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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GREIFENSTEINITE
3, f-roscherite, DN
(Fe,Mn,Zn)(5)Ca(2)Be(4)[PO(4)](6)(OH)(4).6H(2)O
Monoclinic C 2/c Z = 2
R =0.085 NR =562
3 .6 .1905
Ref.Str.:
R.K. Rastsvetaeva, A.V. Barinova, N.V. Chukanov, A. Petrashko (2004)
* Kriastallogr., 49, 1037-1041
Reserv:
From Minas-Jerais, Brazilia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 15.941 alpha = 90.0
b = 11.877 beta = 95.09
c = 6.625 gamma = 90.0
Unit cell volume (cub. angs.) = 1249.37
Molar volume ( cub.cm/mol.) = 376.27
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.2571 0.25 2.1 Ca = 1.00
2 0.0 0.0 0.0 2.04 Fe = 0.34, Fe = 0.0
3 0.1713 0.1616 0.996 2.26 Fe = 0.59, Zn = 0.18, Mn = 0.23
4 0.188 0.1173 0.4779 1.9 P = 1.00
5 0.0 0.274 0.75 1.6 P = 1.00
6 0.333 0.178 0.299 2.6 Be = 1.00
7 0.3559 0.4973 0.498 2.4 O = 1.00
8 0.2824 0.0999 0.45 2.1 O = 1.00
9 0.1454 0.1823 0.299 1.9 O = 1.00
10 0.3188 0.3136 0.3287 1.6 O = 1.00
11 0.4583 0.297 0.074 1.9 O = 1.00
12 0.4338 0.1505 0.342 2.1 O = 1.00
13 0.3 0.164 0.0629 1.9 OH = 1.00
14 0.0928 0.4194 0.219 2.5 H(2)O = 1.00
15 0.0 0.041 0.25 3.3 H(2)O = 1.00
16 0.082 0.488 0.179 3.0 H = 1.00
17 0.15 0.417 0.18 3.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.2571 0.25
2 2 0.0 0.0 0.0
3 3 0.1713 0.1616 0.996
4 4 0.188 0.1173 0.4779
5 5 0.0 0.274 0.75
6 6 0.333 0.178 0.299
7 7 0.3559 0.4973 0.498
8 8 0.2824 0.0999 0.45
9 9 0.1454 0.1823 0.299
10 10 0.3188 0.3136 0.3287
11 11 0.4583 0.297 0.074
12 12 0.4338 0.1505 0.342
13 13 0.3 0.164 0.0629
14 14 0.0928 0.4194 0.219
15 15 0.0 0.041 0.25
16 16 0.082 0.488 0.179
17 17 0.15 0.417 0.18
18 1 0.0 0.7429 0.75
19 3 0.8287 0.8384 0.004
20 4 0.812 0.8827 0.5221
21 5 0.0 0.726 0.25
22 6 0.667 0.822 0.701
23 7 0.6441 0.5027 0.502
24 8 0.7176 0.9001 0.55
25 9 0.8546 0.8177 0.701
26 10 0.6812 0.6864 0.6713
27 11 0.5417 0.703 0.926
28 12 0.5662 0.8495 0.658
29 13 0.7 0.836 0.9371
30 14 0.9072 0.5806 0.781
31 15 0.0 0.959 0.75
32 16 0.918 0.512 0.821
33 17 0.85 0.583 0.82
34 2 0.0 0.0 0.5
35 3 0.1713 0.8384 0.496
36 4 0.188 0.8827 0.9779
37 6 0.333 0.822 0.799
38 7 0.3559 0.5027 0.998
39 8 0.2824 0.9001 0.95
40 9 0.1454 0.8177 0.799
41 10 0.3188 0.6864 0.8287
42 11 0.4583 0.703 0.574
43 12 0.4338 0.8495 0.842
44 13 0.3 0.836 0.5629
45 14 0.0928 0.5806 0.719
46 16 0.082 0.512 0.679
47 17 0.15 0.583 0.68
48 3 0.8287 0.1616 0.504
49 4 0.812 0.1173 0.0221
50 6 0.667 0.178 0.201
51 7 0.6441 0.4973 0.002
52 8 0.7176 0.0999 0.05
53 9 0.8546 0.1823 0.201
54 10 0.6812 0.3136 0.1713
55 11 0.5417 0.297 0.426
56 12 0.5662 0.1505 0.158
57 13 0.7 0.164 0.4371
58 14 0.9072 0.4194 0.281
59 16 0.918 0.488 0.321
60 17 0.85 0.417 0.32
61 1 0.5 0.2429 0.75
62 2 0.5 0.5 0.5
63 3 0.6713 0.3384 0.496
64 4 0.688 0.3827 0.9779
65 5 0.5 0.226 0.25
66 6 0.833 0.322 0.799
67 7 0.8559 0.0027 0.998
68 8 0.7824 0.4001 0.95
69 9 0.6454 0.3177 0.799
70 10 0.8188 0.1864 0.8287
71 11 0.9583 0.203 0.574
72 12 0.9338 0.3495 0.842
73 13 0.8 0.336 0.5629
74 14 0.5928 0.0806 0.719
75 15 0.5 0.459 0.75
76 16 0.582 0.012 0.679
77 17 0.65 0.083 0.68
78 1 0.5 0.7571 0.25
79 3 0.3287 0.6616 0.504
80 4 0.312 0.6173 0.0221
81 5 0.5 0.774 0.75
82 6 0.167 0.678 0.201
83 7 0.1441 0.9973 0.002
84 8 0.2176 0.5999 0.05
85 9 0.3546 0.6823 0.201
86 10 0.1812 0.8136 0.1713
87 11 0.0417 0.797 0.426
88 12 0.0662 0.6505 0.158
89 13 0.2 0.664 0.4371
90 14 0.4072 0.9194 0.281
91 15 0.5 0.541 0.25
92 16 0.418 0.988 0.321
93 17 0.35 0.917 0.32
94 2 0.5 0.5 0.0
95 3 0.6713 0.6616 0.996
96 4 0.688 0.6173 0.4779
97 6 0.833 0.678 0.299
98 7 0.8559 0.9973 0.498
99 8 0.7824 0.5999 0.45
100 9 0.6454 0.6823 0.299
101 10 0.8188 0.8136 0.3287
102 11 0.9583 0.797 0.074
103 12 0.9338 0.6505 0.342
104 13 0.8 0.664 0.0629
105 14 0.5928 0.9194 0.219
106 16 0.582 0.988 0.179
107 17 0.65 0.917 0.18
108 3 0.3287 0.3384 0.004
109 4 0.312 0.3827 0.5221
110 6 0.167 0.322 0.701
111 7 0.1441 0.0027 0.502
112 8 0.2176 0.4001 0.55
113 9 0.3546 0.3177 0.701
114 10 0.1812 0.1864 0.6713
115 11 0.0417 0.203 0.926
116 12 0.0662 0.3495 0.658
117 13 0.2 0.336 0.9371
118 14 0.4072 0.0806 0.781
119 16 0.418 0.012 0.821
120 17 0.35 0.083 0.82
X-ray density (g/cm cub.) = 3.02
MU (1/cm) = 158.599 Mass attenuation coefficient (cm**2/g) = 52.465
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 3.048 9
2.4766 9
2.4495 14
2.5666 15
2.4766 9
2.4495 14
2.3907 11
3.0196 12
2.3907 11
3.0196 12
2 Fe ,Fe 2.76 6
1.7264 15
1.7264 15
2.2962 7
2.2962 7
2.5599 11
2.5599 11
3 Fe ,Zn ,Mn 2.892 6
2.0994 9
2.0603 13
2.0001 7
2.1907 10
2.1342 11
2.1642 13
4 P 2.4 4
1.5462 8
1.5228 9
1.5452 7
1.5335 10
5 P 2.4 4
1.5411 11
1.5503 12
1.5411 11
1.5503 12
6 Be 2.208 4
1.6294 8
1.6406 10
1.6397 12
1.614 13
7 O 3.432 11
2.5001 10
3.3131 7
3.3131 7
3.2286 10
2.9565 11
2.7551 15
2.9483 9
3.1751 13
2.9858 15
2.539 8
2.5227 9
8 O 3.432 10
2.518 9
2.7399 10
2.6466 12
2.7135 13
3.2288 13
3.1941 14
2.539 7
3.2314 9
2.4954 10
2.8364 14
9 O 3.432 12
2.518 8
3.1646 10
3.0416 13
2.9724 14
2.8567 15
2.9483 7
2.5227 7
3.2314 8
2.4823 10
2.8592 11
3.4245 12
3.1951 13
10 O 3.432 10
2.5001 7
2.7399 8
3.1646 9
2.915 11
2.6631 12
2.5008 13
3.2286 7
2.4954 8
2.4823 9
3.0848 13
11 O 3.432 10
2.915 10
2.5408 12
2.9725 13
2.9565 7
2.5798 11
2.4751 12
3.0008 15
3.1721 15
2.8592 9
3.2798 14
12 O 3.432 9
2.6466 8
2.6631 10
2.5408 11
2.7008 13
2.4751 11
2.5292 12
2.8012 14
3.4245 9
3.0897 14
13 OH 3.48 11
2.7135 8
3.0416 9
2.5008 10
2.9725 11
2.7008 12
3.2288 8
3.1751 7
3.1951 9
3.0848 10
2.6783 13
2.8206 14
14 H(2)O 3.6 9
2.9724 9
3.0229 14
3.4969 12
3.1941 8
2.8012 12
2.8364 8
3.2798 11
3.0897 12
2.8206 13
15 H(2)O 3.6 12
2.8567 9
3.4527 15
3.4527 15
2.8567 9
2.7551 7
3.0008 11
2.9858 7
3.1721 11
2.9858 7
3.1721 11
2.7551 7
3.0008 11
16 H 1.8 1
0.8693 14
17 H 1.8 1
0.9699 14
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 5.397 10.793 0.053 223.14 4 101.7 591.1
2 2 0 0 6.469 12.938 0.063 154.6 2 66.4 87.3
3 0 2 0 8.663 17.326 0.084 85.22 2 212.5 493.2
4 1 1 -1 9.255 18.509 0.09 74.4 4 71.9 98.5
5 1 1 1 9.732 19.463 0.094 67.08 4 38.9 25.9
6 3 1 0 10.662 21.325 0.103 55.52 4 139.7 277.5
7 2 2 0 10.842 21.683 0.105 53.63 4 25.5 9.0
8 0 2 1 11.691 23.382 0.113 45.82 4 66.6 52.2
9 3 1 -1 12.728 25.456 0.123 38.34 4 6.3 0.4
10 4 0 0 13.022 26.045 0.126 36.53 2 16.4 1.3
11 2 2 -1 13.057 26.115 0.126 36.33 4 71.3 47.3
12 1 3 0 13.465 26.93 0.13 34.04 4 18.8 3.1
13 2 2 1 13.746 27.492 0.133 32.58 4 51.6 22.2
14 3 1 1 13.772 27.543 0.133 32.45 4 46.4 17.9
15 1 3 -1 15.48 30.96 0.149 25.28 4 130.3 110.0
16 4 2 0 15.726 31.452 0.152 24.43 4 65.2 26.6
17 0 0 2 15.729 31.459 0.152 24.42 2 152.9 73.2
18 1 3 1 15.779 31.558 0.152 24.26 4 41.3 10.6
19 3 3 0 16.388 32.776 0.158 22.35 4 251.2 361.3
20 1 1 -2 16.391 32.781 0.158 22.34 4 91.1 47.5
21 2 0 -2 16.511 33.021 0.159 21.99 2 276.2 214.9
22 5 1 0 16.951 33.903 0.163 20.77 4 157.7 132.4
23 1 1 2 16.955 33.911 0.163 20.76 4 188.7 189.5
24 4 2 -1 17.095 34.191 0.164 20.39 4 11.4 0.7
25 0 4 0 17.532 35.064 0.168 19.3 2 117.7 34.2
26 2 0 2 17.618 35.235 0.169 19.09 2 302.7 224.2
27 3 3 -1 17.846 35.691 0.171 18.57 4 54.9 14.3
28 0 2 2 18.067 36.134 0.173 18.07 4 89.2 36.8
29 5 1 -1 18.108 36.216 0.174 17.98 4 0.5 0.0
30 4 2 1 18.171 36.342 0.174 17.84 4 35.4 5.7
31 3 1 -2 18.396 36.792 0.176 17.37 4 158.4 111.7
32 3 3 1 18.629 37.258 0.179 16.89 4 24.3 2.5
33 2 4 0 18.761 37.522 0.18 16.63 4 268.5 307.3
34 2 2 -2 18.762 37.524 0.18 16.63 4 104.5 46.6
35 0 4 1 19.289 38.578 0.185 15.64 4 59.6 14.3
36 5 1 1 19.384 38.768 0.186 15.47 4 99.7 39.4
37 4 0 -2 19.681 39.363 0.188 14.96 2 38.2 2.8
38 6 0 0 19.755 39.51 0.189 14.84 2 382.8 278.5
39 2 2 2 19.759 39.519 0.189 14.83 4 55.7 11.8
40 3 1 2 19.9 39.799 0.19 14.6 4 70.7 18.7
41 2 4 -1 20.189 40.377 0.193 14.14 4 83.6 25.3
42 2 4 1 20.663 41.327 0.197 13.42 4 112.5 43.5
43 1 3 -2 20.705 41.41 0.198 13.36 4 57.7 11.4
44 5 3 0 21.167 42.333 0.202 12.72 4 68.7 15.4
45 1 3 2 21.17 42.34 0.202 12.71 4 83.5 22.7
46 4 0 2 21.566 43.131 0.205 12.2 2 93.3 13.6
47 4 2 -2 21.65 43.3 0.206 12.09 4 89.4 24.8
48 6 2 0 21.718 43.436 0.207 12.01 4 153.6 72.6
49 4 4 0 22.098 44.196 0.21 11.55 4 114.6 38.9
50 5 3 -1 22.136 44.271 0.211 11.5 4 18.4 1.0
51 5 1 -2 22.378 44.757 0.213 11.22 4 2.9 0.0
52 1 5 0 22.38 44.759 0.213 11.22 4 113.3 36.9
53 3 3 -2 22.38 44.76 0.213 11.22 4 121.4 42.4
54 6 2 -1 22.559 45.117 0.214 11.02 4 23.3 1.5
55 4 4 -1 23.143 46.287 0.22 10.4 4 61.0 9.9
56 5 3 1 23.227 46.453 0.22 10.32 4 62.2 10.2
57 4 2 2 23.405 46.81 0.222 10.14 4 48.6 6.1
58 7 1 0 23.669 47.339 0.224 9.89 4 166.5 70.3
59 3 3 2 23.674 47.348 0.224 9.88 4 13.5 0.5
60 1 5 -1 23.733 47.465 0.225 9.83 4 175.1 77.2
61 6 2 1 23.845 47.69 0.226 9.72 4 37.8 3.6
62 0 4 2 23.908 47.815 0.227 9.66 4 175.7 76.5
63 1 5 1 23.943 47.885 0.227 9.63 4 2.0 0.0
64 4 4 1 23.991 47.981 0.227 9.59 4 80.1 15.8
65 7 1 -1 24.354 48.709 0.231 9.27 4 13.2 0.4
66 1 1 -3 24.361 48.721 0.231 9.26 4 214.5 109.2
67 3 5 0 24.377 48.754 0.231 9.25 4 75.8 13.6
68 6 0 -2 24.462 48.925 0.231 9.17 2 116.0 15.8
69 2 4 -2 24.465 48.93 0.232 9.17 4 62.4 9.2
70 5 1 2 24.506 49.012 0.232 9.14 4 54.6 7.0
71 1 1 3 24.975 49.949 0.236 8.75 4 44.2 4.4
72 2 4 2 25.279 50.558 0.239 8.51 4 80.7 14.2
73 3 5 -1 25.45 50.9 0.24 8.38 4 11.7 0.3
74 3 1 -3 25.651 51.303 0.242 8.23 4 38.1 3.1
75 0 2 3 25.699 51.398 0.242 8.2 4 50.8 5.4
76 7 1 1 25.771 51.541 0.243 8.15 4 164.8 56.7
77 5 3 -2 25.865 51.731 0.244 8.08 4 68.4 9.7
78 2 2 -3 26.032 52.064 0.245 7.96 4 157.4 50.6
79 3 5 1 26.045 52.09 0.245 7.95 4 64.3 8.4
80 6 2 -2 26.145 52.289 0.246 7.88 4 102.2 21.1
81 8 0 0 26.786 53.572 0.252 7.46 2 123.5 14.6
82 6 0 2 26.85 53.7 0.252 7.42 2 117.4 13.1
83 4 4 -2 26.863 53.726 0.253 7.41 4 143.0 38.8
84 0 6 0 26.863 53.726 0.253 7.41 2 172.1 28.1
85 6 4 0 26.921 53.841 0.253 7.38 4 28.3 1.5
86 7 3 0 27.031 54.061 0.254 7.31 4 19.2 0.7
87 2 2 3 27.195 54.39 0.255 7.21 4 9.8 0.2
88 3 1 3 27.4 54.8 0.257 7.09 4 23.0 1.0
89 6 4 -1 27.641 55.282 0.259 6.95 4 44.5 3.5
90 7 3 -1 27.655 55.31 0.259 6.94 4 30.7 1.7
91 1 3 -3 27.661 55.321 0.26 6.93 4 83.3 12.3
92 7 1 -2 27.673 55.346 0.26 6.93 4 45.5 3.7
93 1 5 -2 27.677 55.354 0.26 6.93 4 100.5 17.9
94 2 6 0 27.755 55.51 0.26 6.88 4 121.4 26.0
95 5 3 2 27.793 55.587 0.261 6.86 4 120.6 25.5
96 5 5 0 28.05 56.1 0.263 6.72 4 20.0 0.7
97 1 5 2 28.053 56.105 0.263 6.72 4 9.9 0.2
98 0 6 1 28.148 56.296 0.264 6.67 4 17.6 0.5
99 4 2 -3 28.149 56.298 0.264 6.66 4 97.0 16.1
100 1 3 3 28.223 56.446 0.264 6.63 4 74.2 9.3
101 8 2 0 28.37 56.74 0.266 6.55 4 56.6 5.4
102 4 4 2 28.375 56.75 0.266 6.55 4 27.8 1.3
103 6 2 2 28.432 56.863 0.266 6.52 4 77.9 10.1
104 5 1 -3 28.661 57.322 0.268 6.4 4 66.6 7.3
105 6 4 1 28.76 57.519 0.269 6.35 4 15.6 0.4
106 2 6 -1 28.83 57.661 0.27 6.31 4 14.0 0.3
107 5 5 -1 28.843 57.686 0.27 6.31 4 62.6 6.3
108 3 3 -3 28.846 57.693 0.27 6.31 4 2.7 0.0
109 8 2 -1 28.883 57.767 0.27 6.29 4 72.2 8.4
110 7 3 1 28.957 57.913 0.271 6.25 4 61.9 6.1
111 3 5 -2 29.046 58.091 0.271 6.21 4 16.0 0.4
112 2 6 1 29.197 58.393 0.273 6.14 4 30.1 1.4
113 5 5 1 29.753 59.506 0.277 5.88 4 111.5 18.7
114 3 5 2 30.13 60.261 0.281 5.72 4 109.2 17.5
115 7 1 2 30.239 60.479 0.282 5.67 4 44.9 2.9
116 8 0 -2 30.324 60.648 0.282 5.64 2 240.6 41.8
117 4 6 0 30.327 60.653 0.282 5.64 4 126.5 23.1
118 8 2 1 30.329 60.659 0.282 5.63 4 76.8 8.5
119 4 2 3 30.335 60.67 0.282 5.63 4 79.0 9.0
120 0 4 3 30.402 60.804 0.283 5.6 4 69.6 7.0
121 3 3 3 30.471 60.943 0.283 5.58 4 33.6 1.6
122 2 4 -3 30.701 61.402 0.285 5.48 4 111.5 17.5
123 7 3 -2 30.727 61.454 0.286 5.47 4 12.2 0.2
124 6 4 -2 30.802 61.604 0.286 5.44 4 163.2 37.1
125 9 1 0 30.834 61.669 0.287 5.43 4 95.7 12.8
126 4 6 -1 31.171 62.342 0.289 5.3 4 9.8 0.1
127 9 1 -1 31.235 62.47 0.29 5.28 4 35.0 1.7
128 5 1 3 31.351 62.702 0.291 5.24 4 111.0 16.5
129 5 3 -3 31.655 63.309 0.293 5.13 4 8.8 0.1
130 2 4 3 31.752 63.503 0.294 5.09 4 67.9 6.0
131 8 2 -2 31.795 63.589 0.295 5.08 4 132.1 22.7
132 0 6 2 31.799 63.599 0.295 5.08 4 180.3 42.3
133 6 2 -3 31.814 63.628 0.295 5.07 4 2.2 0.0
134 4 6 1 31.868 63.736 0.295 5.05 4 3.1 0.0
135 5 5 -2 32.016 64.032 0.296 5.0 4 35.8 1.6
136 1 7 0 32.017 64.034 0.296 5.0 4 79.2 8.0
137 2 6 -2 32.263 64.525 0.298 4.92 4 32.6 1.3
138 4 4 -3 32.622 65.244 0.301 4.8 4 148.4 27.1
139 9 1 1 32.79 65.579 0.303 4.75 4 67.7 5.6
140 8 4 0 32.825 65.65 0.303 4.74 4 233.5 66.2
141 0 0 4 32.833 65.666 0.303 4.74 2 285.6 49.5
142 6 4 2 32.881 65.762 0.303 4.72 4 133.9 21.7
143 2 6 2 32.947 65.894 0.304 4.7 4 49.0 2.9
144 2 0 -4 32.949 65.899 0.304 4.7 2 105.3 6.7
145 7 5 0 33.041 66.082 0.305 4.67 4 34.5 1.4
146 1 1 -4 33.048 66.096 0.305 4.67 4 59.4 4.2
147 7 1 -3 33.09 66.181 0.305 4.66 4 98.9 11.7
148 1 7 -1 33.092 66.184 0.305 4.66 4 172.5 35.5
149 8 0 2 33.103 66.205 0.305 4.65 2 141.1 11.9
150 7 3 2 33.148 66.297 0.306 4.64 4 8.6 0.1
151 1 7 1 33.262 66.523 0.307 4.61 4 103.5 12.6
152 8 4 -1 33.297 66.594 0.307 4.6 4 77.8 7.1
153 7 5 -1 33.596 67.192 0.309 4.51 4 54.1 3.4
154 1 5 -3 33.601 67.202 0.309 4.51 4 87.8 8.9
155 3 7 0 33.614 67.228 0.309 4.51 4 75.2 6.5
156 9 3 0 33.715 67.429 0.31 4.48 4 179.3 36.9
157 5 5 2 33.72 67.439 0.31 4.48 4 57.1 3.7
158 1 1 4 33.724 67.447 0.31 4.47 4 87.6 8.8
159 9 1 -2 33.946 67.892 0.312 4.41 4 73.0 6.0
160 3 1 -4 33.953 67.907 0.312 4.41 4 31.6 1.1
161 9 3 -1 34.097 68.194 0.313 4.37 4 35.9 1.4
162 1 5 3 34.104 68.209 0.313 4.37 4 138.7 21.6
163 5 3 3 34.208 68.415 0.314 4.34 4 40.0 1.8
164 0 2 4 34.244 68.488 0.315 4.33 4 32.3 1.2
165 10 0 0 34.286 68.573 0.315 4.32 2 90.7 4.6
166 2 0 4 34.296 68.593 0.315 4.32 2 64.1 2.3
167 4 6 -2 34.303 68.605 0.315 4.32 4 31.1 1.1
168 6 6 0 34.353 68.706 0.315 4.31 4 132.5 19.4
169 2 2 -4 34.358 68.717 0.315 4.3 4 8.3 0.1
170 3 7 -1 34.498 68.995 0.317 4.27 4 60.6 4.0
171 8 2 2 34.508 69.017 0.317 4.27 4 115.2 14.5
172 8 4 1 34.637 69.275 0.318 4.23 4 111.8 13.6
173 4 0 -4 34.638 69.276 0.318 4.23 2 29.2 0.5
174 4 4 3 34.642 69.285 0.318 4.23 4 105.3 12.0
175 3 5 -3 34.665 69.331 0.318 4.23 4 10.2 0.1
176 7 5 1 34.765 69.53 0.319 4.2 4 88.2 8.4
177 6 2 3 34.859 69.717 0.319 4.18 4 64.0 4.4
178 6 6 -1 34.98 69.96 0.32 4.15 4 8.8 0.1
179 3 7 1 34.995 69.99 0.321 4.15 4 48.7 2.5
180 9 3 1 35.587 71.174 0.325 4.01 4 22.9 0.5
181 4 6 2 35.625 71.251 0.326 4.0 4 11.7 0.1
182 10 2 0 35.67 71.34 0.326 3.99 4 6.6 0.0
183 2 2 4 35.68 71.36 0.326 3.99 4 30.7 1.0
184 1 3 -4 35.836 71.672 0.327 3.95 4 8.2 0.1
185 7 3 -3 35.877 71.753 0.328 3.95 4 53.4 2.9
186 3 1 4 35.938 71.876 0.328 3.93 4 118.6 14.2
187 10 2 -1 35.961 71.923 0.328 3.93 4 13.4 0.2
188 6 6 1 35.966 71.932 0.328 3.93 4 72.3 5.3
189 8 4 -2 36.01 72.02 0.329 3.92 4 66.7 4.5
190 4 2 -4 36.016 72.031 0.329 3.92 4 50.9 2.6
191 6 4 -3 36.028 72.056 0.329 3.91 4 4.0 0.0
192 3 5 3 36.145 72.29 0.33 3.89 4 66.3 4.4
193 7 5 -2 36.38 72.76 0.332 3.84 4 74.3 5.4
194 1 7 -2 36.383 72.766 0.332 3.84 4 23.8 0.6
195 5 1 -4 36.384 72.768 0.332 3.84 4 79.0 6.1
196 1 3 4 36.488 72.975 0.332 3.82 4 13.5 0.2
197 7 1 3 36.57 73.139 0.333 3.8 4 111.9 12.2
198 9 3 -2 36.702 73.404 0.334 3.78 4 145.6 20.5
199 5 7 0 36.705 73.411 0.334 3.78 4 80.8 6.3
200 1 7 2 36.708 73.416 0.334 3.78 4 20.3 0.4
201 3 3 -4 36.71 73.419 0.334 3.78 4 124.3 15.0
202 8 2 -3 36.788 73.575 0.335 3.76 4 112.3 12.2
203 9 1 2 36.905 73.811 0.336 3.74 4 75.7 5.5
204 0 8 0 37.048 74.096 0.337 3.71 2 17.7 0.1
205 10 0 -2 37.092 74.185 0.337 3.7 2 76.7 2.8
206 5 5 -3 37.237 74.474 0.338 3.68 4 69.5 4.5
207 4 0 4 37.252 74.505 0.338 3.67 2 1.5 0.0
208 5 7 -1 37.396 74.793 0.339 3.65 4 6.3 0.0
209 0 6 3 37.437 74.875 0.34 3.64 4 85.1 6.8
210 3 7 -2 37.574 75.147 0.341 3.62 4 129.3 15.5
211 10 2 1 37.58 75.161 0.341 3.62 4 49.2 2.2
212 2 6 -3 37.708 75.416 0.342 3.59 4 58.6 3.2
213 6 6 -2 37.8 75.6 0.343 3.58 4 138.7 17.6
214 2 8 0 37.801 75.603 0.343 3.58 4 39.9 1.5
215 6 0 -4 37.802 75.605 0.343 3.58 2 146.4 9.8
216 0 8 1 38.137 76.274 0.345 3.52 4 41.6 1.6
217 5 7 1 38.198 76.396 0.346 3.51 4 71.2 4.6
218 0 4 4 38.335 76.669 0.347 3.49 4 8.2 0.1
219 10 2 -2 38.435 76.87 0.347 3.47 4 74.1 4.9
220 2 4 -4 38.444 76.888 0.348 3.47 4 176.9 27.8
221 3 7 2 38.533 77.067 0.348 3.46 4 118.9 12.5
222 8 4 2 38.588 77.175 0.349 3.45 4 49.1 2.1
223 4 2 4 38.593 77.186 0.349 3.45 4 17.8 0.3
224 11 1 0 38.625 77.25 0.349 3.45 4 60.7 3.3
225 7 5 2 38.631 77.261 0.349 3.44 4 66.1 3.9
226 3 3 4 38.636 77.271 0.349 3.44 4 144.2 18.3
227 2 6 3 38.667 77.333 0.349 3.44 4 29.0 0.7
228 2 8 -1 38.724 77.449 0.35 3.43 4 53.8 2.5
229 9 1 -3 38.733 77.466 0.35 3.43 4 12.0 0.1
230 11 1 -1 38.829 77.657 0.35 3.41 4 32.8 0.9
231 6 4 3 38.923 77.846 0.351 3.4 4 3.2 0.0
232 2 8 1 39.042 78.084 0.352 3.38 4 89.4 6.9
233 5 3 -4 39.071 78.141 0.352 3.38 4 19.4 0.3
234 6 2 -4 39.137 78.274 0.353 3.37 4 14.7 0.2
235 9 5 0 39.163 78.327 0.353 3.37 4 32.7 0.9
236 7 3 3 39.252 78.504 0.354 3.35 4 2.9 0.0
237 4 6 -3 39.468 78.937 0.355 3.32 4 10.5 0.1
238 9 5 -1 39.524 79.049 0.356 3.32 4 0.2 0.0
239 9 3 2 39.58 79.16 0.356 3.31 4 75.7 4.9
240 5 1 4 39.586 79.172 0.356 3.31 4 75.2 4.8
241 5 5 3 39.629 79.258 0.357 3.3 4 55.5 2.6
242 8 6 0 39.656 79.313 0.357 3.3 4 113.9 11.0
243 10 4 0 39.704 79.407 0.357 3.29 4 10.8 0.1
244 6 6 2 39.709 79.417 0.357 3.29 4 128.6 14.0
245 2 4 4 39.713 79.426 0.357 3.29 4 102.4 8.8
246 10 4 -1 39.984 79.969 0.359 3.26 4 73.1 4.5
247 4 8 0 40.034 80.068 0.36 3.25 4 70.5 4.1
248 4 4 -4 40.037 80.074 0.36 3.25 4 52.6 2.3
249 8 6 -1 40.095 80.19 0.36 3.24 4 50.7 2.1
250 5 7 -2 40.233 80.467 0.361 3.23 4 53.9 2.4
251 7 1 -4 40.234 80.468 0.361 3.23 4 17.6 0.3
252 10 0 2 40.276 80.553 0.361 3.22 2 11.1 0.1
253 11 1 1 40.566 81.133 0.364 3.19 4 41.9 1.4
254 8 2 3 40.609 81.218 0.364 3.18 4 18.9 0.3
255 8 4 -3 40.784 81.568 0.365 3.16 4 96.0 7.5
256 4 8 -1 40.786 81.571 0.365 3.16 4 44.5 1.6
257 9 5 1 40.941 81.883 0.366 3.14 4 12.6 0.1
258 11 1 -2 41.169 82.338 0.368 3.12 4 96.9 7.5
259 7 7 0 41.173 82.346 0.368 3.12 4 90.0 6.5
260 1 5 -4 41.179 82.359 0.368 3.12 4 47.3 1.8
261 7 5 -3 41.218 82.437 0.368 3.11 4 55.1 2.4
262 11 3 0 41.267 82.533 0.369 3.11 4 59.9 2.9
263 0 8 2 41.351 82.701 0.369 3.1 4 52.5 2.2
264 8 6 1 41.351 82.702 0.369 3.1 4 64.8 3.3
265 4 6 3 41.356 82.712 0.369 3.1 4 54.2 2.3
266 9 3 -3 41.373 82.746 0.369 3.1 4 70.8 4.0
267 4 8 1 41.413 82.825 0.37 3.09 4 86.2 5.9
268 11 3 -1 41.467 82.934 0.37 3.09 4 64.9 3.3
269 10 4 1 41.554 83.109 0.371 3.08 4 84.8 5.7
270 10 2 2 41.589 83.179 0.371 3.08 4 14.6 0.2
271 6 0 4 41.596 83.192 0.371 3.08 2 271.8 29.1
272 7 7 -1 41.686 83.373 0.372 3.07 4 83.9 5.5
273 1 7 -3 41.691 83.382 0.372 3.07 4 161.0 20.4
274 2 8 -2 41.77 83.541 0.372 3.06 4 63.5 3.2
275 5 7 2 41.801 83.602 0.373 3.06 4 38.4 1.2
276 1 5 4 41.805 83.61 0.373 3.06 4 25.0 0.5
277 9 5 -2 42.012 84.023 0.374 3.04 4 33.9 0.9
278 3 5 -4 42.019 84.038 0.374 3.04 4 67.0 3.5
279 1 7 3 42.16 84.319 0.375 3.02 4 137.2 14.6
280 5 3 4 42.214 84.427 0.376 3.02 4 33.7 0.9
281 8 0 -4 42.344 84.688 0.377 3.01 2 3.1 0.0
282 10 4 -2 42.388 84.776 0.377 3.0 4 101.7 8.0
283 2 8 2 42.395 84.789 0.377 3.0 4 56.3 2.4
284 12 0 0 42.531 85.063 0.378 2.99 2 141.7 7.7
285 4 4 4 42.543 85.086 0.378 2.99 4 94.7 6.9
286 8 6 -2 42.653 85.307 0.379 2.98 4 36.4 1.0
287 6 6 -3 42.671 85.341 0.379 2.98 4 67.5 3.5
288 3 7 -3 42.685 85.369 0.379 2.98 4 50.8 2.0
289 7 7 1 42.778 85.557 0.38 2.97 4 118.6 10.7
290 1 1 -5 42.786 85.572 0.38 2.97 4 11.3 0.1
291 7 3 -4 42.854 85.707 0.38 2.97 4 67.2 3.4
292 1 9 0 42.854 85.707 0.38 2.97 4 21.8 0.4
293 6 2 4 42.902 85.804 0.381 2.96 4 112.0 9.5
294 9 1 3 42.973 85.946 0.381 2.96 4 9.8 0.1
295 10 2 -3 42.978 85.956 0.381 2.96 4 87.4 5.8
296 6 4 -4 43.076 86.151 0.382 2.95 4 13.4 0.1
297 11 3 1 43.183 86.365 0.383 2.94 4 0.5 0.0
298 3 1 -5 43.466 86.932 0.385 2.92 4 1.4 0.0
299 1 1 5 43.564 87.128 0.385 2.91 4 16.8 0.2
300 8 2 -4 43.647 87.294 0.386 2.91 4 2.3 0.0
301 4 8 -2 43.648 87.296 0.386 2.91 4 20.6 0.3
302 6 8 0 43.695 87.389 0.386 2.9 4 29.1 0.6
303 11 3 -2 43.78 87.559 0.387 2.9 4 133.4 13.2
304 1 9 -1 43.83 87.661 0.387 2.9 4 9.6 0.1
305 12 2 0 43.834 87.668 0.387 2.89 4 54.3 2.2
306 3 5 4 43.887 87.774 0.388 2.89 4 12.2 0.1
307 2 2 -5 43.92 87.84 0.388 2.89 4 77.6 4.5
308 12 2 -1 43.955 87.91 0.388 2.89 4 45.7 1.5
309 0 2 5 43.969 87.938 0.388 2.89 4 40.5 1.2
310 1 9 1 43.986 87.972 0.388 2.89 4 30.4 0.7
311 3 7 3 44.084 88.169 0.389 2.88 4 5.6 0.0
312 6 8 -1 44.282 88.564 0.39 2.87 4 13.5 0.1
313 7 7 -2 44.308 88.617 0.39 2.87 4 16.4 0.2
314 3 9 0 44.31 88.621 0.39 2.87 4 13.2 0.1
315 5 5 -4 44.312 88.624 0.39 2.87 4 62.2 2.8
316 7 5 3 44.49 88.98 0.392 2.86 4 86.1 5.4
317 8 4 3 44.525 89.051 0.392 2.85 4 79.1 4.6
318 11 1 2 44.596 89.192 0.392 2.85 4 67.0 3.3
319 7 1 4 44.603 89.206 0.393 2.85 4 68.9 3.5
320 9 5 2 44.812 89.624 0.394 2.84 4 68.1 3.4
321 12 0 -2 44.882 89.764 0.394 2.83 2 46.1 0.8
322 4 8 2 44.891 89.781 0.395 2.83 4 78.2 4.4
323 0 6 4 44.894 89.788 0.395 2.83 4 32.2 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 5.397 10.793 9.51068 591.1 100.0 100.0 5.6
2 2 0 0 6.469 12.938 7.93907 87.3 14.8 14.7 5.6
3 0 2 0 8.663 17.326 5.9385 493.2 83.4 83.1 5.6
4 1 1 -1 9.255 18.509 5.56186 98.5 16.7 16.6 5.6
5 1 1 1 9.732 19.463 5.29155 25.9 4.4 4.4 5.6
6 3 1 0 10.662 21.325 4.83442 277.5 46.9 46.6 5.6
7 2 2 0 10.842 21.683 4.75534 9.0 1.5 1.5 5.6
8 0 2 1 11.691 23.382 4.41421 52.2 8.8 8.8 5.6
9 2 2 -1 13.057 26.115 3.95905 47.3 8.0 7.9 5.6
10 2 2 1 13.746 27.492 3.76426 40.1 6.8 6.7 5.6
11 1 3 -1 15.48 30.96 3.35128 110.0 18.6 18.3 5.6
12 0 0 2 15.729 31.459 3.29944 99.8 16.9 16.6 5.6
13 1 3 1 15.779 31.558 3.2893 10.6 1.8 1.8 5.6
14 3 3 0 16.388 32.776 3.17023 408.8 69.2 68.1 5.6
15 2 0 -2 16.511 33.021 3.14736 214.9 36.4 35.8 5.6
16 1 1 2 16.955 33.911 3.06712 321.9 54.5 53.6 5.7
17 0 4 0 17.532 35.064 2.96925 34.2 5.8 5.7 5.7
18 2 0 2 17.618 35.235 2.95529 224.2 37.9 37.3 5.7
19 3 3 -1 17.846 35.691 2.91875 14.3 2.4 2.4 5.7
20 0 2 2 18.067 36.134 2.88417 36.8 6.2 6.1 5.7
21 3 1 -2 18.396 36.792 2.83428 111.7 18.9 18.5 5.7
22 2 4 0 18.761 37.522 2.7811 353.9 59.9 58.7 5.7
23 0 4 1 19.289 38.578 2.70776 14.3 2.4 2.4 5.7
24 5 1 1 19.384 38.768 2.69501 39.4 6.7 6.5 5.7
25 6 0 0 19.755 39.51 2.64636 290.3 49.1 48.1 5.7
26 3 1 2 19.9 39.799 2.62788 18.7 3.2 3.1 5.7
27 2 4 -1 20.189 40.377 2.59179 25.3 4.3 4.2 5.7
28 2 4 1 20.663 41.327 2.53476 43.5 7.4 7.2 5.7
29 1 3 -2 20.705 41.41 2.52991 11.4 1.9 1.9 5.7
30 1 3 2 21.17 42.34 2.47679 38.1 6.4 6.3 5.7
31 4 0 2 21.566 43.131 2.43346 13.6 2.3 2.2 5.7
32 4 2 -2 21.65 43.3 2.42443 24.8 4.2 4.1 5.7
33 6 2 0 21.718 43.436 2.41721 72.6 12.3 12.0 5.7
34 4 4 0 22.098 44.196 2.37767 38.9 6.6 6.4 5.7
35 3 3 -2 22.38 44.76 2.34923 79.3 13.4 13.1 5.7
36 4 4 -1 23.143 46.287 2.2758 9.9 1.7 1.6 5.7
37 5 3 1 23.227 46.453 2.26808 10.2 1.7 1.7 5.7
38 4 2 2 23.405 46.81 2.25174 6.1 1.0 1.0 5.7
39 7 1 0 23.669 47.339 2.22804 70.7 12.0 11.6 5.7
40 1 5 -1 23.733 47.465 2.22242 77.2 13.1 12.7 5.7
41 0 4 2 23.908 47.815 2.20711 76.5 12.9 12.5 5.7
42 4 4 1 23.991 47.981 2.19992 15.8 2.7 2.6 5.7
43 1 1 -3 24.361 48.721 2.1685 122.8 20.8 20.1 5.7
44 6 0 -2 24.462 48.925 2.16003 25.0 4.2 4.1 5.7
45 5 1 2 24.506 49.012 2.15644 7.0 1.2 1.1 5.7
46 2 4 2 25.279 50.558 2.09462 14.2 2.4 2.3 5.8
47 7 1 1 25.771 51.541 2.05732 56.7 9.6 9.3 5.8
48 5 3 -2 25.865 51.731 2.05029 9.7 1.6 1.6 5.8
49 2 2 -3 26.032 52.064 2.03809 59.0 10.0 9.6 5.8
50 6 2 -2 26.145 52.289 2.02992 21.1 3.6 3.4 5.8
51 8 0 0 26.786 53.572 1.98477 14.6 2.5 2.4 5.8
52 0 6 0 26.863 53.726 1.9795 80.1 13.5 13.0 5.8
53 1 5 -2 27.677 55.354 1.9257 39.1 6.6 6.4 5.8
54 2 6 0 27.755 55.51 1.9207 26.0 4.4 4.2 5.8
55 5 3 2 27.793 55.587 1.91827 25.5 4.3 4.2 5.8
56 4 2 -3 28.149 56.298 1.896 16.1 2.7 2.6 5.8
57 1 3 3 28.223 56.446 1.89141 9.3 1.6 1.5 5.8
58 8 2 0 28.37 56.74 1.88241 6.7 1.1 1.1 5.8
59 6 2 2 28.432 56.863 1.87869 10.1 1.7 1.6 5.8
60 5 1 -3 28.661 57.322 1.86491 7.3 1.2 1.2 5.8
61 5 5 -1 28.843 57.686 1.85413 6.4 1.1 1.0 5.8
62 8 2 -1 28.883 57.767 1.85177 8.4 1.4 1.4 5.8
63 7 3 1 28.957 57.913 1.8475 6.1 1.0 1.0 5.8
64 5 5 1 29.753 59.506 1.80241 18.7 3.2 3.0 5.8
65 3 5 2 30.13 60.261 1.7819 17.5 3.0 2.8 5.8
66 8 0 -2 30.324 60.648 1.77161 82.4 13.9 13.3 5.8
67 0 4 3 30.402 60.804 1.76747 7.0 1.2 1.1 5.8
68 2 4 -3 30.701 61.402 1.75193 17.7 3.0 2.8 5.8
69 6 4 -2 30.802 61.604 1.74673 37.1 6.3 6.0 5.8
70 9 1 0 30.834 61.669 1.74509 12.8 2.2 2.1 5.8
71 5 1 3 31.351 62.702 1.7192 16.5 2.8 2.7 5.8
72 2 4 3 31.752 63.503 1.69972 6.0 1.0 1.0 5.9
73 0 6 2 31.799 63.599 1.69744 65.0 11.0 10.4 5.9
74 1 7 0 32.017 64.034 1.68711 9.7 1.6 1.6 5.9
75 4 4 -3 32.622 65.244 1.6592 27.1 4.6 4.3 5.9
76 8 4 0 32.825 65.65 1.65007 115.7 19.6 18.5 5.9
77 6 4 2 32.881 65.762 1.64756 21.7 3.7 3.5 5.9
78 2 0 -4 32.949 65.899 1.64454 9.6 1.6 1.5 5.9
79 8 0 2 33.103 66.205 1.63779 59.1 10.0 9.4 5.9
80 1 7 1 33.262 66.523 1.63085 12.6 2.1 2.0 5.9
81 8 4 -1 33.297 66.594 1.62932 7.1 1.2 1.1 5.9
82 3 7 0 33.614 67.228 1.61572 18.8 3.2 3.0 5.9
83 9 3 0 33.715 67.429 1.61147 49.4 8.4 7.9 5.9
84 9 1 -2 33.946 67.892 1.6018 7.2 1.2 1.1 5.9
85 1 5 3 34.104 68.209 1.59525 23.0 3.9 3.7 5.9
86 10 0 0 34.286 68.573 1.58781 7.9 1.3 1.3 5.9
87 6 6 0 34.353 68.706 1.58511 19.5 3.3 3.1 5.9
88 8 2 2 34.508 69.017 1.57885 18.5 3.1 2.9 5.9
89 8 4 1 34.637 69.275 1.5737 26.2 4.4 4.2 5.9
90 7 5 1 34.765 69.53 1.56864 8.4 1.4 1.3 5.9
91 3 1 4 35.938 71.876 1.52402 19.6 3.3 3.1 5.9
92 8 4 -2 36.01 72.02 1.52138 7.1 1.2 1.1 5.9
93 5 1 -4 36.384 72.768 1.50787 12.1 2.1 1.9 6.0
94 7 1 3 36.57 73.139 1.50127 12.2 2.1 1.9 6.0
95 9 3 -2 36.702 73.404 1.49661 42.2 7.1 6.7 6.0
96 8 2 -3 36.788 73.575 1.49363 12.2 2.1 1.9 6.0
97 0 6 3 37.437 74.875 1.47141 6.8 1.1 1.1 6.0
98 3 7 -2 37.574 75.147 1.46685 17.7 3.0 2.8 6.0
99 6 6 -2 37.8 75.6 1.45937 28.9 4.9 4.5 6.0
100 2 4 -4 38.444 76.888 1.43862 32.7 5.5 5.1 6.0
101 3 7 2 38.533 77.067 1.4358 12.5 2.1 2.0 6.0
102 3 3 4 38.636 77.271 1.43259 25.5 4.3 4.0 6.0
103 2 8 1 39.042 78.084 1.42003 7.3 1.2 1.1 6.0
104 9 3 2 39.58 79.16 1.40383 9.7 1.6 1.5 6.0
105 8 6 0 39.656 79.313 1.40158 13.6 2.3 2.1 6.0
106 6 6 2 39.709 79.417 1.40004 22.8 3.9 3.6 6.0
107 4 8 0 40.034 80.068 1.39055 6.5 1.1 1.0 6.0
108 8 4 -3 40.784 81.568 1.36933 9.1 1.5 1.4 6.1
109 11 1 -2 41.169 82.338 1.35878 15.8 2.7 2.4 6.1
110 9 3 -3 41.373 82.746 1.35328 11.8 2.0 1.8 6.1
111 6 0 4 41.596 83.192 1.34733 29.1 4.9 4.5 6.1
112 1 7 -3 41.691 83.382 1.34482 25.9 4.4 4.0 6.1
113 1 7 3 42.16 84.319 1.33263 14.6 2.5 2.2 6.1
114 10 4 -2 42.388 84.776 1.3268 10.4 1.8 1.6 6.1
115 12 0 0 42.531 85.063 1.32318 14.6 2.5 2.2 6.1
116 6 6 -3 42.671 85.341 1.31968 6.5 1.1 1.0 6.1
117 7 7 1 42.778 85.557 1.317 10.8 1.8 1.7 6.1
118 6 2 4 42.902 85.804 1.31394 9.5 1.6 1.5 6.1
119 11 3 -2 43.78 87.559 1.29278 13.2 2.2 2.0 6.2
120 7 1 4 44.603 89.206 1.27381 6.7 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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