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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FERROALLUAUDITE
1, syn, f-alluaudite
NaFe(3)[PO(4)](3)
Monoclinic C 2/c Z = 4
C2/c
6 .6 .1908
Ref.Str.:
Corbin D.R., Whitney J.F., Fultz W.C. et al. (1986)
* Inorg. Chem., 25, 2279-2280
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.998 alpha = 90.0
b = 12.328 beta = 114.18
c = 6.5 gamma = 90.0
Unit cell volume (cub. angs.) = 877.04
Molar volume ( cub.cm/mol.) = 132.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.9709 0.25 0.0 Na = 1.00
2 0.789 0.84 0.8721 0.0 Fe = 1.00
3 0.5 0.7833 0.25 0.0 Fe = 1.00
4 0.7836 0.8887 0.3862 0.0 P = 1.00
5 0.5 0.8197 0.75 0.0 P = 1.00
6 0.7855 0.8205 0.1928 0.0 O = 1.00
7 0.6451 0.9085 0.3436 0.0 O = 1.00
8 0.846 0.8286 0.6107 0.0 O = 1.00
9 0.8456 0.9975 0.3987 0.0 O = 1.00
10 0.607 0.8941 0.7679 0.0 O = 1.00
11 0.5348 0.7483 0.9619 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.9709 0.25
2 2 0.789 0.84 0.8721
3 3 0.5 0.7833 0.25
4 4 0.7836 0.8887 0.3862
5 5 0.5 0.8197 0.75
6 6 0.7855 0.8205 0.1928
7 7 0.6451 0.9085 0.3436
8 8 0.846 0.8286 0.6107
9 9 0.8456 0.9975 0.3987
10 10 0.607 0.8941 0.7679
11 11 0.5348 0.7483 0.9619
12 1 0.0 0.0291 0.75
13 2 0.211 0.16 0.1279
14 3 0.5 0.2167 0.75
15 4 0.2164 0.1113 0.6138
16 5 0.5 0.1803 0.25
17 6 0.2145 0.1795 0.8072
18 7 0.3549 0.0915 0.6564
19 8 0.154 0.1714 0.3893
20 9 0.1544 0.0025 0.6013
21 10 0.393 0.1059 0.2321
22 11 0.4652 0.2517 0.0381
23 2 0.789 0.16 0.3721
24 4 0.7836 0.1113 0.8862
25 6 0.7855 0.1795 0.6928
26 7 0.6451 0.0915 0.8436
27 8 0.846 0.1714 0.1107
28 9 0.8456 0.0025 0.8987
29 10 0.607 0.1059 0.2679
30 11 0.5348 0.2517 0.4619
31 2 0.211 0.84 0.6279
32 4 0.2164 0.8887 0.1138
33 6 0.2145 0.8205 0.3072
34 7 0.3549 0.9085 0.1564
35 8 0.154 0.8286 0.8893
36 9 0.1544 0.9975 0.1013
37 10 0.393 0.8941 0.7321
38 11 0.4652 0.7483 0.5381
39 1 0.5 0.5291 0.75
40 2 0.289 0.66 0.3721
41 3 0.0 0.7167 0.75
42 4 0.2836 0.6113 0.8862
43 5 0.0 0.6803 0.25
44 6 0.2855 0.6795 0.6928
45 7 0.1451 0.5915 0.8436
46 8 0.346 0.6714 0.1107
47 9 0.3456 0.5025 0.8987
48 10 0.107 0.6059 0.2679
49 11 0.0348 0.7517 0.4619
50 1 0.5 0.4709 0.25
51 2 0.711 0.34 0.6279
52 3 0.0 0.2833 0.25
53 4 0.7164 0.3887 0.1138
54 5 0.0 0.3197 0.75
55 6 0.7145 0.3205 0.3072
56 7 0.8549 0.4085 0.1564
57 8 0.654 0.3286 0.8893
58 9 0.6544 0.4975 0.1013
59 10 0.893 0.3941 0.7321
60 11 0.9652 0.2483 0.5381
61 2 0.289 0.34 0.8721
62 4 0.2836 0.3887 0.3862
63 6 0.2855 0.3205 0.1928
64 7 0.1451 0.4085 0.3436
65 8 0.346 0.3286 0.6107
66 9 0.3456 0.4975 0.3987
67 10 0.107 0.3941 0.7679
68 11 0.0348 0.2483 0.9619
69 2 0.711 0.66 0.1279
70 4 0.7164 0.6113 0.6138
71 6 0.7145 0.6795 0.8072
72 7 0.8549 0.5915 0.6564
73 8 0.654 0.6714 0.3893
74 9 0.6544 0.5025 0.6013
75 10 0.893 0.6059 0.2321
76 11 0.9652 0.7517 0.0381
X-ray density (g/cm cub.) = 3.6
MU (1/cm) = 181.14 Mass attenuation coefficient (cm**2/g) = 50.323
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na 2.808 4
2.4373 9
2.309 9
2.309 9
2.4373 9
2 Fe 2.592 6
2.1161 6
2.0796 8
2.1123 10
2.0995 9
2.1408 6
2.2243 11
3 Fe 2.592 6
2.2171 7
2.1232 11
2.2171 7
2.1232 11
2.183 8
2.183 8
4 P 2.232 4
1.52 6
1.5882 7
1.5308 8
1.5195 9
5 P 2.232 4
1.5428 10
1.5412 11
1.5428 10
1.5412 11
6 O 3.264 11
2.5156 7
2.5099 8
2.5063 9
2.862 10
2.8971 11
3.2153 9
2.905 11
2.8775 6
3.025 8
2.9083 10
2.8558 11
7 O 3.264 8
2.5156 6
2.523 8
2.5324 9
2.9799 10
3.0194 11
2.4878 10
3.1831 7
2.9355 8
8 O 3.264 9
2.5099 6
2.523 7
2.4958 9
2.8474 9
2.9598 11
3.025 6
2.9355 7
2.9012 8
2.7215 11
9 O 3.264 8
2.5063 6
2.5324 7
2.4958 8
3.2153 6
2.8474 8
3.2506 9
3.2506 9
2.9512 10
10 O 3.264 8
2.862 6
2.9799 7
2.5429 11
2.4878 7
2.9512 9
2.4813 10
2.5048 11
2.9083 6
11 O 3.264 9
2.8971 6
3.0194 7
2.5429 10
2.5048 10
2.53 11
2.905 6
2.9598 8
2.8558 6
2.7215 8
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 1 0 6.274 12.548 0.061 164.49 4 28.6 70.0
2 0 2 0 8.344 16.687 0.081 92.04 2 182.9 800.5
3 1 1 -1 9.023 18.047 0.088 78.38 4 5.1 1.0
4 2 0 0 9.407 18.814 0.091 71.94 2 121.4 275.8
5 0 2 1 12.082 24.164 0.117 42.77 4 42.2 39.6
6 1 1 1 12.22 24.439 0.118 41.77 4 81.9 145.8
7 2 2 0 12.625 25.25 0.122 39.0 4 57.5 67.1
8 2 2 -1 12.964 25.927 0.125 36.88 4 28.1 15.2
9 1 3 0 13.444 26.889 0.13 34.15 4 87.5 135.9
10 3 1 -1 13.914 27.828 0.134 31.75 4 2.5 0.1
11 3 1 0 14.814 29.628 0.143 27.78 4 139.6 281.7
12 1 3 -1 14.968 29.937 0.144 27.17 4 5.4 0.4
13 2 0 -2 16.146 32.292 0.155 23.08 2 77.4 36.0
14 1 1 -2 16.719 33.439 0.161 21.4 4 250.0 695.6
15 0 4 0 16.871 33.742 0.162 20.99 2 125.9 86.5
16 1 3 1 17.146 34.292 0.165 20.26 4 156.1 256.6
17 2 2 1 17.531 35.061 0.168 19.3 4 2.8 0.1
18 0 0 2 17.56 35.119 0.169 19.23 2 194.8 189.8
19 3 1 -2 18.029 36.058 0.173 18.15 4 121.7 139.7
20 2 2 -2 18.281 36.561 0.175 17.61 4 42.2 16.3
21 3 3 -1 18.429 36.858 0.177 17.3 4 70.7 44.9
22 4 0 0 19.08 38.161 0.183 16.02 2 214.5 191.6
23 0 4 1 19.092 38.184 0.183 16.0 4 107.9 96.9
24 3 3 0 19.138 38.277 0.183 15.92 4 266.7 588.5
25 4 2 -1 19.394 38.789 0.186 15.46 4 1.4 0.0
26 2 4 0 19.456 38.912 0.186 15.35 4 277.2 613.2
27 0 2 2 19.559 39.119 0.187 15.17 4 46.6 17.2
28 2 4 -1 19.688 39.375 0.188 14.95 4 90.8 64.1
29 4 0 -2 20.009 40.017 0.191 14.42 2 282.2 298.5
30 3 1 1 20.129 40.259 0.192 14.23 4 58.2 25.1
31 1 1 2 20.546 41.091 0.196 13.6 4 138.5 135.6
32 1 3 -2 20.694 41.388 0.198 13.38 4 225.1 352.5
33 4 2 0 20.956 41.913 0.2 13.01 4 184.4 229.9
34 3 3 -2 21.799 43.598 0.208 11.91 4 10.8 0.7
35 4 2 -2 21.818 43.636 0.208 11.88 4 77.1 36.7
36 1 5 0 21.831 43.662 0.208 11.87 4 24.5 3.7
37 5 1 -1 22.341 44.681 0.212 11.27 4 14.1 1.2
38 1 5 -1 22.862 45.724 0.217 10.69 4 74.1 30.5
39 2 4 1 23.098 46.196 0.219 10.45 4 61.0 20.2
40 2 0 2 23.433 46.865 0.222 10.11 2 140.4 51.9
41 3 3 1 23.621 47.242 0.224 9.93 4 57.2 16.9
42 2 4 -2 23.7 47.4 0.225 9.86 4 28.8 4.3
43 5 1 -2 23.753 47.506 0.225 9.81 4 39.4 7.9
44 1 3 2 23.988 47.976 0.227 9.59 4 15.6 1.2
45 1 5 1 24.437 48.874 0.231 9.19 4 56.1 15.1
46 5 1 0 24.52 49.04 0.232 9.12 4 187.3 166.5
47 4 4 -1 24.611 49.223 0.233 9.05 4 77.7 28.4
48 0 4 2 24.748 49.496 0.234 8.93 4 22.6 2.4
49 2 2 2 25.044 50.089 0.237 8.7 4 22.1 2.2
50 3 1 -3 25.049 50.098 0.237 8.69 4 237.7 255.3
51 3 5 -1 25.413 50.827 0.24 8.41 4 7.1 0.2
52 1 1 -3 25.581 51.162 0.241 8.29 4 57.9 14.5
53 5 3 -1 25.593 51.185 0.241 8.28 4 13.7 0.8
54 0 6 0 25.806 51.613 0.243 8.12 2 140.6 41.8
55 4 2 1 25.921 51.841 0.244 8.04 4 69.0 19.9
56 4 4 0 25.921 51.843 0.244 8.04 4 23.0 2.2
57 3 5 0 25.967 51.934 0.245 8.01 4 195.6 159.3
58 2 2 -3 25.985 51.97 0.245 7.99 4 8.7 0.3
59 4 4 -2 26.658 53.316 0.251 7.54 4 19.5 1.5
60 5 3 -2 26.876 53.752 0.253 7.4 4 186.7 134.3
61 1 5 -2 27.212 54.423 0.256 7.2 4 23.6 2.1
62 6 0 -2 27.292 54.584 0.256 7.15 2 107.9 21.7
63 4 2 -3 27.38 54.761 0.257 7.1 4 37.5 5.2
64 0 6 1 27.434 54.868 0.258 7.07 4 94.7 33.0
65 5 3 0 27.579 55.159 0.259 6.98 4 112.3 45.8
66 2 6 0 27.71 55.421 0.26 6.91 4 153.6 84.7
67 3 1 2 27.764 55.529 0.26 6.88 4 41.6 6.2
68 2 6 -1 27.888 55.775 0.261 6.81 4 88.9 28.0
69 3 3 -3 28.067 56.134 0.263 6.71 4 130.6 59.5
70 3 5 -2 28.119 56.238 0.263 6.68 4 127.6 56.6
71 6 2 -1 28.223 56.446 0.264 6.63 4 74.5 19.1
72 5 1 -3 28.352 56.704 0.265 6.56 4 34.8 4.1
73 0 2 3 28.375 56.751 0.266 6.54 4 36.2 4.5
74 1 3 -3 28.56 57.119 0.267 6.45 4 62.2 13.0
75 6 2 -2 28.747 57.493 0.269 6.36 4 24.6 2.0
76 6 0 0 29.363 58.726 0.274 6.06 2 166.4 43.6
77 2 4 2 29.493 58.985 0.275 6.0 4 29.0 2.6
78 3 5 1 29.653 59.306 0.277 5.93 4 159.4 78.3
79 5 1 1 29.701 59.402 0.277 5.9 4 155.2 74.0
80 1 1 3 29.804 59.609 0.278 5.86 4 65.1 12.9
81 1 5 2 29.968 59.935 0.279 5.79 4 100.5 30.4
82 4 4 1 30.28 60.561 0.282 5.65 4 45.8 6.2
83 2 4 -3 30.339 60.677 0.282 5.63 4 85.5 21.4
84 3 3 2 30.6 61.199 0.285 5.52 4 235.0 158.7
85 2 6 1 30.604 61.208 0.285 5.52 4 82.5 19.5
86 6 2 0 30.755 61.51 0.286 5.46 4 42.0 5.0
87 1 7 0 30.959 61.917 0.288 5.38 4 142.9 57.2
88 2 6 -2 31.103 62.205 0.289 5.33 4 55.5 8.5
89 5 3 -3 31.153 62.307 0.289 5.31 4 41.5 4.8
90 5 5 -1 31.36 62.719 0.291 5.23 4 29.6 2.4
91 4 4 -3 31.607 63.215 0.293 5.14 4 54.1 7.8
92 1 7 -1 31.774 63.549 0.294 5.08 4 122.8 39.9
93 4 0 2 31.865 63.729 0.295 5.05 2 51.9 3.5
94 4 6 -1 31.867 63.733 0.295 5.05 4 46.4 5.7
95 0 6 2 31.982 63.964 0.296 5.01 4 33.9 3.0
96 7 1 -2 32.084 64.168 0.297 4.98 4 39.2 4.0
97 6 2 -3 32.233 64.466 0.298 4.93 4 121.6 37.9
98 7 1 -1 32.239 64.478 0.298 4.93 4 3.8 0.0
99 6 4 -1 32.381 64.762 0.299 4.88 4 79.8 16.1
100 5 3 1 32.432 64.863 0.3 4.86 4 79.4 16.0
101 5 5 -2 32.493 64.987 0.3 4.84 4 70.7 12.6
102 0 4 3 32.521 65.043 0.301 4.83 4 147.0 54.3
103 1 3 3 32.53 65.059 0.301 4.83 4 134.6 45.5
104 6 4 -2 32.864 65.729 0.303 4.73 4 250.1 153.7
105 4 6 0 32.984 65.968 0.304 4.69 4 66.7 10.8
106 1 7 1 33.053 66.107 0.305 4.67 4 83.0 16.7
107 5 5 0 33.122 66.244 0.305 4.65 4 90.5 19.8
108 4 2 2 33.195 66.391 0.306 4.63 4 45.0 4.9
109 3 5 -3 33.56 67.121 0.309 4.52 4 81.4 15.6
110 4 6 -2 33.621 67.243 0.31 4.5 4 164.8 63.6
111 3 1 -4 33.725 67.449 0.31 4.47 4 72.9 12.4
112 4 0 -4 33.792 67.583 0.311 4.46 2 0.3 0.0
113 2 0 -4 33.833 67.666 0.311 4.44 2 392.5 178.0
114 3 7 -1 33.865 67.729 0.311 4.44 4 5.1 0.1
115 1 5 -3 34.005 68.011 0.313 4.4 4 183.1 76.7
116 2 2 3 34.03 68.06 0.313 4.39 4 72.9 12.1
117 3 7 0 34.331 68.661 0.315 4.31 4 55.5 6.9
118 7 3 -2 34.71 69.42 0.318 4.22 4 98.6 21.3
119 6 4 0 34.736 69.472 0.319 4.21 4 113.0 28.0
120 7 1 -3 34.769 69.537 0.319 4.2 4 78.3 13.4
121 7 3 -1 34.859 69.719 0.32 4.18 4 13.7 0.4
122 4 2 -4 35.085 70.17 0.321 4.12 4 26.6 1.5
123 2 2 -4 35.126 70.251 0.322 4.11 4 61.6 8.1
124 7 1 0 35.215 70.431 0.322 4.09 4 119.5 30.4
125 5 1 -4 35.323 70.646 0.323 4.07 4 75.1 11.9
126 1 7 -2 35.393 70.786 0.324 4.05 4 29.3 1.8
127 1 1 -4 35.404 70.807 0.324 4.05 4 45.0 4.3
128 0 8 0 35.482 70.963 0.324 4.03 2 17.9 0.3
129 3 5 2 35.871 71.741 0.328 3.95 4 77.4 12.3
130 6 2 1 35.962 71.923 0.328 3.93 4 21.4 0.9
131 6 4 -3 36.13 72.259 0.33 3.89 4 125.6 31.9
132 2 6 2 36.13 72.261 0.33 3.89 4 94.1 17.9
133 3 7 -2 36.179 72.359 0.33 3.88 4 157.2 49.9
134 3 3 -4 36.293 72.586 0.331 3.86 4 21.0 0.9
135 5 5 -3 36.383 72.766 0.332 3.84 4 156.8 49.1
136 8 0 -2 36.681 73.363 0.334 3.78 2 336.2 111.1
137 4 6 1 36.842 73.684 0.335 3.75 4 59.2 6.8
138 0 8 1 36.85 73.7 0.335 3.75 4 166.1 53.8
139 2 6 -3 36.895 73.79 0.336 3.74 4 39.2 3.0
140 3 1 3 36.935 73.869 0.336 3.73 4 32.4 2.0
141 6 0 -4 36.995 73.99 0.336 3.72 2 64.5 4.0
142 4 4 2 37.044 74.088 0.337 3.71 4 139.7 37.7
143 2 8 0 37.086 74.172 0.337 3.7 4 7.9 0.1
144 0 0 4 37.114 74.227 0.337 3.7 2 91.8 8.1
145 5 1 2 37.124 74.249 0.337 3.7 4 30.0 1.7
146 2 8 -1 37.238 74.476 0.338 3.68 4 82.2 12.9
147 7 3 -3 37.306 74.611 0.339 3.66 4 113.5 24.5
148 3 7 1 37.531 75.062 0.341 3.62 4 228.6 98.4
149 5 5 1 37.574 75.148 0.341 3.62 4 41.9 3.3
150 1 5 3 37.666 75.332 0.342 3.6 4 10.5 0.2
151 7 3 0 37.74 75.48 0.342 3.59 4 274.8 140.9
152 1 7 2 37.812 75.623 0.343 3.58 4 174.4 56.6
153 2 4 3 37.841 75.682 0.343 3.57 4 116.1 25.0
154 5 3 -4 37.845 75.69 0.343 3.57 4 175.1 56.9
155 1 3 -4 37.923 75.847 0.344 3.56 4 132.1 32.3
156 8 2 -2 37.933 75.866 0.344 3.56 4 121.9 27.5
157 4 6 -3 38.054 76.109 0.345 3.53 4 62.3 7.1
158 6 2 -4 38.243 76.486 0.346 3.5 4 82.5 12.4
159 0 2 4 38.36 76.72 0.347 3.49 4 41.5 3.1
160 8 2 -1 38.672 77.343 0.349 3.44 4 11.4 0.2
161 6 6 -1 38.769 77.537 0.35 3.42 4 80.5 11.5
162 4 4 -4 38.854 77.709 0.351 3.41 4 145.8 37.7
163 2 4 -4 38.893 77.787 0.351 3.4 4 77.6 10.7
164 0 6 3 38.899 77.797 0.351 3.4 4 118.7 25.0
165 5 7 -1 39.066 78.132 0.352 3.38 4 46.8 3.8
166 6 6 -2 39.217 78.435 0.353 3.36 4 50.0 4.4
167 3 3 3 39.418 78.837 0.355 3.33 4 48.5 4.1
168 5 3 2 39.604 79.209 0.356 3.31 4 38.4 2.5
169 2 8 1 39.616 79.232 0.356 3.3 4 34.2 2.0
170 6 4 1 39.7 79.4 0.357 3.29 4 137.6 32.4
171 7 5 -2 39.726 79.452 0.357 3.29 4 107.6 19.8
172 8 2 -3 39.866 79.732 0.358 3.27 4 74.0 9.3
173 7 5 -1 39.868 79.737 0.358 3.27 4 52.9 4.8
174 7 1 -4 40.035 80.07 0.36 3.25 4 102.5 17.8
175 2 8 -2 40.062 80.124 0.36 3.25 4 77.3 10.1
176 5 7 -2 40.102 80.204 0.36 3.24 4 32.1 1.7
177 1 1 4 40.19 80.379 0.361 3.23 4 61.7 6.4
178 5 7 0 40.682 81.364 0.364 3.17 4 158.2 41.3
179 7 1 1 40.744 81.488 0.365 3.17 4 55.2 5.0
180 4 8 -1 40.752 81.503 0.365 3.17 4 171.5 48.4
181 8 0 0 40.828 81.656 0.365 3.16 2 87.4 6.3
182 0 8 2 40.857 81.713 0.366 3.15 4 73.3 8.8
183 6 6 0 40.973 81.946 0.367 3.14 4 46.1 3.5
184 3 7 -3 41.089 82.177 0.367 3.13 4 85.7 12.0
185 1 9 0 41.154 82.309 0.368 3.12 4 77.2 9.7
186 3 5 -4 41.242 82.483 0.369 3.11 4 12.4 0.2
187 1 7 -3 41.503 83.007 0.37 3.09 4 209.2 70.2
188 8 4 -2 41.616 83.232 0.371 3.07 4 118.0 22.3
189 4 8 0 41.772 83.543 0.372 3.06 4 27.8 1.2
190 1 9 -1 41.885 83.77 0.373 3.05 4 63.6 6.4
191 6 4 -4 41.919 83.838 0.373 3.05 4 14.2 0.3
192 0 4 4 42.034 84.067 0.374 3.04 4 174.7 48.2
193 8 2 0 42.044 84.088 0.374 3.03 4 15.4 0.4
194 7 5 -3 42.219 84.438 0.376 3.02 4 10.3 0.2
195 6 0 2 42.284 84.569 0.376 3.01 2 252.6 50.0
196 6 6 -3 42.299 84.598 0.376 3.01 4 56.0 4.9
197 8 4 -1 42.339 84.677 0.376 3.01 4 92.3 13.3
198 4 2 3 42.357 84.714 0.377 3.01 4 91.7 13.1
199 4 8 -2 42.36 84.72 0.377 3.01 4 2.4 0.0
200 9 1 -2 42.444 84.888 0.377 3.0 4 15.5 0.4
201 7 3 -4 42.47 84.939 0.377 3.0 4 46.5 3.4
202 1 3 4 42.622 85.245 0.379 2.98 4 123.6 23.7
203 7 5 0 42.641 85.281 0.379 2.98 4 1.9 0.0
204 5 5 -4 42.743 85.485 0.379 2.97 4 96.4 14.4
205 1 5 -4 42.819 85.638 0.38 2.97 4 40.9 2.6
206 1 9 1 43.047 86.094 0.382 2.95 4 15.3 0.4
207 7 3 1 43.171 86.342 0.382 2.94 4 35.3 1.9
208 4 6 2 43.177 86.354 0.382 2.94 4 22.9 0.8
209 8 0 -4 43.182 86.364 0.383 2.94 2 115.9 10.3
210 3 7 2 43.262 86.524 0.383 2.93 4 4.4 0.0
211 2 0 4 43.373 86.746 0.384 2.93 2 262.5 52.4
212 6 2 2 43.494 86.988 0.385 2.92 4 72.8 8.0
213 8 4 -3 43.512 87.024 0.385 2.92 4 141.8 30.5
214 9 1 -1 43.744 87.489 0.387 2.9 4 38.1 2.2
215 5 7 -3 43.751 87.501 0.387 2.9 4 252.8 96.4
216 9 1 -3 43.757 87.514 0.387 2.9 4 70.6 7.5
217 3 9 -1 43.794 87.589 0.387 2.9 4 35.6 1.9
218 2 6 3 43.948 87.895 0.388 2.89 4 29.7 1.3
219 3 1 -5 44.011 88.022 0.388 2.88 4 50.2 3.8
220 3 9 0 44.227 88.454 0.39 2.87 4 33.8 1.7
221 3 5 3 44.28 88.559 0.39 2.87 4 27.5 1.1
222 5 1 -5 44.346 88.693 0.391 2.86 4 18.1 0.5
223 8 2 -4 44.39 88.78 0.391 2.86 4 13.7 0.3
224 5 5 2 44.462 88.924 0.392 2.86 4 72.4 7.8
225 2 2 4 44.58 89.16 0.392 2.85 4 119.5 21.2
226 4 2 -5 44.701 89.402 0.393 2.84 4 41.8 2.6
227 2 8 2 44.717 89.433 0.393 2.84 4 22.9 0.8
228 9 3 -2 44.86 89.721 0.394 2.84 4 20.7 0.6
229 5 7 1 44.896 89.791 0.395 2.83 4 24.0 0.9
230 4 6 -4 44.934 89.868 0.395 2.83 4 14.2 0.3
231 2 6 -4 44.972 89.944 0.395 2.83 4 73.4 7.9
232 1 7 3 44.985 89.969 0.395 2.83 4 23.0 0.8
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 1 0 6.274 12.548 8.18471 70.0 8.7 8.8 5.6
2 0 2 0 8.344 16.687 6.164 800.5 100.0 100.0 5.6
3 2 0 0 9.407 18.814 5.47245 275.8 34.5 34.4 5.6
4 0 2 1 12.082 24.164 4.27328 39.6 4.9 4.9 5.6
5 1 1 1 12.22 24.439 4.22593 145.8 18.2 18.1 5.6
6 2 2 0 12.625 25.25 4.09236 67.1 8.4 8.3 5.6
7 2 2 -1 12.964 25.927 3.98719 15.2 1.9 1.9 5.6
8 1 3 0 13.444 26.889 3.84711 135.9 17.0 16.8 5.6
9 3 1 0 14.814 29.628 3.49833 281.7 35.2 34.9 5.6
10 2 0 -2 16.146 32.292 3.21646 36.0 4.5 4.4 5.6
11 1 1 -2 16.719 33.439 3.10915 695.6 86.9 85.8 5.7
12 0 4 0 16.871 33.742 3.082 86.5 10.8 10.7 5.7
13 1 3 1 17.146 34.292 3.03401 256.6 32.1 31.6 5.7
14 0 0 2 17.56 35.119 2.96474 189.8 23.7 23.4 5.7
15 3 1 -2 18.029 36.058 2.89004 139.7 17.5 17.2 5.7
16 2 2 -2 18.281 36.561 2.85158 16.3 2.0 2.0 5.7
17 3 3 -1 18.429 36.858 2.82939 44.9 5.6 5.5 5.7
18 4 0 0 19.08 38.161 2.73623 288.5 36.0 35.4 5.7
19 3 3 0 19.138 38.277 2.72824 588.5 73.5 72.3 5.7
20 2 4 0 19.456 38.912 2.68541 613.2 76.6 75.3 5.7
21 0 2 2 19.559 39.119 2.67176 17.2 2.1 2.1 5.7
22 2 4 -1 19.688 39.375 2.65503 64.1 8.0 7.9 5.7
23 4 0 -2 20.009 40.017 2.61416 298.5 37.3 36.6 5.7
24 3 1 1 20.129 40.259 2.59911 25.1 3.1 3.1 5.7
25 1 1 2 20.546 41.091 2.54866 135.6 16.9 16.6 5.7
26 1 3 -2 20.694 41.388 2.53116 352.5 44.0 43.2 5.7
27 4 2 0 20.956 41.913 2.5009 229.9 28.7 28.1 5.7
28 4 2 -2 21.818 43.636 2.40667 40.4 5.0 4.9 5.7
29 1 5 -1 22.862 45.724 2.30229 30.5 3.8 3.7 5.7
30 2 4 1 23.098 46.196 2.28003 20.2 2.5 2.5 5.7
31 2 0 2 23.433 46.865 2.24924 51.9 6.5 6.3 5.7
32 3 3 1 23.621 47.242 2.23234 16.9 2.1 2.1 5.7
33 1 5 1 24.437 48.874 2.16213 15.1 1.9 1.8 5.7
34 5 1 0 24.52 49.04 2.15527 166.5 20.8 20.2 5.7
35 4 4 -1 24.611 49.223 2.14777 28.4 3.6 3.5 5.7
36 3 1 -3 25.049 50.098 2.11259 257.6 32.2 31.2 5.7
37 1 1 -3 25.581 51.162 2.07153 15.3 1.9 1.8 5.8
38 0 6 0 25.806 51.613 2.05467 41.8 5.2 5.1 5.8
39 4 2 1 25.921 51.841 2.04623 22.1 2.8 2.7 5.8
40 3 5 0 25.967 51.934 2.04283 159.6 19.9 19.3 5.8
41 5 3 -2 26.876 53.752 1.97863 134.3 16.8 16.2 5.8
42 6 0 -2 27.292 54.584 1.95074 21.7 2.7 2.6 5.8
43 0 6 1 27.434 54.868 1.94141 33.0 4.1 4.0 5.8
44 5 3 0 27.579 55.159 1.93197 45.8 5.7 5.5 5.8
45 2 6 0 27.71 55.421 1.92356 84.7 10.6 10.2 5.8
46 2 6 -1 27.888 55.775 1.9123 28.0 3.5 3.4 5.8
47 3 3 -3 28.067 56.134 1.90105 59.5 7.4 7.2 5.8
48 3 5 -2 28.119 56.238 1.89783 56.6 7.1 6.8 5.8
49 6 2 -1 28.223 56.446 1.8914 19.1 2.4 2.3 5.8
50 0 2 3 28.375 56.751 1.8821 8.6 1.1 1.0 5.8
51 1 3 -3 28.56 57.119 1.87097 13.0 1.6 1.6 5.8
52 6 0 0 29.363 58.726 1.82415 43.6 5.5 5.2 5.8
53 3 5 1 29.653 59.306 1.80791 78.3 9.8 9.4 5.8
54 5 1 1 29.701 59.402 1.80526 74.0 9.2 8.9 5.8
55 1 1 3 29.804 59.609 1.79958 12.9 1.6 1.5 5.8
56 1 5 2 29.968 59.935 1.79068 30.4 3.8 3.6 5.8
57 2 4 -3 30.339 60.677 1.77082 21.4 2.7 2.6 5.8
58 3 3 2 30.6 61.199 1.75717 178.2 22.3 21.3 5.8
59 1 7 0 30.959 61.917 1.73878 57.2 7.1 6.8 5.8
60 2 6 -2 31.103 62.205 1.73153 8.5 1.1 1.0 5.8
61 1 7 -1 31.774 63.549 1.69864 39.9 5.0 4.7 5.9
62 4 6 -1 31.867 63.733 1.69423 9.2 1.1 1.1 5.9
63 6 2 -3 32.233 64.466 1.67703 37.9 4.7 4.5 5.9
64 6 4 -1 32.381 64.762 1.67017 16.1 2.0 1.9 5.9
65 5 3 1 32.432 64.863 1.66786 16.0 2.0 1.9 5.9
66 0 4 3 32.521 65.043 1.66376 112.5 14.0 13.3 5.9
67 6 4 -2 32.864 65.729 1.64831 153.7 19.2 18.2 5.9
68 4 6 0 32.984 65.968 1.64301 10.8 1.4 1.3 5.9
69 1 7 1 33.053 66.107 1.63994 16.7 2.1 2.0 5.9
70 5 5 0 33.122 66.244 1.63694 19.8 2.5 2.3 5.9
71 3 5 -3 33.56 67.121 1.61801 15.6 1.9 1.8 5.9
72 4 6 -2 33.621 67.243 1.61542 63.6 7.9 7.5 5.9
73 3 1 -4 33.725 67.449 1.61105 12.4 1.5 1.5 5.9
74 2 0 -4 33.833 67.666 1.60651 178.0 22.2 21.0 5.9
75 1 5 -3 34.005 68.011 1.59934 88.8 11.1 10.5 5.9
76 6 4 0 34.736 69.472 1.5698 49.3 6.2 5.8 5.9
77 7 1 -3 34.769 69.537 1.5685 13.4 1.7 1.6 5.9
78 2 2 -4 35.126 70.251 1.55458 8.1 1.0 1.0 5.9
79 7 1 0 35.215 70.431 1.55113 30.4 3.8 3.6 5.9
80 5 1 -4 35.323 70.646 1.54701 11.9 1.5 1.4 5.9
81 3 5 2 35.871 71.741 1.5265 12.3 1.5 1.4 5.9
82 6 4 -3 36.13 72.259 1.51703 49.9 6.2 5.8 5.9
83 3 7 -2 36.179 72.359 1.51522 49.9 6.2 5.8 5.9
84 5 5 -3 36.383 72.766 1.50791 49.1 6.1 5.7 6.0
85 8 0 -2 36.681 73.363 1.49734 111.1 13.9 13.0 6.0
86 0 8 1 36.85 73.7 1.49146 60.6 7.6 7.1 6.0
87 4 4 2 37.044 74.088 1.48476 37.7 4.7 4.4 6.0
88 0 0 4 37.114 74.227 1.48237 9.8 1.2 1.1 6.0
89 2 8 -1 37.238 74.476 1.47813 12.9 1.6 1.5 6.0
90 7 3 -3 37.306 74.611 1.47585 24.5 3.1 2.9 6.0
91 3 7 1 37.531 75.062 1.46827 98.4 12.3 11.5 6.0
92 7 3 0 37.74 75.48 1.46135 140.9 17.6 16.4 6.0
93 1 7 2 37.812 75.623 1.45899 81.6 10.2 9.5 6.0
94 5 3 -4 37.845 75.69 1.4579 56.9 7.1 6.6 6.0
95 1 3 -4 37.923 75.847 1.45534 59.8 7.5 7.0 6.0
96 6 2 -4 38.243 76.486 1.44502 12.4 1.6 1.4 6.0
97 6 6 -1 38.769 77.537 1.42845 11.5 1.4 1.3 6.0
98 4 4 -4 38.854 77.709 1.42579 37.7 4.7 4.4 6.0
99 0 6 3 38.899 77.797 1.42443 35.6 4.4 4.1 6.0
100 6 4 1 39.7 79.4 1.40028 52.2 6.5 6.0 6.0
101 8 2 -3 39.866 79.732 1.39543 14.1 1.8 1.6 6.0
102 7 1 -4 40.035 80.07 1.39051 27.8 3.5 3.2 6.0
103 5 7 0 40.682 81.364 1.37217 41.3 5.2 4.7 6.1
104 4 8 -1 40.752 81.503 1.37023 53.4 6.7 6.1 6.1
105 0 8 2 40.857 81.713 1.36733 15.1 1.9 1.7 6.1
106 3 7 -3 41.089 82.177 1.36096 12.0 1.5 1.4 6.1
107 1 9 0 41.154 82.309 1.35917 9.7 1.2 1.1 6.1
108 1 7 -3 41.503 83.007 1.34979 70.2 8.8 8.0 6.1
109 8 4 -2 41.616 83.232 1.34681 22.3 2.8 2.5 6.1
110 0 4 4 42.034 84.067 1.33588 48.5 6.1 5.5 6.1
111 6 0 2 42.284 84.569 1.32944 54.9 6.9 6.3 6.1
112 8 4 -1 42.339 84.677 1.32806 26.5 3.3 3.0 6.1
113 1 3 4 42.622 85.245 1.32089 23.7 3.0 2.7 6.1
114 5 5 -4 42.743 85.485 1.31789 14.4 1.8 1.6 6.1
115 8 0 -4 43.182 86.364 1.30708 13.0 1.6 1.5 6.1
116 2 0 4 43.373 86.746 1.30247 52.4 6.6 5.9 6.1
117 8 4 -3 43.512 87.024 1.29913 38.6 4.8 4.4 6.1
118 9 1 -3 43.757 87.514 1.29331 106.1 13.3 12.0 6.2
119 2 2 4 44.58 89.16 1.27433 21.2 2.6 2.4 6.2
120 2 6 -4 44.972 89.944 1.26558 8.7 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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