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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PASEROITE
1, s-crichtonite
(Pb,Sr)(Mn++,Zn)(Mn++,Fe++)(2)(V+++++,Ti,Fe+++)(18)O(38)
Hexagonal R 3(-) Z = 3
R3(-)
28 .3 .13
Ref.Str.:
Mills S.J., Bindi L., Cadoni M., Kampf A.R. Ciriotti M.E.,
Ferraris G. (2012) * Eur. J. Mineral., 24, 1061-1067
R: from the Molinello mine,Val Graveglia, Italy.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.3894 alpha = 90.0
b = 10.3894 beta = 90.0
c = 20.8709 gamma = 120.0
Unit cell volume (cub. angs.) = 1950.98
Molar volume ( cub.cm/mol.) = 391.72
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 Pb = 0.61, Sr = 0.39
2 0.0 0.0 0.5 0.0 Mn = 0.79, Zn = 0.19, U = 0.02
3 0.0 0.0 0.3104 0.0 Mn = 0.54, Fe = 0.37, Na = 0.09
4 0.1851 0.0442 0.165 0.0 V = 0.43, Ti = 0.39, Fe = 0.02
5 0.0838 0.3399 0.6088 0.0 V = 0.43, Ti = 0.39, Fe = 0.02
6 0.0759 0.3154 0.389 0.0 V = 0.43, Ti = 0.39, Fe = 0.02
7 0.1333 0.1888 0.5585 0.0 O = 1.00
8 0.7109 0.205 0.4465 0.0 O = 1.00
9 0.3616 0.102 0.5572 0.0 O = 1.00
10 0.593 0.0332 0.548 0.0 O = 1.00
11 0.0525 0.8531 0.3363 0.0 O = 1.00
12 0.3653 0.0985 0.3386 0.0 O = 1.00
13 0.0 0.0 0.2133 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.0 0.5
3 3 0.0 0.0 0.3104
4 4 0.1851 0.0442 0.165
5 5 0.0838 0.3399 0.6088
6 6 0.0759 0.3154 0.389
7 7 0.1333 0.1888 0.5585
8 8 0.7109 0.205 0.4465
9 9 0.3616 0.102 0.5572
10 10 0.593 0.0332 0.548
11 11 0.0525 0.8531 0.3363
12 12 0.3653 0.0985 0.3386
13 13 0.0 0.0 0.2133
14 4 0.9558 0.1409 0.165
15 4 0.8591 0.8149 0.165
16 5 0.6601 0.744 0.6088
17 5 0.256 0.9162 0.6088
18 6 0.6846 0.7605 0.389
19 6 0.2395 0.9241 0.389
20 7 0.8112 0.9445 0.5585
21 7 0.0555 0.8667 0.5585
22 8 0.795 0.5059 0.4465
23 8 0.4941 0.2891 0.4465
24 9 0.898 0.2596 0.5572
25 9 0.7404 0.6384 0.5572
26 10 0.9668 0.5598 0.548
27 10 0.4402 0.407 0.548
28 11 0.1469 0.1994 0.3363
29 11 0.8006 0.9475 0.3363
30 12 0.9015 0.2668 0.3386
31 12 0.7332 0.6347 0.3386
32 1 0.6667 0.3333 0.3333
33 1 0.3333 0.6667 0.6667
34 2 0.6667 0.3333 0.8333
35 2 0.3333 0.6667 0.1667
36 3 0.6667 0.3333 0.6437
37 3 0.3333 0.6667 0.977
38 4 0.6224 0.4742 0.4983
39 4 0.1925 0.4816 0.8316
40 5 0.3268 0.0773 0.9421
41 5 0.5893 0.5828 0.2755
42 6 0.3512 0.0938 0.7223
43 6 0.5728 0.5907 0.0556
44 7 0.4779 0.2778 0.8918
45 7 0.3888 0.5334 0.2252
46 8 0.4617 0.8392 0.7798
47 8 0.8274 0.9558 0.1132
48 9 0.5647 0.5929 0.8905
49 9 0.0737 0.3051 0.2239
50 10 0.6335 0.8931 0.8813
51 10 0.7735 0.0737 0.2147
52 11 0.8136 0.5327 0.6696
53 11 0.1339 0.6142 0.003
54 12 0.5682 0.6001 0.6719
55 12 0.0665 0.3014 0.0053
56 13 0.6667 0.3333 0.5466
57 13 0.3333 0.6667 0.88
58 4 0.5258 0.1482 0.4983
59 4 0.5184 0.7109 0.8316
60 4 0.8518 0.3776 0.4983
61 4 0.2891 0.8075 0.8316
62 5 0.9227 0.2495 0.9421
63 5 0.4172 0.0065 0.2755
64 5 0.7505 0.6732 0.9421
65 5 0.9935 0.4106 0.2755
66 6 0.9062 0.2574 0.7223
67 6 0.4093 0.9821 0.0556
68 6 0.7426 0.6488 0.7223
69 6 0.0179 0.4272 0.0556
70 7 0.7222 0.2 0.8918
71 7 0.4666 0.8555 0.2252
72 7 0.8 0.5221 0.8918
73 7 0.1445 0.6111 0.2252
74 8 0.1608 0.6224 0.7798
75 8 0.0442 0.8717 0.1132
76 8 0.3776 0.5383 0.7798
77 8 0.1283 0.1725 0.1132
78 9 0.4071 0.9717 0.8905
79 9 0.6949 0.7687 0.2239
80 9 0.0283 0.4353 0.8905
81 9 0.2313 0.9262 0.2239
82 10 0.1069 0.7403 0.8813
83 10 0.9263 0.6999 0.2147
84 10 0.2597 0.3665 0.8813
85 10 0.3001 0.2264 0.2147
86 11 0.4673 0.2808 0.6696
87 11 0.3858 0.5198 0.003
88 11 0.7192 0.1864 0.6696
89 11 0.4802 0.866 0.003
90 12 0.3999 0.968 0.6719
91 12 0.6986 0.7652 0.0053
92 12 0.032 0.4318 0.6719
93 12 0.2348 0.9334 0.0053
94 3 0.0 0.0 0.6896
95 4 0.8149 0.9558 0.835
96 5 0.9161 0.6601 0.3912
97 6 0.924 0.6846 0.611
98 7 0.8667 0.8112 0.4415
99 8 0.2891 0.795 0.5535
100 9 0.6384 0.898 0.4428
101 10 0.407 0.9668 0.452
102 11 0.9475 0.1469 0.6637
103 12 0.6347 0.9015 0.6614
104 13 0.0 0.0 0.7867
105 4 0.0442 0.8591 0.835
106 4 0.1409 0.1851 0.835
107 5 0.3399 0.256 0.3912
108 5 0.744 0.0838 0.3912
109 6 0.3154 0.2395 0.611
110 6 0.7605 0.0759 0.611
111 7 0.1888 0.0555 0.4415
112 7 0.9445 0.1333 0.4415
113 8 0.205 0.4941 0.5535
114 8 0.5059 0.7109 0.5535
115 9 0.102 0.7404 0.4428
116 9 0.2596 0.3616 0.4428
117 10 0.0332 0.4402 0.452
118 10 0.5598 0.593 0.452
119 11 0.8531 0.8006 0.6637
120 11 0.1994 0.0525 0.6637
121 12 0.0985 0.7332 0.6614
122 12 0.2668 0.3653 0.6614
123 3 0.3333 0.6667 0.3563
124 3 0.6667 0.3333 0.023
125 4 0.3776 0.5258 0.5017
126 4 0.8076 0.5184 0.1684
127 5 0.6732 0.9227 0.0579
128 5 0.4107 0.4172 0.7245
129 6 0.6488 0.9062 0.2777
130 6 0.4272 0.4093 0.9444
131 7 0.5221 0.7222 0.1082
132 7 0.6112 0.4666 0.7748
133 8 0.5383 0.1608 0.2202
134 8 0.1726 0.0442 0.8868
135 9 0.4353 0.4071 0.1095
136 9 0.9263 0.6949 0.7761
137 10 0.3665 0.1069 0.1187
138 10 0.2265 0.9263 0.7853
139 11 0.1864 0.4673 0.3304
140 11 0.8661 0.3858 0.997
141 12 0.4318 0.3999 0.3281
142 12 0.9335 0.6986 0.9947
143 13 0.3333 0.6667 0.4534
144 13 0.6667 0.3333 0.12
145 4 0.4742 0.8518 0.5017
146 4 0.4816 0.2891 0.1684
147 4 0.1482 0.6224 0.5017
148 4 0.7109 0.1925 0.1684
149 5 0.0773 0.7505 0.0579
150 5 0.5828 0.9935 0.7245
151 5 0.2495 0.3268 0.0579
152 5 0.0065 0.5894 0.7245
153 6 0.0938 0.7426 0.2777
154 6 0.5907 0.0179 0.9444
155 6 0.2574 0.3512 0.2777
156 6 0.9821 0.5728 0.9444
157 7 0.2778 0.8 0.1082
158 7 0.5334 0.1445 0.7748
159 7 0.2 0.4779 0.1082
160 7 0.8555 0.3889 0.7748
161 8 0.8392 0.3776 0.2202
162 8 0.9558 0.1283 0.8868
163 8 0.6224 0.4617 0.2202
164 8 0.8717 0.8275 0.8868
165 9 0.5929 0.0283 0.1095
166 9 0.3051 0.2313 0.7761
167 9 0.9717 0.5647 0.1095
168 9 0.7687 0.0738 0.7761
169 10 0.8931 0.2597 0.1187
170 10 0.0737 0.3001 0.7853
171 10 0.7403 0.6335 0.1187
172 10 0.6999 0.7736 0.7853
173 11 0.5327 0.7192 0.3304
174 11 0.6142 0.4802 0.997
175 11 0.2808 0.8136 0.3304
176 11 0.5198 0.134 0.997
177 12 0.6001 0.032 0.3281
178 12 0.3014 0.2348 0.9947
179 12 0.968 0.5682 0.3281
180 12 0.7652 0.0666 0.9947
X-ray density (g/cm cub.) = 4.3
MU (1/cm) = 776.222 Mass attenuation coefficient (cm**2/g) = 180.52
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Sr 3.144 12
2.86 8
2.8511 12
2.86 8
2.8599 8
2.8512 12
2.8511 12
2.86 8
2.8511 12
2.86 8
2.8599 8
2.8512 12
2.8511 12
2 Mn ,Zn ,U 2.88 6
2.1307 7
2.1306 7
2.1307 7
2.1307 7
2.1306 7
2.1307 7
3 Mn ,Fe ,Na 2.808 4
1.937 11
2.0259 13
1.937 11
1.9369 11
4 V ,Ti ,Fe 2.592 6
2.0107 13
1.9754 8
2.0204 8
1.9574 9
1.9558 10
1.9195 10
5 V ,Ti ,Fe 2.592 6
2.1533 7
1.9935 9
1.8584 12
2.1209 11
1.8623 8
2.0939 12
6 V ,Ti ,Fe 2.592 6
2.0234 11
1.9312 12
2.0159 7
2.0536 9
2.0455 10
1.8684 11
7 O 3.264 12
2.929 9
3.0244 7
3.0244 7
2.8837 9
2.8506 10
2.81 11
3.0019 7
3.002 7
2.8748 8
2.9017 9
2.8757 11
2.712 12
8 O 3.264 11
2.6434 10
2.7936 8
2.7936 8
2.8872 9
2.8519 12
2.6399 13
2.8886 9
2.8797 10
2.8746 7
3.0024 10
2.9321 12
9 O 3.264 12
2.929 7
2.8365 10
2.8837 7
2.8872 8
2.856 10
2.8727 13
2.8502 11
2.8952 12
2.8886 8
2.7711 10
2.9018 7
2.6793 11
10 O 3.264 12
2.6434 8
2.8365 9
2.8506 7
2.856 9
2.8148 13
2.9343 11
3.1331 12
2.8797 8
2.7711 9
2.6252 10
2.873 12
3.0024 8
11 O 3.264 12
2.9628 12
3.1701 13
3.2214 11
3.2214 11
2.9373 12
2.8503 9
2.9345 10
2.81 7
2.8758 7
2.6792 9
2.6051 11
2.6392 12
12 O 3.264 11
2.9628 11
2.8519 8
2.9373 11
2.8955 9
3.1332 10
2.873 10
2.7121 7
2.9321 8
2.8575 12
2.6392 11
2.8575 12
13 O 3.264 12
3.1701 11
3.17 11
3.17 11
2.64 8
2.8727 9
2.8148 10
2.64 8
2.6399 8
2.8729 9
2.8728 9
2.8149 10
2.8147 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 1 0 1 6.215 12.43 0.061 167.69 6 102.9 279.8
2 0 0 3 7.387 14.774 0.072 118.04 2 182.5 206.6
3 1 0 -2 7.543 15.085 0.073 113.13 6 63.3 71.4
4 1 1 0 9.915 19.83 0.096 64.54 6 166.9 283.5
5 1 0 4 11.43 22.86 0.111 48.04 6 29.3 6.5
6 2 0 -1 11.735 23.471 0.114 45.46 6 142.4 145.3
7 1 1 -3 12.409 24.818 0.12 40.44 6 23.9 3.6
8 1 1 3 12.409 24.818 0.12 40.44 6 41.2 10.8
9 2 0 2 12.504 25.009 0.121 39.8 6 181.8 207.4
10 1 0 -5 13.664 27.327 0.132 33.0 6 164.1 140.0
11 0 0 6 14.9 29.801 0.144 27.43 2 313.8 141.9
12 2 0 -4 15.22 30.44 0.147 26.21 6 487.2 981.0
13 1 2 -1 15.455 30.911 0.149 25.36 6 2.3 0.0
14 2 1 1 15.455 30.911 0.149 25.36 6 73.0 21.3
15 1 2 2 16.059 32.119 0.155 23.35 6 77.3 22.0
16 2 1 -2 16.059 32.119 0.155 23.35 6 123.1 55.8
17 2 0 5 16.997 33.993 0.163 20.65 6 250.9 204.9
18 3 0 0 17.352 34.703 0.167 19.74 6 408.9 520.4
19 1 1 -6 18.027 36.054 0.173 18.16 6 432.5 535.4
20 1 1 6 18.027 36.054 0.173 18.16 6 429.4 527.9
21 1 2 -4 18.298 36.595 0.175 17.57 6 81.2 18.3
22 2 1 4 18.298 36.595 0.175 17.57 6 467.6 605.7
23 1 0 7 18.424 36.847 0.177 17.31 6 221.4 133.8
24 3 0 -3 18.952 37.903 0.182 16.27 6 380.0 370.2
25 3 0 3 18.952 37.903 0.182 16.27 6 335.8 289.2
26 1 2 5 19.832 39.664 0.19 14.71 6 234.4 127.4
27 2 1 -5 19.832 39.664 0.19 14.71 6 265.4 163.4
28 2 2 0 20.144 40.287 0.193 14.21 6 286.1 183.3
29 1 0 -8 20.915 41.829 0.2 13.07 6 60.3 7.5
30 2 0 -7 21.094 42.188 0.201 12.82 6 107.3 23.3
31 1 3 1 21.161 42.322 0.202 12.73 6 244.6 120.0
32 3 1 -1 21.161 42.322 0.202 12.73 6 174.5 61.1
33 2 2 -3 21.567 43.134 0.205 12.2 6 316.6 192.7
34 2 2 3 21.567 43.134 0.205 12.2 6 282.5 153.4
35 1 3 -2 21.626 43.251 0.206 12.12 6 253.7 123.0
36 3 1 2 21.626 43.251 0.206 12.12 6 140.1 37.5
37 0 0 9 22.688 45.376 0.216 10.88 2 14.6 0.1
38 3 0 -6 23.19 46.38 0.22 10.35 6 166.1 45.0
39 3 0 6 23.19 46.38 0.22 10.35 6 73.9 8.9
40 2 0 8 23.349 46.698 0.222 10.2 6 55.5 5.0
41 1 3 4 23.411 46.822 0.222 10.13 6 531.3 451.0
42 3 1 -4 23.411 46.822 0.222 10.13 6 378.7 229.2
43 1 2 -7 23.514 47.028 0.223 10.03 6 169.0 45.2
44 2 1 7 23.514 47.028 0.223 10.03 6 137.9 30.1
45 4 0 1 23.575 47.15 0.224 9.98 6 142.3 31.8
46 4 0 -2 24.003 48.006 0.227 9.58 6 101.5 15.6
47 1 3 -5 24.683 49.367 0.233 8.99 6 660.4 617.8
48 3 1 5 24.683 49.367 0.233 8.99 6 203.6 58.7
49 1 1 -9 24.986 49.972 0.236 8.74 6 299.9 123.9
50 1 1 9 24.986 49.972 0.236 8.74 6 185.9 47.6
51 2 2 -6 25.454 50.908 0.24 8.38 6 148.7 29.2
52 2 2 6 25.454 50.908 0.24 8.38 6 152.0 30.5
53 1 2 8 25.602 51.205 0.242 8.27 6 71.9 6.7
54 2 1 -8 25.602 51.205 0.242 8.27 6 111.7 16.3
55 4 0 4 25.66 51.32 0.242 8.23 6 118.5 18.2
56 2 3 -1 25.813 51.627 0.243 8.12 6 100.4 12.9
57 3 2 1 25.813 51.627 0.243 8.12 6 115.5 17.1
58 1 0 10 26.1 52.201 0.246 7.91 6 246.2 75.6
59 2 3 2 26.214 52.428 0.247 7.84 6 8.1 0.1
60 3 2 -2 26.214 52.428 0.247 7.84 6 199.0 48.9
61 4 0 -5 26.853 53.707 0.253 7.42 6 128.7 19.4
62 1 4 0 27.101 54.202 0.255 7.26 6 225.9 58.4
63 4 1 0 27.101 54.202 0.255 7.26 6 323.8 120.0
64 2 3 -4 27.775 55.551 0.26 6.87 6 213.1 49.2
65 3 2 4 27.775 55.551 0.26 6.87 6 373.4 151.0
66 1 3 7 27.866 55.733 0.261 6.82 6 307.1 101.4
67 3 1 -7 27.866 55.733 0.261 6.82 6 97.2 10.2
68 2 0 -10 28.193 56.386 0.264 6.64 6 224.1 52.6
69 1 4 -3 28.253 56.505 0.265 6.61 6 232.9 56.5
70 1 4 3 28.253 56.505 0.265 6.61 6 203.9 43.3
71 4 1 -3 28.253 56.505 0.265 6.61 6 14.0 0.2
72 4 1 3 28.253 56.505 0.265 6.61 6 120.1 15.0
73 1 0 -11 28.803 57.605 0.269 6.33 6 44.1 1.9
74 2 3 5 28.909 57.817 0.27 6.28 6 41.1 1.7
75 3 2 -5 28.909 57.817 0.27 6.28 6 208.8 43.1
76 3 0 -9 29.181 58.361 0.273 6.14 6 66.7 4.3
77 3 0 9 29.181 58.361 0.273 6.14 6 22.0 0.5
78 1 3 -8 29.736 59.473 0.277 5.89 6 776.7 560.0
79 3 1 8 29.736 59.473 0.277 5.89 6 77.5 5.6
80 4 0 7 29.876 59.751 0.278 5.83 6 137.6 17.4
81 5 0 -1 29.928 59.855 0.279 5.8 6 163.6 24.5
82 1 2 -10 30.188 60.376 0.281 5.69 6 356.1 113.8
83 2 1 10 30.188 60.376 0.281 5.69 6 254.2 58.0
84 5 0 2 30.291 60.583 0.282 5.65 6 41.6 1.5
85 2 0 11 30.773 61.546 0.286 5.46 6 5.4 0.0
86 0 0 12 30.949 61.899 0.287 5.39 2 169.9 8.2
87 3 3 0 31.102 62.204 0.289 5.33 6 178.7 26.8
88 2 2 -9 31.136 62.273 0.289 5.32 6 87.7 6.4
89 2 2 9 31.136 62.273 0.289 5.32 6 137.2 15.8
90 1 4 -6 31.542 63.084 0.292 5.17 6 251.0 51.3
91 1 4 6 31.542 63.084 0.292 5.17 6 196.7 31.5
92 4 1 -6 31.542 63.084 0.292 5.17 6 358.1 104.4
93 4 1 6 31.542 63.084 0.292 5.17 6 440.7 158.2
94 4 0 -8 31.671 63.343 0.293 5.12 6 5.6 0.0
95 5 0 -4 31.722 63.443 0.294 5.1 6 351.3 99.3
96 2 3 -7 31.806 63.611 0.295 5.07 6 234.9 44.1
97 3 2 7 31.806 63.611 0.295 5.07 6 18.0 0.3
98 2 4 1 31.856 63.712 0.295 5.06 6 96.6 7.4
99 4 2 -1 31.856 63.712 0.295 5.06 6 100.0 8.0
100 3 3 -3 32.162 64.325 0.298 4.95 6 62.0 3.0
101 3 3 3 32.162 64.325 0.298 4.95 6 100.8 7.9
102 2 4 -2 32.207 64.414 0.298 4.94 6 58.9 2.7
103 4 2 2 32.207 64.414 0.298 4.94 6 69.4 3.7
104 1 2 11 32.672 65.345 0.302 4.79 6 53.2 2.1
105 2 1 -11 32.672 65.345 0.302 4.79 6 18.6 0.3
106 5 0 5 32.771 65.542 0.303 4.75 6 224.5 37.8
107 1 1 -12 32.843 65.686 0.303 4.73 6 264.9 52.4
108 1 1 12 32.843 65.686 0.303 4.73 6 256.1 48.9
109 2 3 8 33.543 67.086 0.309 4.53 6 16.4 0.2
110 3 2 -8 33.543 67.086 0.309 4.53 6 25.8 0.5
111 2 4 4 33.592 67.183 0.309 4.51 6 294.5 61.7
112 4 2 -4 33.592 67.183 0.309 4.51 6 132.9 12.6
113 1 5 -1 33.722 67.444 0.31 4.47 6 39.4 1.1
114 5 1 1 33.722 67.444 0.31 4.47 6 22.7 0.4
115 1 3 10 33.966 67.932 0.312 4.41 6 971.9 656.4
116 3 1 -10 33.966 67.932 0.312 4.41 6 93.7 6.1
117 1 5 2 34.063 68.126 0.313 4.38 6 159.0 17.5
118 5 1 -2 34.063 68.126 0.313 4.38 6 28.0 0.5
119 1 0 13 34.467 68.935 0.316 4.28 6 261.9 46.2
120 2 4 -5 34.612 69.223 0.318 4.24 6 177.1 21.0
121 4 2 5 34.612 69.223 0.318 4.24 6 294.4 57.9
122 3 3 -6 35.242 70.483 0.323 4.09 6 353.5 80.5
123 3 3 6 35.242 70.483 0.323 4.09 6 318.1 65.2
124 1 5 -4 35.411 70.823 0.324 4.05 6 320.4 65.5
125 5 1 4 35.411 70.823 0.324 4.05 6 67.6 2.9
126 5 0 -7 35.491 70.982 0.325 4.03 6 138.2 12.1
127 4 0 10 35.777 71.554 0.327 3.97 6 226.5 32.1
128 2 0 -13 36.267 72.535 0.331 3.86 6 17.2 0.2
129 1 3 -11 36.314 72.629 0.331 3.85 6 384.5 89.8
130 3 1 11 36.314 72.629 0.331 3.85 6 11.6 0.1
131 1 5 5 36.408 72.817 0.332 3.83 6 87.8 4.7
132 5 1 -5 36.408 72.817 0.332 3.83 6 193.2 22.6
133 3 0 -12 36.477 72.954 0.332 3.82 6 7.5 0.0
134 3 0 12 36.477 72.954 0.332 3.82 6 42.8 1.1
135 6 0 0 36.618 73.235 0.333 3.79 6 204.9 25.1
136 1 4 -9 36.65 73.299 0.334 3.79 6 189.0 21.3
137 1 4 9 36.65 73.299 0.334 3.79 6 222.9 29.6
138 4 1 -9 36.65 73.299 0.334 3.79 6 99.0 5.9
139 4 1 9 36.65 73.299 0.334 3.79 6 164.0 16.1
140 5 0 8 37.145 74.29 0.338 3.69 6 22.8 0.3
141 2 4 7 37.27 74.54 0.339 3.67 6 107.7 6.7
142 4 2 -7 37.27 74.54 0.339 3.67 6 211.3 25.8
143 3 4 -1 37.317 74.633 0.339 3.66 6 107.1 6.6
144 4 3 1 37.317 74.633 0.339 3.66 6 34.1 0.7
145 1 0 -14 37.458 74.915 0.34 3.64 6 70.7 2.9
146 2 3 -10 37.551 75.101 0.341 3.62 6 217.3 27.0
147 3 2 10 37.551 75.101 0.341 3.62 6 139.5 11.1
148 6 0 -3 37.602 75.204 0.341 3.61 6 121.4 8.4
149 6 0 3 37.602 75.204 0.341 3.61 6 106.3 6.4
150 3 4 2 37.643 75.287 0.341 3.6 6 312.8 55.6
151 4 3 -2 37.643 75.287 0.341 3.6 6 6.3 0.0
152 1 2 -13 38.032 76.064 0.344 3.54 6 353.6 69.7
153 2 1 13 38.032 76.064 0.344 3.54 6 60.2 2.0
154 4 0 -11 38.078 76.157 0.345 3.53 6 65.9 2.4
155 2 2 -12 38.238 76.477 0.346 3.51 6 11.7 0.1
156 2 2 12 38.238 76.477 0.346 3.51 6 80.2 3.6
157 2 5 0 38.377 76.753 0.347 3.48 6 369.2 74.9
158 5 2 0 38.377 76.753 0.347 3.48 6 1120.5 689.4
159 2 4 -8 38.896 77.792 0.351 3.4 6 12.4 0.1
160 4 2 8 38.896 77.792 0.351 3.4 6 175.8 16.6
161 3 4 -4 38.942 77.884 0.351 3.4 6 371.4 73.9
162 4 3 4 38.942 77.884 0.351 3.4 6 81.4 3.5
163 1 5 -7 39.019 78.038 0.352 3.39 6 122.7 8.0
164 5 1 7 39.019 78.038 0.352 3.39 6 218.5 25.5
165 2 0 14 39.204 78.408 0.353 3.36 6 245.1 31.8
166 2 5 -3 39.346 78.692 0.354 3.34 6 333.4 58.5
167 2 5 3 39.346 78.692 0.354 3.34 6 318.7 53.5
168 5 2 -3 39.346 78.692 0.354 3.34 6 84.3 3.7
169 5 2 3 39.346 78.692 0.354 3.34 6 112.8 6.7
170 2 3 11 39.816 79.632 0.358 3.28 6 157.1 12.8
171 3 2 -11 39.816 79.632 0.358 3.28 6 67.0 2.3
172 3 4 5 39.907 79.814 0.359 3.27 6 150.0 11.6
173 4 3 -5 39.907 79.814 0.359 3.27 6 144.6 10.8
174 0 0 15 40.005 80.01 0.359 3.25 2 102.9 1.8
175 3 3 -9 40.141 80.283 0.36 3.24 6 234.5 28.1
176 3 3 9 40.141 80.283 0.36 3.24 6 163.0 13.6
177 6 0 -6 40.507 81.014 0.363 3.19 6 443.3 98.9
178 6 0 6 40.507 81.014 0.363 3.19 6 287.6 41.6
179 1 5 8 40.624 81.247 0.364 3.18 6 129.5 8.4
180 5 1 -8 40.624 81.247 0.364 3.18 6 107.6 5.8
181 1 6 1 40.791 81.581 0.365 3.16 6 31.3 0.5
182 6 1 -1 40.791 81.581 0.365 3.16 6 168.1 14.1
183 1 2 14 40.928 81.857 0.366 3.15 6 161.8 13.0
184 2 1 -14 40.928 81.857 0.366 3.15 6 363.1 65.4
185 5 0 -10 41.019 82.038 0.367 3.14 6 104.2 5.4
186 1 6 -2 41.11 82.219 0.368 3.13 6 117.6 6.8
187 6 1 2 41.11 82.219 0.368 3.13 6 74.5 2.7
188 1 3 13 41.489 82.979 0.37 3.09 6 552.0 148.3
189 3 1 -13 41.489 82.979 0.37 3.09 6 7.4 0.0
190 1 1 -15 41.722 83.443 0.372 3.06 6 80.5 3.1
191 1 1 15 41.722 83.443 0.372 3.06 6 92.4 4.1
192 2 5 -6 42.22 84.439 0.376 3.02 6 66.8 2.1
193 2 5 6 42.22 84.439 0.376 3.02 6 23.4 0.3
194 5 2 -6 42.22 84.439 0.376 3.02 6 229.9 25.1
195 5 2 6 42.22 84.439 0.376 3.02 6 254.8 30.9
196 1 6 4 42.381 84.761 0.377 3.0 6 44.3 0.9
197 6 1 -4 42.381 84.761 0.377 3.0 6 104.5 5.2
198 3 4 -7 42.456 84.913 0.377 3.0 6 44.0 0.9
199 4 3 7 42.456 84.913 0.377 3.0 6 246.6 28.7
200 2 4 10 42.728 85.456 0.379 2.98 6 144.3 9.8
201 4 2 -10 42.728 85.456 0.379 2.98 6 307.0 44.2
202 4 0 13 43.196 86.391 0.383 2.94 6 256.6 30.5
203 5 0 11 43.241 86.481 0.383 2.94 6 40.4 0.8
204 1 6 -5 43.33 86.661 0.384 2.93 6 215.8 21.5
205 6 1 5 43.33 86.661 0.384 2.93 6 44.4 0.9
206 1 4 -12 43.396 86.793 0.384 2.92 6 59.7 1.6
207 1 4 12 43.396 86.793 0.384 2.92 6 131.8 8.0
208 4 1 -12 43.396 86.793 0.384 2.92 6 314.8 45.7
209 4 1 12 43.396 86.793 0.384 2.92 6 239.9 26.5
210 4 4 0 43.531 87.062 0.385 2.92 6 50.6 1.2
211 1 0 16 43.858 87.717 0.387 2.89 6 182.0 15.1
212 3 4 8 44.038 88.076 0.389 2.88 6 31.9 0.5
213 4 3 -8 44.038 88.076 0.389 2.88 6 128.2 7.5
214 3 5 1 44.203 88.406 0.39 2.87 6 107.2 5.2
215 5 3 -1 44.203 88.406 0.39 2.87 6 134.5 8.2
216 7 0 1 44.203 88.406 0.39 2.87 6 172.7 13.5
217 1 3 -14 44.339 88.679 0.391 2.86 6 278.9 35.1
218 3 1 14 44.339 88.679 0.391 2.86 6 321.3 46.6
219 1 5 -10 44.429 88.858 0.391 2.86 6 254.6 29.2
220 5 1 10 44.429 88.858 0.391 2.86 6 227.8 23.4
221 4 4 -3 44.479 88.958 0.392 2.86 6 100.4 4.5
222 4 4 3 44.479 88.958 0.392 2.86 6 33.2 0.5
223 3 5 -2 44.519 89.038 0.392 2.85 6 61.2 1.7
224 5 3 2 44.519 89.038 0.392 2.85 6 10.8 0.1
225 7 0 -2 44.519 89.038 0.392 2.85 6 61.2 1.7
226 2 3 -13 44.896 89.791 0.395 2.83 6 156.6 10.9
227 3 2 13 44.896 89.791 0.395 2.83 6 28.9 0.4
228 2 4 -11 44.94 89.881 0.395 2.83 6 25.3 0.3
229 4 2 11 44.94 89.881 0.395 2.83 6 40.5 0.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 1 0 1 6.215 12.43 8.2624 279.8 26.3 26.8 5.6
2 0 0 3 7.387 14.774 6.95697 206.6 19.4 19.8 5.6
3 1 0 2 7.543 15.085 6.81433 71.4 6.7 6.8 5.6
4 1 1 0 9.915 19.83 5.1947 283.5 26.7 27.0 5.6
5 2 0 1 11.735 23.471 4.39774 145.3 13.7 13.8 5.6
6 1 1 3 12.409 24.818 4.16236 14.5 1.4 1.4 5.6
7 2 0 2 12.504 25.009 4.1312 207.4 19.5 19.7 5.6
8 1 0 5 13.664 27.327 3.78654 140.0 13.2 13.3 5.6
9 0 0 6 14.9 29.801 3.47848 141.9 13.3 13.4 5.6
10 2 0 4 15.22 30.44 3.40716 981.0 92.3 92.7 5.6
11 2 1 1 15.455 30.911 3.35646 21.3 2.0 2.0 5.6
12 2 1 2 16.059 32.119 3.23337 77.8 7.3 7.3 5.6
13 2 0 5 16.997 33.993 3.0599 204.9 19.3 19.3 5.7
14 3 0 0 17.352 34.703 2.99916 520.4 48.9 49.0 5.7
15 1 1 6 18.027 36.054 2.89033 1063.3 100.0 100.0 5.7
16 2 1 4 18.298 36.595 2.84902 624.0 58.7 58.7 5.7
17 1 0 7 18.424 36.847 2.83021 133.8 12.6 12.6 5.7
18 3 0 3 18.952 37.903 2.75413 659.4 62.0 61.9 5.7
19 2 1 5 19.832 39.664 2.6365 290.8 27.3 27.3 5.7
20 2 2 0 20.144 40.287 2.59735 183.3 17.2 17.2 5.7
21 2 0 7 21.094 42.188 2.48528 23.3 2.2 2.2 5.7
22 1 3 1 21.161 42.322 2.4778 181.1 17.0 16.9 5.7
23 2 2 3 21.567 43.134 2.4333 346.1 32.6 32.3 5.7
24 1 3 2 21.626 43.251 2.42702 160.5 15.1 15.0 5.7
25 3 0 6 23.19 46.38 2.27144 53.9 5.1 5.0 5.7
26 1 3 4 23.411 46.822 2.25123 680.2 64.0 63.3 5.7
27 1 2 7 23.514 47.028 2.24192 75.2 7.1 7.0 5.7
28 4 0 1 23.575 47.15 2.23642 31.8 3.0 3.0 5.7
29 4 0 2 24.003 48.006 2.19887 15.6 1.5 1.4 5.7
30 1 3 5 24.683 49.367 2.14188 676.5 63.6 62.7 5.7
31 1 1 9 24.986 49.972 2.11757 171.6 16.1 15.9 5.7
32 2 2 6 25.454 50.908 2.08118 59.7 5.6 5.5 5.8
33 2 1 8 25.602 51.205 2.06993 23.0 2.2 2.1 5.8
34 4 0 4 25.66 51.32 2.0656 18.2 1.7 1.7 5.8
35 3 2 1 25.813 51.627 2.05414 30.0 2.8 2.8 5.8
36 1 0 10 26.1 52.201 2.03311 75.6 7.1 7.0 5.8
37 3 2 2 26.214 52.428 2.02493 48.9 4.6 4.5 5.8
38 4 0 5 26.853 53.707 1.98016 19.4 1.8 1.8 5.8
39 4 1 0 27.101 54.202 1.96341 178.5 16.8 16.5 5.8
40 3 2 4 27.775 55.551 1.91942 200.2 18.8 18.4 5.8
41 1 3 7 27.866 55.733 1.91364 111.5 10.5 10.3 5.8
42 2 0 10 28.193 56.386 1.89327 52.6 4.9 4.8 5.8
43 1 4 3 28.253 56.505 1.8896 115.1 10.8 10.6 5.8
44 3 2 5 28.909 57.817 1.85029 44.8 4.2 4.1 5.8
45 1 3 8 29.736 59.473 1.80331 565.5 53.2 51.7 5.8
46 4 0 7 29.876 59.751 1.79567 17.4 1.6 1.6 5.8
47 5 0 1 29.928 59.855 1.79285 24.5 2.3 2.2 5.8
48 1 2 10 30.188 60.376 1.77881 171.8 16.2 15.7 5.8
49 3 3 0 31.102 62.204 1.73157 26.8 2.5 2.4 5.8
50 2 2 9 31.136 62.273 1.72985 22.2 2.1 2.0 5.8
51 4 1 6 31.542 63.084 1.70984 345.4 32.5 31.4 5.9
52 5 0 4 31.722 63.443 1.70117 99.3 9.3 9.0 5.9
53 2 3 7 31.806 63.611 1.69714 44.4 4.2 4.0 5.9
54 4 2 1 31.856 63.712 1.69475 15.4 1.4 1.4 5.9
55 3 3 3 32.162 64.325 1.6803 10.9 1.0 1.0 5.9
56 5 0 5 32.771 65.542 1.65248 37.8 3.6 3.4 5.9
57 1 1 12 32.843 65.686 1.64926 101.3 9.5 9.2 5.9
58 2 4 4 33.592 67.183 1.61668 74.2 7.0 6.7 5.9
59 1 3 10 33.966 67.932 1.60096 662.5 62.3 59.8 5.9
60 1 5 2 34.063 68.126 1.59696 18.0 1.7 1.6 5.9
61 1 0 13 34.467 68.935 1.58049 46.2 4.3 4.2 5.9
62 4 2 5 34.612 69.223 1.57472 78.9 7.4 7.1 5.9
63 3 3 6 35.242 70.483 1.55013 145.7 13.7 13.1 5.9
64 1 5 4 35.411 70.823 1.54366 68.5 6.4 6.1 5.9
65 5 0 7 35.491 70.982 1.54064 12.1 1.1 1.1 5.9
66 4 0 10 35.777 71.554 1.52995 32.1 3.0 2.9 5.9
67 1 3 11 36.314 72.629 1.51037 89.9 8.5 8.0 6.0
68 5 1 5 36.408 72.817 1.507 27.2 2.6 2.4 6.0
69 6 0 0 36.618 73.235 1.49958 25.1 2.4 2.2 6.0
70 1 4 9 36.65 73.299 1.49846 72.9 6.9 6.5 6.0
71 4 2 7 37.27 74.54 1.47705 32.5 3.1 2.9 6.0
72 2 3 10 37.551 75.101 1.46762 38.1 3.6 3.4 6.0
73 6 0 3 37.602 75.204 1.46591 14.8 1.4 1.3 6.0
74 3 4 2 37.643 75.287 1.46454 55.6 5.2 5.0 6.0
75 1 2 13 38.032 76.064 1.4518 71.7 6.7 6.4 6.0
76 5 2 0 38.377 76.753 1.44075 764.3 71.9 67.8 6.0
77 4 2 8 38.896 77.792 1.42451 16.6 1.6 1.5 6.0
78 3 4 4 38.942 77.884 1.4231 77.4 7.3 6.9 6.0
79 5 1 7 39.019 78.038 1.42074 33.5 3.2 3.0 6.0
80 2 0 14 39.204 78.408 1.41511 31.8 3.0 2.8 6.0
81 2 5 3 39.346 78.692 1.41081 122.5 11.5 10.8 6.0
82 2 3 11 39.816 79.632 1.39689 15.1 1.4 1.3 6.0
83 3 4 5 39.907 79.814 1.39423 22.3 2.1 2.0 6.0
84 3 3 9 40.141 80.283 1.38745 41.6 3.9 3.7 6.0
85 6 0 6 40.507 81.014 1.37707 140.6 13.2 12.4 6.1
86 1 5 8 40.624 81.247 1.37379 14.2 1.3 1.2 6.1
87 6 1 1 40.791 81.581 1.36915 14.1 1.3 1.2 6.1
88 2 1 14 40.928 81.857 1.36535 78.4 7.4 6.9 6.1
89 1 3 13 41.489 82.979 1.35017 148.3 13.9 13.0 6.1
90 5 2 6 42.22 84.439 1.33109 58.4 5.5 5.1 6.1
91 4 3 7 42.456 84.913 1.32507 28.7 2.7 2.5 6.1
92 4 2 10 42.728 85.456 1.31825 54.0 5.1 4.7 6.1
93 4 0 13 43.196 86.391 1.30675 30.5 2.9 2.6 6.1
94 1 6 5 43.33 86.661 1.30349 22.4 2.1 1.9 6.1
95 4 1 12 43.396 86.793 1.3019 81.9 7.7 7.1 6.1
96 1 0 16 43.858 87.717 1.29094 15.1 1.4 1.3 6.2
97 7 0 1 44.203 88.406 1.28292 26.9 2.5 2.3 6.2
98 3 1 14 44.339 88.679 1.2798 81.7 7.7 7.0 6.2
99 1 5 10 44.429 88.858 1.27775 52.6 4.9 4.5 6.2
100 2 3 13 44.896 89.791 1.26727 11.3 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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