1 41.361 82.722 0.369 3.1 2 5.1 0.2
275 1 -4 3 41.485 82.97 0.37 3.09 2 21.7 2.8
276 2 -6 2 41.528 83.055 0.371 3.08 2 7.4 0.3
277 -5 0 2 41.571 83.142 0.371 3.08 2 31.7 6.0
278 1 4 2 41.647 83.294 0.371 3.07 2 2.2 0.0
279 4 0 2 41.679 83.358 0.372 3.07 2 11.0 0.7
280 1 6 0 41.784 83.568 0.372 3.06 2 48.9 14.3
281 -2 -3 3 41.898 83.797 0.373 3.05 2 36.7 8.0
282 -1 5 2 41.96 83.919 0.374 3.04 2 3.5 0.1
283 3 2 2 41.965 83.931 0.374 3.04 2 8.8 0.5
284 -3 2 3 41.978 83.957 0.374 3.04 2 54.4 17.6
285 -3 5 2 42.111 84.223 0.375 3.03 2 15.4 1.4
286 2 0 3 42.162 84.324 0.375 3.02 2 3.0 0.1
287 -5 5 1 42.227 84.455 0.376 3.02 2 8.3 0.4
288 0 -6 2 42.281 84.562 0.376 3.01 2 8.0 0.4
289 -5 3 2 42.289 84.578 0.376 3.01 2 13.5 1.1
290 -3 -4 2 42.331 84.662 0.376 3.01 2 36.4 7.8
291 5 -5 1 42.42 84.841 0.377 3.0 2 4.8 0.1
292 -6 2 0 42.561 85.122 0.378 2.99 2 18.2 1.9
293 -2 7 0 42.632 85.264 0.379 2.98 2 4.0 0.1
294 0 6 1 42.731 85.462 0.379 2.98 2 70.3 28.7
295 -6 3 0 42.743 85.487 0.379 2.97 2 10.9 0.7
296 -2 -5 2 42.773 85.547 0.38 2.97 2 0.8 0.0
297 -1 -4 3 42.79 85.58 0.38 2.97 2 1.6 0.0
298 -4 6 1 42.799 85.599 0.38 2.97 2 47.5 13.1
299 -3 -2 3 42.914 85.829 0.381 2.96 2 12.3 0.9
300 2 -7 1 42.918 85.836 0.381 2.96 2 30.4 5.3
301 -6 2 1 43.09 86.18 0.382 2.95 2 4.8 0.1
302 2 -4 3 43.3 86.6 0.383 2.93 2 61.6 21.7
303 -5 -2 1 43.338 86.677 0.384 2.93 2 3.1 0.1
304 -2 3 3 43.348 86.696 0.384 2.93 2 43.0 10.6
305 1 -7 1 43.364 86.728 0.384 2.93 2 25.7 3.8
306 4 -5 2 43.37 86.741 0.384 2.93 2 26.4 4.0
307 -3 7 0 43.411 86.823 0.384 2.92 2 7.8 0.3
308 -1 7 0 43.494 86.989 0.385 2.92 2 40.3 9.2
309 -1 3 3 43.56 87.119 0.385 2.91 2 16.1 1.5
310 -6 1 0 43.592 87.183 0.385 2.91 2 32.0 5.8
311 3 -6 2 43.618 87.235 0.386 2.91 2 12.7 0.9
312 -6 3 1 43.669 87.338 0.386 2.91 2 49.3 13.8
313 -6 1 1 43.723 87.446 0.386 2.9 2 36.6 7.6
314 -5 -1 2 43.761 87.521 0.387 2.9 2 8.0 0.4
315 -4 -3 2 43.793 87.587 0.387 2.9 2 0.3 0.0
316 5 2 0 43.981 87.962 0.388 2.89 2 67.5 25.7
317 3 -7 1 44.113 88.225 0.389 2.88 2 3.9 0.1
318 -6 4 0 44.137 88.274 0.389 2.88 2 18.4 1.9
319 3 4 1 44.144 88.289 0.389 2.88 2 31.7 5.6
320 1 2 3 44.208 88.417 0.39 2.87 2 43.8 10.7
321 0 5 2 44.346 88.693 0.391 2.86 2 7.8 0.3
322 -5 6 0 44.385 88.77 0.391 2.86 2 20.6 2.4
323 -4 1 3 44.414 88.829 0.391 2.86 2 33.0 6.1
324 5 1 1 44.498 88.995 0.392 2.85 2 60.0 20.0
325 -4 0 3 44.516 89.032 0.392 2.85 2 11.0 0.7
326 2 5 1 44.528 89.055 0.392 2.85 2 51.7 14.9
327 -4 5 2 44.648 89.297 0.393 2.85 2 10.9 0.7
328 3 -2 3 44.707 89.414 0.393 2.84 2 29.3 4.7
329 -3 3 3 44.776 89.551 0.394 2.84 2 44.0 10.7
330 2 1 3 44.908 89.816 0.395 2.83 2 27.4 4.1
331 -5 4 2 44.951 89.901 0.395 2.83 2 20.0 2.2
332 -3 -5 1 44.953 89.905 0.395 2.83 2 54.6 16.4
333 4 1 2 44.979 89.958 0.395 2.83 2 4.7 0.1
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 0 1 0 5.898 11.795 8.7051 612.0 36.8 36.8 5.6
2 1 0 0 6.866 13.732 7.4821 142.4 8.6 8.6 5.6
3 -1 1 0 7.398 14.796 6.94667 1664.3 100.0 100.0 5.6
4 1 1 0 10.485 20.971 4.91498 386.8 23.2 23.1 5.6
5 -1 2 0 11.534 23.069 4.47325 101.6 6.1 6.1 5.6
6 0 2 0 11.859 23.718 4.35255 53.3 3.2 3.2 5.6
7 0 -1 1 11.9 23.8 4.33773 129.9 7.8 7.8 5.6
8 -1 0 1 12.374 24.747 4.17414 83.7 5.0 5.0 5.6
9 -2 1 0 13.076 26.151 3.95362 98.5 5.9 5.9 5.6
10 -1 1 1 13.579 27.157 3.80982 174.8 10.5 10.4 5.6
11 1 -1 1 13.663 27.325 3.78684 158.0 9.5 9.4 5.6
12 0 1 1 13.732 27.464 3.76808 168.2 10.1 10.0 5.6
13 -1 -1 1 13.915 27.83 3.71943 22.8 1.4 1.4 5.6
14 1 0 1 14.229 28.458 3.63898 115.0 6.9 6.8 5.6
15 0 -2 1 15.033 30.067 3.44841 24.1 1.4 1.4 5.6
16 1 -2 1 15.596 31.192 3.32697 20.0 1.2 1.2 5.6
17 1 2 0 15.682 31.364 3.30913 17.1 1.0 1.0 5.6
18 -2 1 1 16.69 33.379 3.11458 33.1 2.0 2.0 5.7
19 -1 3 0 16.899 33.799 3.077 68.1 4.1 4.0 5.7
20 1 1 1 17.069 34.139 3.04726 226.8 13.6 13.4 5.7
21 -1 -2 1 17.544 35.087 2.96737 344.1 20.7 20.4 5.7
22 0 3 0 17.954 35.908 2.9017 44.6 2.7 2.6 5.7
23 2 -1 1 18.209 36.418 2.86243 29.8 1.8 1.8 5.7
24 -2 -1 1 18.599 37.198 2.80442 153.4 9.2 9.1 5.7
25 -2 2 1 18.863 37.725 2.76665 188.0 11.3 11.1 5.7
26 2 -2 1 18.988 37.976 2.74906 118.2 7.1 7.0 5.7
27 1 -3 1 19.359 38.719 2.69829 68.6 4.1 4.0 5.7
28 2 0 1 19.419 38.838 2.69029 32.4 1.9 1.9 5.7
29 0 -3 1 19.657 39.314 2.65904 100.2 6.0 5.9 5.7
30 -3 1 0 19.767 39.533 2.64486 38.3 2.3 2.3 5.7
31 -3 2 0 20.377 40.753 2.5689 30.0 1.8 1.8 5.7
32 3 0 0 21.017 42.033 2.49403 79.9 4.8 4.7 5.7
33 1 2 1 21.39 42.78 2.45249 150.6 9.0 8.8 5.7
34 2 -3 1 21.574 43.147 2.43261 71.5 4.3 4.2 5.7
35 -1 3 1 21.713 43.426 2.41771 21.3 1.3 1.2 5.7
36 -3 1 1 21.841 43.683 2.40421 90.7 5.5 5.3 5.7
37 2 1 1 22.346 44.692 2.3526 65.7 3.9 3.8 5.7
38 -3 0 1 22.444 44.887 2.34291 22.9 1.4 1.3 5.7
39 -2 3 1 22.6 45.201 2.3275 51.9 3.1 3.0 5.7
40 -1 4 0 22.797 45.595 2.30843 79.0 4.7 4.6 5.7
41 -3 2 1 22.962 45.923 2.2928 73.5 4.4 4.3 5.7
42 0 0 2 23.225 46.45 2.26823 21.3 1.3 1.2 5.7
43 -2 4 0 23.573 47.146 2.23663 18.0 1.1 1.1 5.7
44 3 -2 1 24.2 48.399 2.18205 72.9 4.4 4.3 5.7
45 1 -4 1 24.244 48.487 2.17833 76.8 4.6 4.5 5.7
46 -1 1 2 24.458 48.916 2.16041 23.4 1.4 1.4 5.7
47 1 -1 2 24.56 49.119 2.15201 21.6 1.3 1.3 5.7
48 0 -4 1 25.115 50.23 2.10741 33.9 2.0 2.0 5.8
49 2 -4 1 25.523 51.046 2.07593 42.9 2.6 2.5 5.8
50 -3 3 1 25.628 51.257 2.06796 52.5 3.2 3.1 5.8
51 3 -3 1 25.776 51.552 2.05692 36.4 2.2 2.1 5.8
52 2 2 1 26.542 53.084 2.00167 28.0 1.7 1.6 5.8
53 1 3 1 26.636 53.272 1.99514 20.0 1.2 1.2 5.8
54 -2 -3 1 26.953 53.905 1.97341 24.3 1.5 1.4 5.8
55 -4 1 0 27.002 54.005 1.97006 30.4 1.8 1.8 5.8
56 -1 2 2 27.179 54.359 1.95819 37.3 2.2 2.2 5.8
57 1 1 2 27.761 55.522 1.92034 82.0 4.9 4.7 5.8
58 -1 -4 1 27.991 55.981 1.90584 18.1 1.1 1.0 5.8
59 2 -1 2 28.101 56.201 1.89898 38.1 2.3 2.2 5.8
60 -4 1 1 28.174 56.349 1.89441 24.3 1.5 1.4 5.8
61 0 2 2 28.344 56.687 1.88404 18.7 1.1 1.1 5.8
62 3 1 1 28.762 57.524 1.85891 54.3 3.3 3.1 5.8
63 -1 -3 2 28.906 57.811 1.85048 25.7 1.5 1.5 5.8
64 -4 0 1 29.236 58.472 1.83138 53.6 3.2 3.1 5.8
65 -3 0 2 29.376 58.752 1.82341 71.8 4.3 4.1 5.8
66 2 -3 2 29.707 59.414 1.80492 38.7 2.3 2.2 5.8
67 1 -5 1 29.897 59.794 1.79451 34.2 2.1 2.0 5.8
68 -3 2 2 30.716 61.432 1.75115 25.7 1.5 1.5 5.8
69 0 5 0 30.914 61.829 1.74102 47.5 2.9 2.7 5.8
70 1 -4 2 30.972 61.944 1.73811 138.6 8.3 7.9 5.8
71 -2 3 2 31.343 62.685 1.71961 66.4 4.0 3.8 5.8
72 4 1 0 31.455 62.909 1.7141 41.7 2.5 2.4 5.9
73 -2 -3 2 32.382 64.764 1.67013 19.7 1.2 1.1 5.9
74 3 -2 2 32.746 65.491 1.65362 95.1 5.7 5.4 5.9
75 4 0 1 32.994 65.988 1.64256 42.1 2.5 2.4 5.9
76 3 3 0 33.09 66.181 1.63833 32.9 2.0 1.9 5.9
77 -1 5 1 33.403 66.807 1.62472 31.7 1.9 1.8 5.9
78 -4 1 2 34.295 68.59 1.58746 39.1 2.4 2.2 5.9
79 3 0 2 34.917 69.834 1.56268 22.0 1.3 1.2 5.9
80 -5 2 1 35.261 70.522 1.54939 45.9 2.8 2.6 5.9
81 0 5 1 35.511 71.021 1.5399 37.5 2.3 2.1 5.9
82 2 2 2 35.949 71.897 1.52363 48.8 2.9 2.8 5.9
83 1 3 2 36.007 72.014 1.52148 25.9 1.6 1.5 5.9
84 4 1 1 36.096 72.192 1.51824 18.0 1.1 1.0 5.9
85 -1 -2 3 36.853 73.706 1.49135 26.2 1.6 1.5 6.0
86 -2 -4 2 37.075 74.151 1.48368 63.3 3.8 3.5 6.0
87 -3 -3 2 37.382 74.763 1.47328 31.9 1.9 1.8 6.0
88 3 -6 1 37.997 75.994 1.45294 23.6 1.4 1.3 6.0
89 1 0 3 38.406 76.812 1.43982 24.4 1.5 1.4 6.0
90 1 -3 3 38.875 77.75 1.42515 21.0 1.3 1.2 6.0
91 5 -4 1 39.715 79.43 1.39985 19.9 1.2 1.1 6.0
92 -5 5 0 40.076 80.152 1.38933 83.4 5.0 4.6 6.0
93 2 -2 3 40.293 80.586 1.38312 55.5 3.3 3.1 6.1
94 -3 1 3 40.382 80.765 1.38058 18.5 1.1 1.0 6.1
95 2 -3 3 41.192 82.383 1.35816 31.9 1.9 1.8 6.1
96 -3 2 3 41.978 83.957 1.33731 17.6 1.1 1.0 6.1
97 0 6 1 42.731 85.462 1.31818 29.4 1.8 1.6 6.1
98 2 -4 3 43.3 86.6 1.30422 21.7 1.3 1.2 6.1
99 -2 3 3 43.348 86.696 1.30306 18.3 1.1 1.0 6.1
100 5 2 0 43.981 87.962 1.28807 25.7 1.5 1.4 6.2
101 5 1 1 44.498 88.995 1.2762 35.6 2.1 1.9 6.2
102 -3 -5 1 44.953 89.905 1.266 18.8 1.1 1.0 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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