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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CRICHTONITE
1, s-crichtonite
(Sr,Pb)(Ti,Fe,Mn)(21)O(38)
Rhombohedral * R3(-) Z = 1
R =0.04 NR =505
16 .11 .1993
Ref.Str.:
Grey I.E., Lloyd D.J., White J.S. (1976)
* Amer. Mineral., 61, 1203-1212
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.148 alpha = 69.08
b = 9.148 beta = 69.08
c = 9.148 gamma = 69.08
Unit cell volume (cub. angs.) = 644.4
Molar volume ( cub.cm/mol.) = 388.14
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 Sr = 0.7 , Pb = 0.2
2 0.5 0.5 0.5 0.0 Mn = 0.7 , Fe = 0.3
3 0.31 0.31 0.31 0.0 Fe = 1.00
4 0.3482 0.02 0.1254 0.0 Fe = 0.73, Ti = 0.27
5 0.3086 0.1502 0.718 0.0 Ti = 1.00
6 0.4734 0.6405 0.0837 0.0 Ti = 1.00
7 0.303 0.3782 0.6288 0.0 O = 1.00
8 0.1503 0.9371 0.2365 0.0 O = 1.00
9 0.9185 0.3011 0.4592 0.0 O = 1.00
10 0.1448 0.9887 0.5154 0.0 O = 1.00
11 0.3901 0.1345 0.4862 0.0 O = 1.00
12 0.7085 0.0715 0.2422 0.0 O = 1.00
13 0.214 0.214 0.214 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 0.5 0.5 0.5
3 3 0.31 0.31 0.31
4 4 0.3482 0.02 0.1254
5 5 0.3086 0.1502 0.718
6 6 0.4734 0.6405 0.0837
7 7 0.303 0.3782 0.6288
8 8 0.1503 0.9371 0.2365
9 9 0.9185 0.3011 0.4592
10 10 0.1448 0.9887 0.5154
11 11 0.3901 0.1345 0.4862
12 12 0.7085 0.0715 0.2422
13 13 0.214 0.214 0.214
14 4 0.02 0.1254 0.3482
15 4 0.1254 0.3482 0.02
16 5 0.1502 0.718 0.3086
17 5 0.718 0.3086 0.1502
18 6 0.6405 0.0837 0.4734
19 6 0.0837 0.4734 0.6405
20 7 0.3782 0.6288 0.303
21 7 0.6288 0.303 0.3782
22 8 0.9371 0.2365 0.1503
23 8 0.2365 0.1503 0.9371
24 9 0.3011 0.4592 0.9185
25 9 0.4592 0.9185 0.3011
26 10 0.9887 0.5154 0.1448
27 10 0.5154 0.1448 0.9887
28 11 0.1345 0.4862 0.3901
29 11 0.4862 0.3901 0.1345
30 12 0.0715 0.2422 0.7085
31 12 0.2422 0.7085 0.0715
32 3 0.69 0.69 0.69
33 4 0.6518 0.98 0.8746
34 5 0.6914 0.8498 0.282
35 6 0.5266 0.3595 0.9163
36 7 0.697 0.6218 0.3712
37 8 0.8497 0.0629 0.7635
38 9 0.0815 0.6989 0.5408
39 10 0.8552 0.0113 0.4846
40 11 0.6099 0.8655 0.5138
41 12 0.2915 0.9285 0.7578
42 13 0.786 0.786 0.786
43 4 0.98 0.8746 0.6518
44 4 0.8746 0.6518 0.98
45 5 0.8498 0.282 0.6914
46 5 0.282 0.6914 0.8498
47 6 0.3595 0.9163 0.5266
48 6 0.9163 0.5266 0.3595
49 7 0.6218 0.3712 0.697
50 7 0.3712 0.697 0.6218
51 8 0.0629 0.7635 0.8497
52 8 0.7635 0.8497 0.0629
53 9 0.6989 0.5408 0.0815
54 9 0.5408 0.0815 0.6989
55 10 0.0113 0.4846 0.8552
56 10 0.4846 0.8552 0.0113
57 11 0.8655 0.5138 0.6099
58 11 0.5138 0.6099 0.8655
59 12 0.9285 0.7578 0.2915
60 12 0.7578 0.2915 0.9285
X-ray density (g/cm cub.) = 4.57
MU (1/cm) = 661.921 Mass attenuation coefficient (cm**2/g) = 144.79
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sr ,Pb 3.144 12
2.7519 8
2.8315 12
2.7519 8
2.7519 8
2.8315 12
2.8315 12
2.7519 8
2.8315 12
2.7519 8
2.7519 8
2.8315 12
2.8315 12
2 Mn ,Fe 2.724 6
2.204 7
2.204 7
2.204 7
2.204 7
2.204 7
2.204 7
3 Fe 2.592 4
1.9667 11
1.9915 13
1.9667 11
1.9667 11
4 Fe ,Ti 2.592 6
2.0004 8
2.0185 13
2.0864 8
1.9756 9
2.017 10
1.9415 10
5 Ti 2.568 6
1.9383 7
2.0211 11
1.8733 8
2.0492 12
1.9821 12
1.9487 9
6 Ti 2.568 6
1.8601 7
2.1363 11
2.013 12
1.9307 9
1.8636 10
1.9994 11
7 O 3.264 12
2.7153 11
3.0649 7
3.0649 7
2.8552 8
2.9888 9
2.81 11
2.5876 12
2.9315 9
3.168 7
3.168 7
2.8367 9
2.8276 10
8 O 3.264 11
2.7361 10
2.7193 13
2.8552 7
2.7691 8
2.7691 8
3.0234 9
2.7296 12
2.8792 9
2.8836 10
3.0206 10
2.8494 12
9 O 3.264 12
2.864 10
2.8951 13
2.9888 7
3.0234 8
2.8427 10
2.8115 11
2.8834 12
2.9315 7
2.8792 8
2.8245 10
2.8367 7
2.5858 11
10 O 3.264 12
2.7361 8
2.864 9
2.8881 11
2.8067 13
2.8427 9
3.1491 12
2.8836 8
2.8245 9
2.6909 10
2.7833 12
2.8276 7
3.0206 8
11 O 3.264 10
2.7153 7
2.8881 10
2.9791 12
3.1717 13
2.81 7
2.8115 9
2.9577 12
2.5588 11
2.6091 12
2.5858 9
12 O 3.264 11
2.9791 11
2.5876 7
2.7296 8
2.8834 9
3.1491 10
2.9577 11
2.7833 10
2.6091 11
2.8494 8
2.844 12
2.844 12
13 O 3.264 12
2.7193 8
2.8951 9
2.8067 10
3.1717 11
2.7193 8
2.7193 8
2.8951 9
2.8951 9
2.8067 10
2.8067 10
3.1717 11
3.1717 11
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 0 6.229 12.458 0.061 166.92 6 19.9 95.6
2 1 1 1 7.432 14.864 0.072 116.58 2 11.9 7.9
3 1 1 0 7.569 15.138 0.074 112.32 6 12.7 26.0
4 1 -1 0 9.931 19.861 0.096 64.33 6 23.1 49.5
5 2 1 1 11.487 22.974 0.111 47.54 6 35.9 88.6
6 1 -1 1 11.756 23.513 0.114 45.29 6 34.7 78.7
7 1 2 0 12.449 24.898 0.121 40.17 6 3.0 0.5
8 2 1 0 12.449 24.898 0.121 40.17 6 18.2 19.2
9 2 0 0 12.533 25.066 0.121 39.6 6 25.7 37.8
10 1 2 2 13.737 27.474 0.133 32.63 6 64.3 195.0
11 2 2 2 14.993 29.986 0.145 27.07 2 47.9 29.9
12 2 2 0 15.274 30.548 0.147 26.02 6 151.5 863.2
13 1 -2 0 15.482 30.964 0.149 25.27 6 11.7 5.0
14 2 -1 0 15.482 30.964 0.149 25.27 6 8.6 2.7
15 2 -1 1 16.092 32.185 0.155 23.25 6 39.7 53.0
16 2 1 -1 16.092 32.185 0.155 23.25 6 13.3 5.9
17 3 1 1 17.066 34.133 0.164 20.47 6 148.0 647.8
18 -2 1 1 17.38 34.759 0.167 19.67 6 111.7 354.9
19 1 2 3 18.114 36.228 0.174 17.97 6 139.0 501.7
20 3 2 1 18.114 36.228 0.174 17.97 6 158.9 655.1
21 1 3 0 18.353 36.705 0.176 17.46 6 63.3 100.9
22 3 1 0 18.353 36.705 0.176 17.46 6 164.0 678.6
23 3 2 2 18.531 37.062 0.178 17.09 6 77.4 147.8
24 -1 2 2 18.996 37.992 0.182 16.18 6 112.3 295.0
25 3 0 0 18.996 37.992 0.182 16.18 6 110.4 284.8
26 2 3 0 19.901 39.802 0.19 14.6 6 125.1 329.8
27 3 2 0 19.901 39.802 0.19 14.6 6 72.6 111.2
28 2 -2 0 20.176 40.353 0.193 14.16 6 73.1 109.4
29 2 3 3 21.04 42.08 0.201 12.89 6 11.4 2.4
30 1 -2 2 21.197 42.394 0.202 12.68 6 169.0 523.0
31 1 2 -2 21.197 42.394 0.202 12.68 6 50.3 46.4
32 1 3 3 21.198 42.396 0.202 12.68 6 7.3 1.0
33 3 -1 1 21.615 43.23 0.206 12.14 6 100.5 177.0
34 3 1 -1 21.615 43.23 0.206 12.14 6 102.8 185.4
35 1 -3 0 21.667 43.333 0.206 12.07 6 9.4 1.5
36 3 -1 0 21.667 43.333 0.206 12.07 6 109.3 208.5
37 3 3 3 22.833 45.666 0.217 10.72 2 61.8 19.7
38 3 3 0 23.276 46.551 0.221 10.27 6 11.0 1.8
39 4 1 1 23.276 46.551 0.221 10.27 6 8.8 1.1
40 -1 2 3 23.47 46.941 0.223 10.08 6 120.2 210.3
41 3 2 -1 23.47 46.941 0.223 10.08 6 169.9 420.3
42 4 2 2 23.471 46.942 0.223 10.08 6 3.0 0.1
43 -3 1 1 23.615 47.231 0.224 9.94 6 19.5 5.5
44 1 2 4 23.616 47.233 0.224 9.94 6 63.1 57.1
45 4 2 1 23.616 47.233 0.224 9.94 6 14.3 2.9
46 2 -2 2 24.048 48.095 0.228 9.54 6 6.7 0.6
47 1 4 0 24.756 49.512 0.234 8.93 6 199.7 514.6
48 4 1 0 24.756 49.512 0.234 8.93 6 75.9 74.4
49 2 3 4 25.128 50.256 0.237 8.63 6 59.7 44.5
50 4 3 2 25.128 50.256 0.237 8.63 6 66.0 54.2
51 2 4 0 25.54 51.081 0.241 8.32 6 6.1 0.4
52 4 2 0 25.54 51.081 0.241 8.32 6 11.7 1.7
53 4 0 0 25.722 51.444 0.243 8.18 6 8.1 0.8
54 1 3 4 25.723 51.446 0.243 8.18 6 44.1 23.0
55 4 3 1 25.723 51.446 0.243 8.18 6 38.8 17.8
56 2 -3 0 25.858 51.716 0.244 8.08 6 11.4 1.5
57 3 -2 0 25.858 51.716 0.244 8.08 6 19.5 4.4
58 1 -2 3 26.263 52.525 0.247 7.8 6 18.8 4.0
59 3 -2 1 26.263 52.525 0.247 7.8 6 42.7 20.6
60 4 3 3 26.264 52.529 0.247 7.8 6 60.4 41.2
61 -1 3 3 26.928 53.856 0.253 7.37 6 42.0 18.8
62 -3 2 1 27.147 54.294 0.255 7.24 6 66.7 46.5
63 1 2 -3 27.147 54.294 0.255 7.24 6 87.1 79.3
64 4 -1 1 27.841 55.681 0.261 6.83 6 22.6 5.0
65 4 1 -1 27.841 55.681 0.261 6.83 6 120.5 143.3
66 3 4 0 27.97 55.94 0.262 6.76 6 10.1 1.0
67 4 3 0 27.97 55.94 0.262 6.76 6 99.1 95.9
68 1 -4 0 28.311 56.622 0.265 6.58 6 0.1 0.0
69 3 -2 2 28.311 56.622 0.265 6.58 6 11.5 1.3
70 3 2 -2 28.311 56.622 0.265 6.58 6 62.6 37.3
71 4 -1 0 28.311 56.622 0.265 6.58 6 74.6 52.9
72 2 4 4 28.355 56.71 0.265 6.56 6 69.9 46.3
73 -1 2 4 28.986 57.972 0.271 6.24 6 133.7 161.2
74 4 2 -1 28.986 57.972 0.271 6.24 6 19.8 3.5
75 3 4 4 28.988 57.975 0.271 6.24 6 12.1 1.3
76 1 4 4 29.321 58.642 0.274 6.08 6 15.9 2.2
77 5 2 2 29.321 58.642 0.274 6.08 6 8.8 0.7
78 1 2 5 29.858 59.716 0.278 5.84 6 262.1 579.3
79 5 2 1 29.858 59.716 0.278 5.84 6 27.0 6.1
80 -3 2 2 29.98 59.96 0.279 5.78 6 54.2 24.5
81 5 1 1 29.981 59.962 0.279 5.78 6 57.9 28.0
82 -4 1 1 30.348 60.696 0.282 5.63 6 13.3 1.4
83 2 3 5 30.349 60.699 0.282 5.63 6 111.3 100.7
84 5 3 2 30.349 60.699 0.282 5.63 6 38.6 12.1
85 5 3 3 30.957 61.914 0.288 5.38 6 16.5 2.1
86 3 -3 0 31.156 62.312 0.289 5.31 6 26.5 5.4
87 4 4 4 31.158 62.316 0.289 5.31 2 141.5 51.2
88 1 3 5 31.277 62.554 0.29 5.26 6 33.6 8.6
89 5 3 1 31.277 62.554 0.29 5.26 6 22.1 3.7
90 -1 3 4 31.635 63.271 0.293 5.13 6 152.2 171.8
91 1 5 0 31.635 63.271 0.293 5.13 6 59.8 26.5
92 4 3 -1 31.635 63.271 0.293 5.13 6 35.0 9.1
93 5 1 0 31.635 63.271 0.293 5.13 6 138.1 141.5
94 -2 3 3 31.794 63.588 0.295 5.08 6 82.3 49.6
95 4 4 0 31.795 63.589 0.295 5.08 6 25.9 4.9
96 1 -3 3 31.912 63.825 0.295 5.04 6 26.8 5.2
97 1 3 -3 31.912 63.825 0.295 5.04 6 38.8 10.9
98 2 5 0 31.913 63.826 0.296 5.04 6 63.2 29.1
99 5 2 0 31.913 63.826 0.296 5.04 6 23.6 4.1
100 1 -2 4 32.228 64.456 0.298 4.93 6 32.0 7.3
101 4 -2 1 32.228 64.456 0.298 4.93 6 5.5 0.2
102 2 -4 0 32.267 64.535 0.298 4.92 6 2.7 0.1
103 4 -2 0 32.267 64.535 0.298 4.92 6 9.4 0.6
104 5 0 0 32.855 65.709 0.303 4.73 6 117.2 93.9
105 2 4 5 32.856 65.712 0.303 4.73 6 22.0 3.3
106 5 4 2 32.856 65.712 0.303 4.73 6 3.9 0.1
107 3 4 5 33.051 66.102 0.305 4.67 6 44.9 13.6
108 5 4 3 33.051 66.102 0.305 4.67 6 54.5 20.0
109 4 -2 2 33.667 67.335 0.31 4.49 6 63.2 25.9
110 4 2 -2 33.667 67.335 0.31 4.49 6 101.7 67.2
111 3 5 0 33.668 67.336 0.31 4.49 6 23.8 3.7
112 5 3 0 33.668 67.336 0.31 4.49 6 34.8 7.9
113 -4 2 1 33.782 67.565 0.311 4.46 6 23.6 3.6
114 1 2 -4 33.782 67.565 0.311 4.46 6 13.0 1.1
115 2 -3 3 34.127 68.255 0.314 4.36 6 41.1 10.6
116 2 3 -3 34.127 68.255 0.314 4.36 6 18.6 2.2
117 1 4 5 34.129 68.257 0.314 4.36 6 27.6 4.8
118 5 4 1 34.129 68.257 0.314 4.36 6 350.3 774.0
119 5 -1 1 34.699 69.397 0.318 4.22 6 82.9 41.9
120 5 1 -1 34.699 69.397 0.318 4.22 6 89.9 49.2
121 5 4 4 34.701 69.401 0.318 4.22 6 74.7 34.0
122 -1 2 5 35.341 70.682 0.323 4.06 6 95.4 53.4
123 5 2 -1 35.341 70.682 0.323 4.06 6 112.4 74.2
124 1 -5 0 35.491 70.982 0.325 4.03 6 57.6 19.3
125 5 -1 0 35.491 70.982 0.325 4.03 6 109.9 70.4
126 -1 4 4 35.604 71.208 0.325 4.01 6 18.7 2.0
127 6 2 2 35.942 71.883 0.328 3.93 6 80.2 36.5
128 -2 3 4 36.499 72.998 0.332 3.82 6 70.2 27.2
129 4 3 -2 36.499 72.998 0.332 3.82 6 53.8 16.0
130 2 3 6 36.5 73.001 0.333 3.82 6 229.0 289.2
131 6 3 2 36.5 73.001 0.333 3.82 6 1.5 0.0
132 3 5 5 36.501 73.002 0.333 3.82 6 20.6 2.3
133 -4 2 2 36.684 73.368 0.334 3.78 6 64.3 22.6
134 2 5 5 36.686 73.372 0.334 3.78 6 3.6 0.1
135 6 3 3 36.686 73.372 0.334 3.78 6 10.4 0.6
136 1 2 6 36.796 73.593 0.335 3.76 6 51.5 14.4
137 4 5 0 36.796 73.593 0.335 3.76 6 31.8 5.5
138 5 4 0 36.796 73.593 0.335 3.76 6 45.4 11.2
139 6 2 1 36.796 73.593 0.335 3.76 6 29.7 4.8
140 6 1 1 37.276 74.552 0.339 3.67 6 39.3 8.2
141 3 -4 0 37.386 74.771 0.339 3.65 6 3.6 0.1
142 4 -3 0 37.386 74.771 0.339 3.65 6 11.3 0.7
143 -1 3 5 37.386 74.773 0.339 3.65 6 77.8 31.9
144 5 3 -1 37.386 74.773 0.339 3.65 6 6.7 0.2
145 -5 1 1 37.68 75.359 0.342 3.6 6 53.9 15.1
146 3 -3 3 37.68 75.359 0.342 3.6 6 2.0 0.0
147 1 -3 4 37.716 75.433 0.342 3.59 6 75.1 29.2
148 4 -3 1 37.716 75.433 0.342 3.59 6 5.4 0.2
149 1 3 6 37.718 75.435 0.342 3.59 6 69.9 25.3
150 6 3 1 37.718 75.435 0.342 3.59 6 45.6 10.8
151 4 5 5 37.719 75.438 0.342 3.59 6 11.5 0.7
152 1 5 5 38.267 76.534 0.346 3.5 6 13.9 1.0
153 3 4 6 38.267 76.535 0.346 3.5 6 105.7 56.5
154 6 4 3 38.267 76.535 0.346 3.5 6 50.3 12.8
155 -4 3 1 38.447 76.895 0.348 3.47 6 93.9 44.3
156 1 3 -4 38.447 76.895 0.348 3.47 6 407.4 832.7
157 2 4 6 38.449 76.899 0.348 3.47 6 26.9 3.6
158 6 4 2 38.449 76.899 0.348 3.47 6 1.0 0.0
159 1 -2 5 39.03 78.059 0.352 3.39 6 8.0 0.3
160 5 -2 1 39.03 78.059 0.352 3.39 6 135.4 89.6
161 2 6 0 39.03 78.06 0.352 3.39 6 4.5 0.1
162 6 2 0 39.03 78.06 0.352 3.39 6 15.4 1.2
163 1 6 0 39.139 78.278 0.353 3.37 6 6.1 0.2
164 6 1 0 39.139 78.278 0.353 3.37 6 76.4 28.4
165 2 -5 0 39.428 78.856 0.355 3.33 6 9.4 0.4
166 2 -3 4 39.428 78.856 0.355 3.33 6 93.6 42.2
167 4 -3 2 39.428 78.856 0.355 3.33 6 7.4 0.3
168 5 -2 0 39.428 78.856 0.355 3.33 6 97.0 45.2
169 6 4 4 39.467 78.934 0.355 3.32 6 100.2 48.2
170 5 -2 2 40.006 80.012 0.359 3.25 6 58.3 16.0
171 5 2 -2 40.006 80.012 0.359 3.25 6 107.3 54.2
172 1 4 6 40.007 80.015 0.359 3.25 6 12.2 0.7
173 6 4 1 40.007 80.015 0.359 3.25 6 36.2 6.1
174 3 6 0 40.295 80.59 0.362 3.22 6 59.7 16.6
175 6 3 0 40.295 80.59 0.362 3.22 6 66.1 20.3
176 5 5 5 40.297 80.594 0.362 3.22 2 23.0 0.8
177 -2 4 4 40.618 81.236 0.364 3.18 6 137.0 86.3
178 6 0 0 40.618 81.236 0.364 3.18 6 132.6 80.8
179 -1 4 5 40.762 81.524 0.365 3.16 6 4.4 0.1
180 5 4 -1 40.762 81.524 0.365 3.16 6 21.3 2.1
181 -4 3 2 40.869 81.737 0.366 3.15 6 2.0 0.0
182 2 3 -4 40.869 81.737 0.366 3.15 6 37.3 6.3
183 -5 2 1 41.191 82.383 0.368 3.12 6 14.6 1.0
184 1 2 -5 41.191 82.383 0.368 3.12 6 8.6 0.3
185 5 5 0 41.193 82.385 0.368 3.12 6 24.0 2.6
186 3 5 6 41.194 82.388 0.368 3.12 6 90.3 36.7
187 6 5 3 41.194 82.388 0.368 3.12 6 69.6 21.8
188 2 5 6 41.73 83.46 0.372 3.06 6 21.8 2.1
189 6 5 2 41.73 83.46 0.372 3.06 6 139.0 85.5
190 4 5 6 42.017 84.033 0.374 3.04 6 37.0 6.0
191 6 5 4 42.017 84.033 0.374 3.04 6 99.3 43.2
192 -2 3 5 42.335 84.67 0.376 3.01 6 33.1 4.8
193 5 3 -2 42.335 84.67 0.376 3.01 6 37.1 6.0
194 6 -1 1 42.335 84.67 0.376 3.01 6 10.8 0.5
195 6 1 -1 42.335 84.67 0.376 3.01 6 34.4 5.1
196 4 -3 3 42.477 84.955 0.377 3.0 6 1.4 0.0
197 4 3 -3 42.477 84.955 0.377 3.0 6 35.5 5.5
198 -1 2 6 42.585 85.17 0.378 2.99 6 29.4 3.7
199 6 2 -1 42.585 85.17 0.378 2.99 6 71.2 21.9
200 4 6 0 42.906 85.812 0.381 2.96 6 78.3 26.2
201 6 4 0 42.906 85.812 0.381 2.96 6 5.6 0.1
202 1 -6 0 43.439 86.877 0.384 2.92 6 23.1 2.2
203 6 -1 0 43.439 86.877 0.384 2.92 6 64.9 17.8
204 7 2 2 43.44 86.88 0.384 2.92 6 31.4 4.2
205 7 3 3 43.441 86.881 0.384 2.92 6 74.8 23.6
206 4 -4 0 43.616 87.232 0.386 2.91 6 14.9 0.9
207 1 5 6 43.618 87.236 0.386 2.91 6 72.8 22.3
208 2 3 7 43.618 87.236 0.386 2.91 6 10.9 0.5
209 6 5 1 43.618 87.236 0.386 2.91 6 24.8 2.6
210 7 3 2 43.618 87.236 0.386 2.91 6 74.9 23.6
211 -1 3 6 44.185 88.371 0.39 2.87 6 5.0 0.1
212 6 3 -1 44.185 88.371 0.39 2.87 6 22.4 2.1
213 6 5 5 44.188 88.376 0.39 2.87 6 17.7 1.3
214 -5 2 2 44.291 88.582 0.39 2.87 6 55.3 12.7
215 1 -4 4 44.291 88.582 0.39 2.87 6 19.0 1.5
216 1 4 -4 44.291 88.582 0.39 2.87 6 36.7 5.6
217 1 -3 5 44.575 89.15 0.392 2.85 6 11.8 0.6
218 5 -3 1 44.575 89.15 0.392 2.85 6 30.9 3.9
219 -4 3 3 44.611 89.221 0.393 2.85 6 21.0 1.8
220 3 -5 0 44.611 89.221 0.393 2.85 6 5.6 0.1
221 5 -3 0 44.611 89.221 0.393 2.85 6 10.8 0.5
222 1 2 7 44.612 89.224 0.393 2.85 6 25.8 2.7
223 7 2 1 44.612 89.224 0.393 2.85 6 47.3 9.2
224 3 4 7 44.613 89.226 0.393 2.85 6 59.3 14.5
225 7 4 3 44.613 89.226 0.393 2.85 6 58.8 14.2
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 0 6.229 12.458 8.24372 95.6 8.3 8.4 5.6
2 1 1 0 7.569 15.138 6.79069 26.0 2.2 2.3 5.6
3 1 -1 0 9.931 19.861 5.18661 49.5 4.3 4.3 5.6
4 2 1 1 11.487 22.974 4.49153 88.6 7.7 7.7 5.6
5 1 -1 1 11.756 23.513 4.39001 78.7 6.8 6.9 5.6
6 2 1 0 12.449 24.898 4.1492 19.2 1.7 1.7 5.6
7 2 0 0 12.533 25.066 4.12186 37.8 3.3 3.3 5.6
8 1 2 2 13.737 27.474 3.7667 195.0 16.9 17.0 5.6
9 2 2 2 14.993 29.986 3.45753 29.9 2.6 2.6 5.6
10 2 2 0 15.274 30.548 3.39534 863.2 74.6 75.0 5.6
11 2 -1 1 16.092 32.185 3.22694 58.9 5.1 5.1 5.6
12 3 1 1 17.066 34.133 3.04777 647.8 56.0 56.1 5.7
13 -2 1 1 17.38 34.759 2.99449 354.9 30.7 30.7 5.7
14 3 2 1 18.114 36.228 2.87689 1156.7 100.0 100.0 5.7
15 3 1 0 18.353 36.705 2.84077 779.5 67.4 67.4 5.7
16 3 2 2 18.531 37.062 2.8144 147.8 12.8 12.8 5.7
17 -1 2 2 18.996 37.992 2.74791 579.7 50.1 50.0 5.7
18 2 3 0 19.901 39.802 2.62768 441.0 38.1 38.0 5.7
19 2 -2 0 20.176 40.353 2.59331 109.4 9.5 9.4 5.7
20 1 -2 2 21.197 42.394 2.47379 570.4 49.3 49.0 5.7
21 3 1 -1 21.615 43.23 2.42817 362.4 31.3 31.1 5.7
22 3 -1 0 21.667 43.333 2.42266 210.1 18.2 18.0 5.7
23 3 3 3 22.833 45.666 2.30502 19.7 1.7 1.7 5.7
24 3 2 -1 23.47 46.941 2.24584 630.8 54.5 53.9 5.7
25 1 2 4 23.616 47.233 2.23275 65.5 5.7 5.6 5.7
26 1 4 0 24.756 49.512 2.13601 589.0 50.9 50.2 5.7
27 4 3 2 25.128 50.256 2.10637 98.7 8.5 8.4 5.8
28 1 3 4 25.723 51.446 2.06087 40.8 3.5 3.5 5.8
29 4 3 3 26.264 52.529 2.02132 65.8 5.7 5.6 5.8
30 -1 3 3 26.928 53.856 1.97508 18.8 1.6 1.6 5.8
31 1 2 -3 27.147 54.294 1.96036 125.8 10.9 10.7 5.8
32 4 1 -1 27.841 55.681 1.91527 148.3 12.8 12.5 5.8
33 4 3 0 27.97 55.94 1.90712 95.9 8.3 8.1 5.8
34 4 -1 0 28.311 56.622 1.88603 91.4 7.9 7.7 5.8
35 2 4 4 28.355 56.71 1.88335 46.3 4.0 3.9 5.8
36 -1 2 4 28.986 57.972 1.84578 166.1 14.4 14.0 5.8
37 1 2 5 29.858 59.716 1.79664 585.5 50.6 49.2 5.8
38 5 1 1 29.981 59.962 1.78995 52.5 4.5 4.4 5.8
39 5 3 2 30.349 60.699 1.77026 114.2 9.9 9.6 5.8
40 4 4 4 31.158 62.316 1.72876 56.6 4.9 4.7 5.8
41 1 3 5 31.277 62.554 1.72284 12.3 1.1 1.0 5.8
42 -1 3 4 31.635 63.271 1.70532 348.9 30.2 29.2 5.9
43 -2 3 3 31.794 63.588 1.69771 54.6 4.7 4.6 5.9
44 2 5 0 31.913 63.826 1.69203 49.3 4.3 4.1 5.9
45 5 0 0 32.855 65.709 1.64875 97.3 8.4 8.1 5.9
46 5 4 3 33.051 66.102 1.64006 33.6 2.9 2.8 5.9
47 4 2 -2 33.667 67.335 1.61347 104.6 9.0 8.7 5.9
48 5 4 1 34.129 68.257 1.59425 791.7 68.4 65.7 5.9
49 5 1 -1 34.699 69.397 1.57127 125.2 10.8 10.4 5.9
50 5 2 -1 35.341 70.682 1.54633 127.6 11.0 10.5 5.9
51 5 -1 0 35.491 70.982 1.54065 89.7 7.8 7.4 5.9
52 6 2 2 35.942 71.883 1.52389 36.5 3.2 3.0 5.9
53 2 3 6 36.5 73.001 1.50373 334.7 28.9 27.5 6.0
54 -4 2 2 36.684 73.368 1.49725 23.2 2.0 1.9 6.0
55 1 2 6 36.796 73.593 1.49332 35.9 3.1 2.9 6.0
56 -1 3 5 37.386 74.773 1.47312 32.1 2.8 2.6 6.0
57 -5 1 1 37.68 75.359 1.46334 15.1 1.3 1.2 6.0
58 1 -3 4 37.716 75.433 1.46213 66.2 5.7 5.4 6.0
59 3 4 6 38.267 76.535 1.44423 69.3 6.0 5.7 6.0
60 1 3 -4 38.447 76.895 1.43851 880.6 76.1 71.9 6.0
61 5 -2 1 39.03 78.059 1.42041 90.9 7.9 7.4 6.0
62 6 1 0 39.139 78.278 1.41708 28.4 2.5 2.3 6.0
63 5 -2 0 39.428 78.856 1.40836 87.6 7.6 7.1 6.0
64 6 4 4 39.467 78.934 1.4072 48.2 4.2 3.9 6.0
65 5 2 -2 40.006 80.012 1.39136 77.0 6.7 6.2 6.0
66 6 3 0 40.295 80.59 1.38307 37.7 3.3 3.1 6.1
67 -2 4 4 40.618 81.236 1.37395 167.1 14.4 13.5 6.1
68 6 5 3 41.194 82.388 1.3581 61.1 5.3 4.9 6.1
69 6 5 2 41.73 83.46 1.34379 87.6 7.6 7.0 6.1
70 6 5 4 42.017 84.033 1.33632 49.2 4.3 4.0 6.1
71 6 1 -1 42.335 84.67 1.32814 16.4 1.4 1.3 6.1
72 6 2 -1 42.585 85.17 1.32183 25.6 2.2 2.0 6.1
73 4 6 0 42.906 85.812 1.31384 26.4 2.3 2.1 6.1
74 7 3 3 43.441 86.881 1.30084 47.8 4.1 3.8 6.1
75 7 3 2 43.618 87.236 1.29661 48.9 4.2 3.9 6.2
76 -5 2 2 44.291 88.582 1.28091 19.7 1.7 1.6 6.2
77 7 4 3 44.613 89.226 1.27358 43.0 3.7 3.4 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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