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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ANDREMEYERITE
1, f-rankinite
BaFe(Fe,Mn,Mg)Si(2)O(7)
Monoclinic P 2(1)/c Z = 4
P2(1)/c
19 .1 .1989
Ref.Str.:
Cannillo Elio, Mazzi Fiorenzo, Rossi Giuseppe (1988)
* Amer. Mineral., V73, 608-612
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.464 alpha = 90.0
b = 13.794 beta = 118.25
c = 7.093 gamma = 90.0
Unit cell volume (cub. angs.) = 643.3
Molar volume ( cub.cm/mol.) = 96.87
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4893 0.1434 0.294 0.96 Ba = 1.00
2 0.9976 0.2439 0.3058 0.78 Fe = 1.00
3 0.962 0.5016 0.2115 0.86 Fe = 0.92, Mg = 0.08
4 0.2765 0.3908 0.2023 0.75 Si = 1.00
5 0.7241 0.3833 0.3877 0.65 Si = 1.00
6 0.2262 0.5001 0.1055 1.04 O = 1.00
7 0.7251 0.4833 0.2737 1.39 O = 1.00
8 0.2573 0.3118 0.0249 1.17 O = 1.00
9 0.727 0.2903 0.2481 1.34 O = 1.00
10 0.1229 0.3714 0.3016 1.21 O = 1.00
11 0.909 0.3763 0.629 1.24 O = 1.00
12 0.5104 0.3784 0.4021 0.76 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4893 0.1434 0.294
2 2 0.9976 0.2439 0.3058
3 3 0.962 0.5016 0.2115
4 4 0.2765 0.3908 0.2023
5 5 0.7241 0.3833 0.3877
6 6 0.2262 0.5001 0.1055
7 7 0.7251 0.4833 0.2737
8 8 0.2573 0.3118 0.0249
9 9 0.727 0.2903 0.2481
10 10 0.1229 0.3714 0.3016
11 11 0.909 0.3763 0.629
12 12 0.5104 0.3784 0.4021
13 1 0.5107 0.6434 0.206
14 2 0.0024 0.7439 0.1942
15 3 0.038 0.0016 0.2885
16 4 0.7235 0.8908 0.2977
17 5 0.2759 0.8833 0.1123
18 6 0.7738 0.0001 0.3945
19 7 0.2749 0.9833 0.2263
20 8 0.7427 0.8118 0.4751
21 9 0.273 0.7903 0.2519
22 10 0.8771 0.8714 0.1984
23 11 0.091 0.8763 0.871
24 12 0.4896 0.8784 0.0979
25 1 0.4893 0.3566 0.794
26 2 0.9976 0.2561 0.8058
27 3 0.962 0.9984 0.7115
28 4 0.2765 0.1092 0.7023
29 5 0.7241 0.1167 0.8877
30 6 0.2262 0.0 0.6055
31 7 0.7251 0.0167 0.7737
32 8 0.2573 0.1882 0.5249
33 9 0.727 0.2097 0.7481
34 10 0.1229 0.1286 0.8016
35 11 0.909 0.1237 0.129
36 12 0.5104 0.1216 0.9021
37 1 0.5107 0.8566 0.706
38 2 0.0024 0.7561 0.6942
39 3 0.038 0.4984 0.7885
40 4 0.7235 0.6092 0.7977
41 5 0.2759 0.6167 0.6123
42 6 0.7738 0.4999 0.8945
43 7 0.2749 0.5167 0.7263
44 8 0.7427 0.6882 0.9751
45 9 0.273 0.7097 0.7519
46 10 0.8771 0.6286 0.6984
47 11 0.091 0.6237 0.371
48 12 0.4896 0.6216 0.5979
X-ray density (g/cm cub.) = 4.28
MU (1/cm) = 790.647 Mass attenuation coefficient (cm**2/g) = 184.723
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.288 8
2.9848 8
2.8119 9
2.7371 6
2.6346 7
2.9576 8
2.9915 9
3.2676 10
2.8734 12
2 Fe 2.592 4
1.9683 9
1.9988 10
1.9777 8
1.9935 11
3 Fe ,Mg 2.592 5
2.4203 6
2.0306 7
2.0856 10
2.0099 6
2.0031 11
4 Si 2.1 4
1.6253 6
1.6188 8
1.6268 10
1.6563 12
5 Si 2.1 4
1.6007 7
1.6269 9
1.6147 11
1.6472 12
6 O 3.264 6
2.6931 8
2.5877 10
2.7421 12
2.9763 6
2.8887 7
3.0448 11
7 O 3.264 5
2.6689 9
2.6719 11
2.6216 12
2.8887 6
3.1467 11
8 O 3.264 6
2.6931 6
3.1034 9
2.7199 10
2.9197 11
2.6051 12
2.8977 10
9 O 3.264 7
2.6689 7
3.1034 8
3.011 10
2.6604 11
2.6373 12
2.9877 11
3.2087 12
10 O 3.264 5
2.5877 6
2.7199 8
3.011 9
2.6327 12
2.8977 8
11 O 3.264 7
2.6719 7
2.9197 8
2.6604 9
2.6287 12
2.9877 9
3.0448 6
3.1467 7
12 O 3.264 7
2.7421 6
2.6216 7
2.6051 8
2.6373 9
2.6327 10
2.6287 11
3.2087 9
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 2 0 7.452 14.903 0.072 115.96 2 24.7 34.2
2 1 0 0 7.819 15.638 0.076 105.12 2 26.8 36.4
3 1 1 0 8.668 17.335 0.084 85.12 4 6.2 3.2
4 0 1 1 9.042 18.084 0.088 78.05 4 33.0 82.4
5 1 1 -1 9.055 18.11 0.088 77.81 4 17.4 22.8
6 1 2 0 10.833 21.667 0.105 53.71 4 39.7 82.0
7 0 2 1 11.138 22.275 0.108 50.71 4 76.0 283.2
8 1 2 -1 11.148 22.297 0.108 50.6 4 70.7 244.4
9 1 3 0 13.732 27.464 0.133 32.65 4 11.5 4.2
10 0 3 1 13.977 27.954 0.135 31.45 4 9.0 2.5
11 1 3 -1 13.986 27.971 0.135 31.41 4 42.0 53.5
12 1 1 1 14.376 28.751 0.139 29.62 4 6.0 1.0
13 2 1 -1 14.401 28.802 0.139 29.51 4 37.6 40.3
14 1 0 -2 14.608 29.217 0.141 28.62 2 78.6 85.6
15 0 4 0 15.033 30.066 0.145 26.92 2 96.4 120.9
16 1 1 -2 15.095 30.189 0.146 26.68 4 42.0 45.4
17 2 0 0 15.788 31.576 0.152 24.23 2 202.3 479.1
18 1 2 1 15.813 31.626 0.152 24.14 4 210.2 1030.7
19 2 2 -1 15.836 31.673 0.153 24.07 4 237.7 1314.9
20 2 1 0 16.242 32.485 0.156 22.79 4 11.5 2.9
21 1 2 -2 16.475 32.95 0.159 22.1 4 10.8 2.5
22 0 0 2 16.637 33.275 0.16 21.63 2 350.3 1282.7
23 2 0 -2 16.667 33.334 0.16 21.55 2 291.6 885.3
24 1 4 0 17.031 34.062 0.164 20.56 4 321.1 2048.5
25 0 1 2 17.071 34.143 0.164 20.45 4 144.8 414.7
26 2 1 -2 17.1 34.201 0.164 20.38 4 137.2 370.7
27 0 4 1 17.233 34.466 0.166 20.04 4 91.8 163.2
28 1 4 -1 17.24 34.481 0.166 20.02 4 62.6 75.9
29 2 2 0 17.542 35.084 0.168 19.27 4 72.2 97.1
30 1 3 1 17.979 35.959 0.173 18.26 4 84.6 126.4
31 2 3 -1 18.0 36.0 0.173 18.22 4 95.3 160.0
32 0 2 2 18.319 36.639 0.176 17.53 4 12.2 2.5
33 2 2 -2 18.347 36.693 0.176 17.47 4 34.3 19.9
34 1 3 -2 18.573 37.146 0.178 17.01 4 183.1 551.1
35 2 3 0 19.54 39.081 0.187 15.2 4 7.2 0.8
36 0 3 2 20.252 40.504 0.193 14.04 4 14.6 2.9
37 2 3 -2 20.277 40.554 0.194 14.0 4 8.1 0.9
38 1 5 0 20.586 41.171 0.197 13.54 4 31.5 12.9
39 1 4 1 20.68 41.36 0.197 13.4 4 80.1 83.2
40 2 4 -1 20.698 41.397 0.198 13.37 4 75.1 72.9
41 0 5 1 20.758 41.516 0.198 13.29 4 91.1 106.6
42 1 5 -1 20.764 41.528 0.198 13.28 4 34.0 14.8
43 1 4 -2 21.21 42.419 0.202 12.66 4 241.8 715.6
44 2 1 1 21.607 43.214 0.206 12.15 4 5.1 0.3
45 3 1 -1 21.637 43.273 0.206 12.11 4 56.2 36.9
46 1 0 2 21.753 43.507 0.207 11.96 2 44.1 11.2
47 3 0 -2 21.801 43.601 0.208 11.9 2 134.5 104.1
48 2 4 0 22.08 44.16 0.21 11.57 4 22.2 5.5
49 1 1 2 22.101 44.202 0.21 11.54 4 42.8 20.4
50 3 1 -2 22.148 44.296 0.211 11.49 4 78.6 68.5
51 2 2 1 22.643 45.285 0.215 10.93 4 240.8 612.3
52 3 2 -1 22.671 45.343 0.215 10.9 4 184.2 357.3
53 0 4 2 22.726 45.453 0.216 10.84 4 16.1 2.7
54 2 4 -2 22.749 45.498 0.216 10.81 4 38.3 15.3
55 0 6 0 22.896 45.793 0.217 10.66 2 121.4 75.9
56 1 1 -3 22.934 45.869 0.218 10.62 4 59.7 36.5
57 2 1 -3 22.951 45.903 0.218 10.6 4 81.6 68.2
58 1 2 2 23.119 46.239 0.219 10.43 4 55.2 30.8
59 3 2 -2 23.164 46.329 0.22 10.38 4 75.7 57.4
60 1 5 1 23.777 47.554 0.225 9.78 4 87.4 72.3
61 2 5 -1 23.794 47.588 0.226 9.77 4 55.5 29.1
62 1 2 -3 23.925 47.85 0.227 9.65 4 101.3 95.6
63 2 2 -3 23.941 47.883 0.227 9.63 4 88.7 73.2
64 3 0 0 24.087 48.174 0.228 9.5 2 24.5 2.8
65 1 5 -2 24.253 48.506 0.23 9.35 4 185.1 309.7
66 2 3 1 24.292 48.583 0.23 9.32 4 48.9 21.6
67 3 3 -1 24.319 48.638 0.23 9.3 4 7.6 0.5
68 1 6 0 24.341 48.682 0.23 9.28 4 98.6 87.1
69 3 1 0 24.409 48.817 0.231 9.22 4 19.1 3.2
70 0 6 1 24.492 48.984 0.232 9.15 4 67.3 40.0
71 1 6 -1 24.497 48.995 0.232 9.14 4 100.7 89.6
72 1 3 2 24.744 49.488 0.234 8.94 4 46.4 18.6
73 3 3 -2 24.787 49.574 0.234 8.9 4 73.4 46.4
74 2 5 0 25.04 50.081 0.237 8.7 4 18.5 2.9
75 3 2 0 25.355 50.711 0.239 8.45 4 11.9 1.2
76 1 3 -3 25.511 51.021 0.241 8.34 4 111.0 99.2
77 2 3 -3 25.526 51.053 0.241 8.33 4 108.3 94.4
78 0 5 2 25.629 51.258 0.242 8.25 4 49.2 19.3
79 2 5 -2 25.65 51.3 0.242 8.23 4 48.3 18.6
80 0 1 3 25.743 51.486 0.243 8.17 4 96.8 74.0
81 3 1 -3 25.79 51.58 0.243 8.13 4 70.4 39.0
82 2 4 1 26.47 52.939 0.249 7.67 4 71.1 37.5
83 3 4 -1 26.495 52.99 0.249 7.65 4 58.9 25.6
84 0 2 3 26.655 53.311 0.251 7.54 4 104.2 79.2
85 3 2 -3 26.701 53.402 0.251 7.51 4 108.4 85.4
86 3 3 0 26.879 53.759 0.253 7.4 4 9.2 0.6
87 1 4 2 26.895 53.79 0.253 7.39 4 195.7 273.7
88 3 4 -2 26.936 53.871 0.253 7.37 4 175.9 220.2
89 1 6 1 27.191 54.382 0.255 7.21 4 143.8 144.2
90 2 6 -1 27.206 54.412 0.256 7.2 4 96.2 64.5
91 1 4 -3 27.619 55.238 0.259 6.96 4 71.9 34.8
92 1 6 -2 27.624 55.247 0.259 6.96 4 69.6 32.5
93 2 4 -3 27.634 55.268 0.259 6.95 4 43.6 12.7
94 0 3 3 28.13 56.26 0.264 6.68 4 31.4 6.4
95 3 3 -3 28.174 56.348 0.264 6.65 4 127.5 104.5
96 1 7 0 28.285 56.57 0.265 6.59 4 1.6 0.0
97 2 6 0 28.344 56.688 0.265 6.56 4 72.0 32.9
98 0 7 1 28.421 56.842 0.266 6.52 4 25.2 4.0
99 1 7 -1 28.426 56.852 0.266 6.52 4 33.8 7.2
100 2 0 2 28.641 57.282 0.268 6.41 2 149.7 69.5
101 4 0 -2 28.699 57.398 0.268 6.38 2 205.1 129.6
102 0 6 2 28.885 57.771 0.27 6.29 4 74.0 33.2
103 2 6 -2 28.905 57.809 0.27 6.28 4 96.7 56.7
104 3 4 0 28.919 57.837 0.27 6.27 4 249.4 377.0
105 2 1 2 28.926 57.853 0.27 6.27 4 99.5 59.9
106 4 1 -2 28.984 57.968 0.271 6.24 4 147.0 130.4
107 2 5 1 29.099 58.199 0.272 6.18 4 21.3 2.7
108 3 5 -1 29.123 58.247 0.272 6.17 4 12.1 0.9
109 1 5 2 29.499 58.999 0.275 6.0 4 102.3 60.7
110 3 5 -2 29.537 59.075 0.276 5.98 4 145.4 122.1
111 2 2 2 29.772 59.544 0.278 5.87 4 57.8 19.0
112 3 1 1 29.772 59.545 0.278 5.87 4 32.3 5.9
113 4 1 -1 29.806 59.611 0.278 5.86 4 9.9 0.6
114 4 2 -2 29.829 59.658 0.278 5.85 4 0.3 0.0
115 0 4 3 30.114 60.227 0.28 5.72 4 47.2 12.4
116 3 4 -3 30.156 60.312 0.281 5.71 4 3.8 0.1
117 1 5 -3 30.182 60.365 0.281 5.7 4 13.4 1.0
118 2 5 -3 30.196 60.393 0.281 5.69 4 50.5 14.0
119 2 0 -4 30.293 60.586 0.282 5.65 2 109.2 32.6
120 2 1 -4 30.569 61.137 0.284 5.54 4 174.4 162.8
121 3 2 1 30.604 61.208 0.285 5.52 4 116.4 72.4
122 4 2 -1 30.636 61.273 0.285 5.51 4 101.9 55.3
123 1 1 3 30.818 61.636 0.286 5.44 4 21.0 2.3
124 1 7 1 30.883 61.767 0.287 5.41 4 23.4 2.9
125 4 1 -3 30.887 61.775 0.287 5.41 4 91.2 43.5
126 2 7 -1 30.897 61.795 0.287 5.41 4 54.7 15.6
127 2 3 2 31.151 62.301 0.289 5.31 4 23.0 2.7
128 4 3 -2 31.206 62.412 0.29 5.29 4 3.3 0.1
129 0 8 0 31.249 62.497 0.29 5.27 2 308.6 242.7
130 1 7 -2 31.283 62.567 0.29 5.26 4 38.3 7.5
131 2 2 -4 31.388 62.775 0.291 5.22 4 63.2 20.2
132 3 5 0 31.415 62.83 0.291 5.21 4 15.6 1.2
133 1 0 -4 31.478 62.956 0.292 5.19 2 1.0 0.0
134 3 0 -4 31.515 63.029 0.292 5.18 2 73.5 13.5
135 1 2 3 31.633 63.266 0.293 5.13 4 156.1 120.9
136 4 2 -3 31.701 63.403 0.294 5.11 4 129.2 82.5
137 1 1 -4 31.748 63.496 0.294 5.09 4 54.3 14.5
138 3 1 -4 31.784 63.568 0.294 5.08 4 49.6 12.1
139 2 7 0 31.952 63.904 0.296 5.02 4 6.6 0.2
140 3 3 1 31.961 63.922 0.296 5.02 4 56.8 15.7
141 4 3 -1 31.993 63.986 0.296 5.01 4 123.8 74.2
142 2 6 1 32.124 64.248 0.297 4.96 4 110.4 58.4
143 3 6 -1 32.147 64.294 0.297 4.96 4 113.5 61.7
144 1 8 0 32.432 64.863 0.3 4.86 4 33.6 5.3
145 0 7 2 32.457 64.914 0.3 4.85 4 53.0 13.2
146 2 7 -2 32.475 64.95 0.3 4.85 4 42.3 8.4
147 1 6 2 32.502 65.004 0.3 4.84 4 80.5 30.3
148 3 6 -2 32.538 65.076 0.301 4.83 4 53.0 13.1
149 1 2 -4 32.55 65.1 0.301 4.82 4 33.3 5.2
150 0 5 3 32.555 65.11 0.301 4.82 4 26.8 3.3
151 0 8 1 32.557 65.115 0.301 4.82 4 125.4 73.3
152 1 8 -1 32.562 65.124 0.301 4.82 4 143.7 96.2
153 3 2 -4 32.586 65.172 0.301 4.81 4 73.8 25.4
154 3 5 -3 32.595 65.191 0.301 4.81 4 93.7 40.8
155 2 3 -4 32.727 65.453 0.302 4.77 4 22.1 2.3
156 1 3 3 32.967 65.933 0.304 4.69 4 176.6 141.5
157 4 0 0 32.967 65.935 0.304 4.69 2 320.0 232.3
158 2 4 2 33.024 66.049 0.305 4.68 4 14.3 0.9
159 4 3 -3 33.034 66.067 0.305 4.67 4 134.8 82.1
160 4 4 -2 33.078 66.156 0.305 4.66 4 45.0 9.1
161 1 6 -3 33.149 66.298 0.306 4.64 4 70.7 22.4
162 2 6 -3 33.163 66.325 0.306 4.64 4 23.0 2.4
163 4 1 0 33.231 66.461 0.306 4.62 4 43.1 8.3
164 3 4 1 33.811 67.622 0.311 4.45 4 42.9 7.9
165 4 4 -1 33.842 67.683 0.311 4.44 4 63.1 17.1
166 1 3 -4 33.864 67.729 0.311 4.44 4 137.5 81.1
167 3 3 -4 33.9 67.799 0.312 4.43 4 112.7 54.4
168 4 2 0 34.014 68.029 0.313 4.39 4 46.7 9.3
169 3 6 0 34.323 68.646 0.315 4.31 4 113.5 53.7
170 2 4 -4 34.555 69.11 0.317 4.25 4 1.7 0.0
171 1 4 3 34.789 69.578 0.319 4.2 4 11.6 0.5
172 1 8 1 34.851 69.701 0.319 4.18 4 112.6 51.2
173 4 4 -3 34.854 69.708 0.319 4.18 4 19.2 1.5
174 2 8 -1 34.864 69.727 0.32 4.18 4 63.1 16.1
175 0 0 4 34.933 69.867 0.32 4.16 2 87.8 15.5
176 4 0 -4 35.003 70.006 0.321 4.14 2 72.3 10.5
177 0 1 4 35.19 70.379 0.322 4.1 4 139.8 77.5
178 1 8 -2 35.227 70.454 0.322 4.09 4 1.7 0.0
179 4 1 -4 35.259 70.518 0.323 4.08 4 121.8 58.5
180 4 3 0 35.302 70.604 0.323 4.07 4 11.1 0.5
181 2 5 2 35.357 70.715 0.323 4.06 4 15.7 1.0
182 4 5 -2 35.409 70.818 0.324 4.05 4 60.7 14.4
183 0 6 3 35.415 70.83 0.324 4.05 4 82.9 26.9
184 3 6 -3 35.454 70.908 0.324 4.04 4 90.6 32.0
185 2 7 1 35.513 71.025 0.325 4.03 4 26.1 2.7
186 3 7 -1 35.534 71.069 0.325 4.02 4 85.8 28.6
187 1 4 -4 35.665 71.33 0.326 3.99 4 93.5 33.7
188 3 4 -4 35.699 71.398 0.326 3.98 4 76.3 22.4
189 2 8 0 35.858 71.716 0.327 3.95 4 156.7 93.7
190 1 7 2 35.873 71.746 0.328 3.95 4 72.3 20.0
191 3 7 -2 35.907 71.815 0.328 3.94 4 74.6 21.2
192 0 2 4 35.953 71.907 0.328 3.93 4 14.1 0.8
193 4 2 -4 36.022 72.044 0.329 3.91 4 12.2 0.6
194 3 5 1 36.12 72.24 0.33 3.89 4 31.6 3.8
195 4 5 -1 36.15 72.3 0.33 3.89 4 47.1 8.3
196 0 8 2 36.336 72.672 0.331 3.85 4 189.4 133.5
197 2 8 -2 36.353 72.706 0.331 3.85 4 160.4 95.6
198 1 7 -3 36.492 72.983 0.332 3.82 4 91.3 30.8
199 2 7 -3 36.504 73.009 0.333 3.82 4 93.5 32.3
200 1 9 0 36.816 73.631 0.335 3.75 4 14.6 0.8
201 3 0 2 36.819 73.638 0.335 3.75 2 115.6 24.2
202 2 5 -4 36.844 73.687 0.335 3.75 4 70.6 18.1
203 5 0 -2 36.887 73.774 0.336 3.74 2 87.1 13.7
204 0 9 1 36.934 73.869 0.336 3.73 4 15.1 0.8
205 1 9 -1 36.939 73.877 0.336 3.73 4 32.0 3.7
206 3 1 2 37.07 74.14 0.337 3.71 4 5.2 0.1
207 1 5 3 37.071 74.142 0.337 3.71 4 160.7 92.5
208 4 4 0 37.072 74.144 0.337 3.71 4 35.7 4.6
209 4 5 -3 37.135 74.269 0.337 3.69 4 74.3 19.7
210 5 1 -2 37.138 74.276 0.337 3.69 4 37.4 5.0
211 0 3 4 37.212 74.424 0.338 3.68 4 35.2 4.4
212 4 3 -4 37.28 74.559 0.339 3.67 4 66.6 15.7
213 3 7 0 37.619 75.238 0.341 3.61 4 11.3 0.4
214 2 1 3 37.66 75.32 0.342 3.6 4 107.4 40.2
215 5 1 -3 37.748 75.497 0.342 3.59 4 79.6 21.9
216 3 2 2 37.819 75.637 0.343 3.57 4 8.5 0.3
217 5 2 -2 37.886 75.772 0.343 3.56 4 1.4 0.0
218 1 5 -4 37.926 75.851 0.344 3.56 4 195.4 131.2
219 3 5 -4 37.959 75.919 0.344 3.55 4 171.4 100.8
220 2 6 2 38.123 76.245 0.345 3.52 4 85.5 24.9
221 4 6 -2 38.173 76.346 0.345 3.52 4 65.3 14.5
222 2 2 3 38.405 76.809 0.347 3.48 4 118.4 47.1
223 5 2 -3 38.493 76.985 0.348 3.47 4 17.9 1.1
224 0 7 3 38.673 77.347 0.349 3.44 4 101.7 34.4
225 3 7 -3 38.711 77.422 0.35 3.43 4 125.0 51.9
226 3 6 1 38.865 77.729 0.351 3.41 4 101.6 34.0
227 4 6 -1 38.894 77.788 0.351 3.4 4 72.1 17.1
228 4 1 1 38.913 77.825 0.351 3.4 4 53.9 9.6
229 0 4 4 38.949 77.898 0.351 3.4 4 27.3 2.4
230 5 1 -1 38.95 77.9 0.351 3.4 4 63.7 13.3
231 4 4 -4 39.016 78.031 0.352 3.39 4 61.4 12.3
232 3 3 2 39.056 78.111 0.352 3.38 4 82.0 22.0
233 1 9 1 39.116 78.232 0.353 3.37 4 34.6 3.9
234 5 3 -2 39.122 78.245 0.353 3.37 4 113.7 42.2
235 2 9 -1 39.128 78.257 0.353 3.37 4 5.0 0.1
236 2 8 1 39.261 78.521 0.354 3.35 4 58.6 11.1
237 3 8 -1 39.281 78.563 0.354 3.35 4 77.7 19.6
238 4 5 0 39.303 78.607 0.354 3.35 4 33.0 3.5
239 1 9 -2 39.477 78.953 0.355 3.32 4 61.0 12.0
240 2 6 -4 39.571 79.142 0.356 3.31 4 60.8 11.8
241 2 1 -5 39.594 79.189 0.356 3.31 4 95.7 29.3
242 1 8 2 39.609 79.217 0.356 3.31 4 54.8 9.6
243 3 1 -5 39.615 79.23 0.356 3.3 4 41.1 5.4
244 2 3 3 39.636 79.272 0.357 3.3 4 38.8 4.8
245 3 8 -2 39.642 79.284 0.357 3.3 4 95.4 29.1
246 4 2 1 39.65 79.3 0.357 3.3 4 60.7 11.8
247 5 2 -1 39.687 79.375 0.357 3.29 4 15.2 0.7
248 5 3 -3 39.723 79.446 0.357 3.29 4 51.6 8.5
249 1 6 3 39.793 79.587 0.358 3.28 4 139.7 61.9
250 4 6 -3 39.856 79.711 0.358 3.27 4 100.8 32.1
251 2 9 0 40.084 80.167 0.36 3.24 4 6.6 0.1
252 1 8 -3 40.208 80.415 0.361 3.23 4 84.2 22.1
253 2 8 -3 40.22 80.44 0.361 3.23 4 50.4 7.9
254 2 2 -5 40.329 80.657 0.362 3.21 4 11.3 0.4
255 3 2 -5 40.349 80.698 0.362 3.21 4 22.1 1.5
256 1 0 4 40.405 80.81 0.362 3.21 2 34.6 1.9
257 0 10 0 40.424 80.848 0.362 3.2 2 41.0 2.6
258 5 0 -4 40.504 81.008 0.363 3.19 2 35.4 1.9
259 0 9 2 40.545 81.09 0.363 3.19 4 119.2 43.8
260 2 9 -2 40.562 81.123 0.363 3.19 4 91.1 25.6
261 1 6 -4 40.63 81.261 0.364 3.18 4 12.5 0.5
262 1 1 4 40.649 81.298 0.364 3.18 4 9.1 0.3
263 3 6 -4 40.663 81.327 0.364 3.18 4 15.4 0.7
264 5 1 -4 40.748 81.496 0.365 3.17 4 48.1 7.1
265 3 4 2 40.769 81.538 0.365 3.16 4 204.3 127.6
266 5 4 -2 40.835 81.67 0.366 3.16 4 171.6 89.8
267 4 3 1 40.871 81.743 0.366 3.15 4 60.4 11.1
268 5 3 -1 40.908 81.817 0.366 3.15 4 17.6 0.9
269 0 5 4 41.151 82.301 0.368 3.12 4 45.8 6.3
270 4 5 -4 41.216 82.433 0.368 3.12 4 26.4 2.1
271 3 8 0 41.304 82.608 0.369 3.11 4 10.2 0.3
272 2 7 2 41.31 82.62 0.369 3.11 4 15.2 0.7
273 2 4 3 41.344 82.688 0.369 3.1 4 39.2 4.6
274 4 7 -2 41.36 82.719 0.369 3.1 4 31.4 3.0
275 1 2 4 41.379 82.758 0.37 3.1 4 31.6 3.0
276 5 4 -3 41.43 82.86 0.37 3.09 4 36.5 4.0
277 5 2 -4 41.477 82.955 0.37 3.09 4 35.7 3.8
278 1 10 0 41.495 82.991 0.37 3.09 4 101.4 30.7
279 2 3 -5 41.545 83.091 0.371 3.08 4 33.9 3.4
280 3 3 -5 41.566 83.132 0.371 3.08 4 140.5 58.7
281 0 10 1 41.61 83.22 0.371 3.08 4 18.3 1.0
282 1 10 -1 41.614 83.228 0.371 3.07 4 8.1 0.2
283 1 1 -5 41.72 83.439 0.372 3.06 4 53.9 8.6
284 4 1 -5 41.781 83.562 0.372 3.06 4 118.8 41.7
285 4 6 0 41.985 83.971 0.374 3.04 4 55.3 9.0
286 3 7 1 42.038 84.076 0.374 3.03 4 19.6 1.1
287 4 7 -1 42.067 84.134 0.375 3.03 4 21.7 1.4
288 0 8 3 42.335 84.669 0.376 3.01 4 63.0 11.5
289 3 8 -3 42.371 84.743 0.377 3.01 4 35.8 3.7
290 1 2 -5 42.446 84.892 0.377 3.0 4 24.8 1.8
291 4 2 -5 42.508 85.015 0.378 2.99 4 9.4 0.3
292 4 4 1 42.569 85.138 0.378 2.99 4 70.4 14.3
293 1 3 4 42.59 85.18 0.378 2.99 4 42.9 5.3
294 5 4 -1 42.606 85.212 0.378 2.99 4 39.6 4.5
295 5 3 -4 42.688 85.377 0.379 2.98 4 104.8 31.6
296 2 7 -4 42.733 85.466 0.379 2.98 4 83.2 19.9
297 5 0 0 42.859 85.719 0.38 2.96 2 122.5 21.5
298 3 5 2 42.951 85.902 0.381 2.96 4 85.2 20.7
299 1 7 3 42.952 85.904 0.381 2.96 4 68.8 13.5
300 4 7 -3 43.014 86.027 0.381 2.95 4 103.6 30.6
301 5 5 -2 43.017 86.033 0.381 2.95 4 137.9 54.3
302 5 1 0 43.101 86.202 0.382 2.95 4 18.3 1.0
303 2 4 -5 43.239 86.478 0.383 2.94 4 15.4 0.7
304 3 4 -5 43.26 86.519 0.383 2.93 4 7.2 0.1
305 2 9 1 43.394 86.787 0.384 2.92 4 15.5 0.7
306 3 9 -1 43.414 86.828 0.384 2.92 4 6.5 0.1
307 2 5 3 43.521 87.043 0.385 2.92 4 41.0 4.7
308 5 5 -3 43.607 87.214 0.386 2.91 4 36.3 3.7
309 1 3 -5 43.654 87.307 0.386 2.91 4 142.5 57.1
310 4 3 -5 43.715 87.43 0.386 2.9 4 156.1 68.4
311 1 10 1 43.734 87.468 0.386 2.9 4 30.2 2.6
312 1 9 2 43.736 87.471 0.386 2.9 4 18.8 1.0
313 2 10 -1 43.746 87.493 0.387 2.9 4 98.1 27.0
314 3 9 -2 43.768 87.536 0.387 2.9 4 47.7 6.4
315 1 7 -4 43.779 87.558 0.387 2.9 4 26.1 1.9
316 3 7 -4 43.812 87.623 0.387 2.9 4 51.9 7.5
317 0 6 4 43.812 87.624 0.387 2.9 4 60.0 10.1
318 5 2 0 43.825 87.649 0.387 2.9 4 5.1 0.1
319 4 6 -4 43.877 87.754 0.387 2.89 4 64.8 11.7
320 1 10 -2 44.088 88.176 0.389 2.88 4 54.4 8.2
321 1 4 4 44.279 88.559 0.39 2.87 4 65.4 11.9
322 1 9 -3 44.325 88.651 0.391 2.86 4 70.3 13.7
323 2 9 -3 44.338 88.675 0.391 2.86 4 28.8 2.3
324 5 4 -4 44.377 88.755 0.391 2.86 4 35.6 3.5
325 2 10 0 44.685 89.37 0.393 2.84 4 171.7 81.0
326 4 5 1 44.74 89.48 0.393 2.84 4 95.4 25.0
327 5 5 -1 44.777 89.554 0.394 2.84 4 44.9 5.5
328 2 8 2 44.934 89.868 0.395 2.83 4 80.7 17.8
329 4 8 -2 44.983 89.966 0.395 2.83 4 124.4 42.3
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 0 2 0 7.452 14.903 6.897 34.2 1.2 1.2 5.6
2 1 0 0 7.819 15.638 6.57497 36.4 1.3 1.3 5.6
3 0 1 1 9.042 18.084 5.6915 105.2 3.7 3.8 5.6
4 1 2 0 10.833 21.667 4.75898 82.0 2.9 2.9 5.6
5 0 2 1 11.138 22.275 4.63055 527.6 18.7 18.8 5.6
6 1 3 -1 13.986 27.971 3.70106 55.9 2.0 2.0 5.6
7 2 1 -1 14.401 28.802 3.59646 41.4 1.5 1.5 5.6
8 1 0 -2 14.608 29.217 3.54649 85.6 3.0 3.0 5.6
9 0 4 0 15.033 30.066 3.4485 120.9 4.3 4.3 5.6
10 1 1 -2 15.095 30.189 3.43478 45.4 1.6 1.6 5.6
11 1 2 1 15.813 31.626 3.28244 2824.8 100.0 100.0 5.6
12 0 0 2 16.637 33.275 3.12408 1282.7 45.4 45.3 5.6
13 2 0 -2 16.667 33.334 3.11867 885.3 31.3 31.3 5.7
14 1 4 0 17.031 34.062 3.05394 2048.5 72.5 72.4 5.7
15 0 1 2 17.071 34.143 3.04691 414.7 14.7 14.6 5.7
16 2 1 -2 17.1 34.201 3.04189 370.7 13.1 13.1 5.7
17 0 4 1 17.233 34.466 3.01918 239.1 8.5 8.4 5.7
18 2 2 0 17.542 35.084 2.96761 97.1 3.4 3.4 5.7
19 2 3 -1 18.0 36.0 2.89452 286.4 10.1 10.1 5.7
20 1 3 -2 18.573 37.146 2.80821 551.1 19.5 19.4 5.7
21 1 4 1 20.68 41.36 2.53283 156.1 5.5 5.5 5.7
22 0 5 1 20.758 41.516 2.52374 121.4 4.3 4.3 5.7
23 1 4 -2 21.21 42.419 2.47238 715.6 25.3 25.1 5.7
24 3 1 -1 21.637 43.273 2.42586 36.9 1.3 1.3 5.7
25 3 0 -2 21.801 43.601 2.40848 104.1 3.7 3.6 5.7
26 3 1 -2 22.148 44.296 2.37259 68.5 2.4 2.4 5.7
27 2 2 1 22.643 45.285 2.32338 612.3 21.7 21.4 5.7
28 3 2 -1 22.671 45.343 2.32059 357.3 12.6 12.5 5.7
29 0 6 0 22.896 45.793 2.299 75.9 2.7 2.6 5.7
30 2 1 -3 22.951 45.903 2.29379 104.8 3.7 3.7 5.7
31 1 2 2 23.119 46.239 2.27802 30.8 1.1 1.1 5.7
32 3 2 -2 23.164 46.329 2.27383 57.4 2.0 2.0 5.7
33 1 5 1 23.777 47.554 2.2185 101.3 3.6 3.5 5.7
34 1 2 -3 23.925 47.85 2.20561 168.9 6.0 5.9 5.7
35 1 5 -2 24.253 48.506 2.17754 309.7 11.0 10.8 5.7
36 1 6 0 24.341 48.682 2.17016 87.1 3.1 3.0 5.7
37 1 6 -1 24.497 48.995 2.15713 129.6 4.6 4.5 5.7
38 3 3 -2 24.787 49.574 2.13351 46.4 1.6 1.6 5.7
39 1 3 -3 25.511 51.021 2.07686 193.6 6.9 6.7 5.8
40 0 5 2 25.629 51.258 2.06791 37.9 1.3 1.3 5.8
41 0 1 3 25.743 51.486 2.05938 74.0 2.6 2.6 5.8
42 3 1 -3 25.79 51.58 2.05589 39.0 1.4 1.4 5.8
43 2 4 1 26.47 52.939 2.00676 63.1 2.2 2.2 5.8
44 0 2 3 26.655 53.311 1.9938 79.2 2.8 2.7 5.8
45 3 2 -3 26.701 53.402 1.99063 85.4 3.0 3.0 5.8
46 1 4 2 26.895 53.79 1.97732 273.7 9.7 9.5 5.8
47 3 4 -2 26.936 53.871 1.97458 220.2 7.8 7.6 5.8
48 1 6 1 27.191 54.382 1.95744 208.6 7.4 7.2 5.8
49 1 4 -3 27.619 55.238 1.92941 80.1 2.8 2.8 5.8
50 3 3 -3 28.174 56.348 1.89444 104.5 3.7 3.6 5.8
51 2 6 0 28.344 56.688 1.88402 32.9 1.2 1.1 5.8
52 2 0 2 28.641 57.282 1.86611 69.5 2.5 2.4 5.8
53 4 0 -2 28.699 57.398 1.86265 129.6 4.6 4.5 5.8
54 3 4 0 28.919 57.837 1.84971 526.8 18.7 18.1 5.8
55 4 1 -2 28.984 57.968 1.8459 130.4 4.6 4.5 5.8
56 1 5 2 29.499 58.999 1.81648 60.7 2.1 2.1 5.8
57 3 5 -2 29.537 59.075 1.81435 122.1 4.3 4.2 5.8
58 2 0 -4 30.293 60.586 1.77325 32.6 1.2 1.1 5.8
59 2 1 -4 30.569 61.137 1.75877 162.8 5.8 5.6 5.8
60 3 2 1 30.604 61.208 1.75695 72.4 2.6 2.5 5.8
61 4 2 -1 30.636 61.273 1.75526 55.3 2.0 1.9 5.8
62 2 7 -1 30.897 61.795 1.74189 62.0 2.2 2.1 5.8
63 0 8 0 31.249 62.497 1.72425 242.7 8.6 8.3 5.8
64 1 2 3 31.633 63.266 1.70543 120.9 4.3 4.1 5.9
65 4 2 -3 31.701 63.403 1.70213 82.5 2.9 2.8 5.9
66 4 3 -1 31.993 63.986 1.68825 74.2 2.6 2.5 5.9
67 3 6 -1 32.147 64.294 1.68103 120.2 4.3 4.1 5.9
68 1 6 2 32.502 65.004 1.66464 38.7 1.4 1.3 5.9
69 1 8 -1 32.562 65.124 1.66192 191.2 6.8 6.5 5.9
70 3 5 -3 32.595 65.191 1.66039 66.2 2.3 2.3 5.9
71 4 0 0 32.967 65.935 1.64374 373.8 13.2 12.7 5.9
72 4 3 -3 33.034 66.067 1.64082 82.1 2.9 2.8 5.9
73 1 3 -4 33.864 67.729 1.60519 98.2 3.5 3.3 5.9
74 3 3 -4 33.9 67.799 1.60372 54.4 1.9 1.8 5.9
75 3 6 0 34.323 68.646 1.58633 53.7 1.9 1.8 5.9
76 1 8 1 34.851 69.701 1.56528 68.8 2.4 2.3 5.9
77 0 1 4 35.19 70.379 1.55212 77.5 2.7 2.6 5.9
78 4 1 -4 35.259 70.518 1.54946 58.5 2.1 2.0 5.9
79 0 6 3 35.415 70.83 1.54352 41.3 1.5 1.4 5.9
80 3 6 -3 35.454 70.908 1.54205 32.0 1.1 1.1 5.9
81 3 7 -1 35.534 71.069 1.53901 31.3 1.1 1.1 5.9
82 1 4 -4 35.665 71.33 1.53413 33.7 1.2 1.1 5.9
83 2 8 0 35.858 71.716 1.52697 113.6 4.0 3.8 5.9
84 0 8 2 36.336 72.672 1.50959 229.1 8.1 7.7 6.0
85 2 7 -3 36.504 73.009 1.50358 63.0 2.2 2.1 6.0
86 3 0 2 36.819 73.638 1.49253 42.3 1.5 1.4 6.0
87 1 5 3 37.071 74.142 1.48383 97.1 3.4 3.2 6.0
88 2 1 3 37.66 75.32 1.46399 40.2 1.4 1.3 6.0
89 1 5 -4 37.926 75.851 1.45526 131.2 4.6 4.4 6.0
90 3 5 -4 37.959 75.919 1.45417 100.8 3.6 3.4 6.0
91 2 2 3 38.405 76.809 1.43986 47.1 1.7 1.6 6.0
92 0 7 3 38.673 77.347 1.43141 34.4 1.2 1.1 6.0
93 3 7 -3 38.711 77.422 1.43024 51.9 1.8 1.7 6.0
94 3 6 1 38.865 77.729 1.42547 51.1 1.8 1.7 6.0
95 5 3 -2 39.122 78.245 1.41758 46.1 1.6 1.5 6.0
96 3 8 -1 39.281 78.563 1.41276 34.2 1.2 1.1 6.0
97 2 1 -5 39.594 79.189 1.40341 60.9 2.2 2.0 6.0
98 3 8 -2 39.642 79.284 1.402 40.8 1.4 1.4 6.0
99 1 6 3 39.793 79.587 1.39755 61.9 2.2 2.0 6.0
100 4 6 -3 39.856 79.711 1.39573 32.1 1.1 1.1 6.0
101 1 8 -3 40.208 80.415 1.38556 30.0 1.1 1.0 6.0
102 0 9 2 40.545 81.09 1.37599 69.4 2.5 2.3 6.1
103 3 4 2 40.769 81.538 1.36974 134.7 4.8 4.4 6.1
104 5 4 -2 40.835 81.67 1.36792 89.8 3.2 3.0 6.1
105 1 10 0 41.495 82.991 1.35001 34.5 1.2 1.1 6.1
106 3 3 -5 41.566 83.132 1.34813 62.2 2.2 2.0 6.1
107 4 1 -5 41.781 83.562 1.34245 41.7 1.5 1.4 6.1
108 5 3 -4 42.688 85.377 1.31924 31.6 1.1 1.0 6.1
109 3 5 2 42.951 85.902 1.31273 34.3 1.2 1.1 6.1
110 5 5 -2 43.017 86.033 1.31112 84.9 3.0 2.8 6.1
111 1 3 -5 43.654 87.307 1.29576 57.1 2.0 1.9 6.2
112 4 3 -5 43.715 87.43 1.29431 71.9 2.5 2.3 6.2
113 2 10 -1 43.746 87.493 1.29357 33.3 1.2 1.1 6.2
114 2 10 0 44.685 89.37 1.27197 81.0 2.9 2.6 6.2
115 4 8 -2 44.983 89.966 1.26533 42.3 1.5 1.4 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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