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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MARICOPAITE
1, f-zeolite, sf-stilbite, DF
Pb(7)Ca(2)Al(12)Si(36)(O,OH)(100).[H(2)O]
Orthorhombic C m2m Z = 1
R =0.046 NR =1189
12 .9 .1994
Ref.Str.:
Rouse R.C., Peacor D.R. (1994)
* Amer. Mineral., 79, 175-184
Reserv:
[H(2)O] = nH(2)O. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 19.434 alpha = 90.0
b = 19.702 beta = 90.0
c = 7.538 gamma = 90.0
Unit cell volume (cub. angs.) = 2886.21
Molar volume ( cub.cm/mol.) = 1738.47
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0975 0.1044 0.5 2.25 Pb = 0.83, Pb = 0.0
2 0.0977 0.8988 0.0 1.82 Pb = 0.25, Pb = 0.0
3 0.0 0.9662 0.2377 2.29 Pb = 0.62, Pb = 0.0
4 0.0 0.0359 0.2516 3.4 Pb = 0.17, Pb = 0.0
5 0.179 0.2907 0.2956 1.17 Al = 1.00
6 0.3211 0.2169 0.2043 1.38 Al = 1.00
7 0.2546 0.9283 0.2076 1.18 Al = 1.00
8 0.1395 0.9238 0.5 1.0 Al = 1.00
9 0.1342 0.0843 0.0 1.1 Al = 1.00
10 0.2554 0.0779 0.2885 1.26 Si = 1.00
11 0.0794 0.2311 0.0 1.6 Si = 1.00
12 0.0817 0.7763 0.5 1.1 Si = 1.00
13 0.1861 0.92 0.325 2.9 O = 1.00
14 0.081 0.1441 0.0 2.3 O = 1.00
15 0.0932 0.9916 0.5 3.8 O = 1.00
16 0.0862 0.8586 0.5 1.4 O = 1.00
17 0.3443 0.2307 0.0 2.2 O = 1.00
18 0.182 0.0864 0.1811 1.7 O = 1.00
19 0.3134 0.1342 0.2417 2.3 O = 1.00
20 0.1607 0.2769 0.5 3.5 O = 1.00
21 0.0863 0.0162 0.0 2.4 O = 1.00
22 0.1865 0.3708 0.2641 2.0 O = 1.00
23 0.25 0.2536 0.2506 3.6 O = 1.00
24 0.1164 0.2604 0.1761 3.0 O = 1.00
25 0.3832 0.2424 0.3218 3.3 O = 1.00
26 0.2897 0.003 0.246 2.5 O = 1.00
27 0.2278 0.9219 0.0 2.5 O = 1.00
28 0.234 0.0838 0.5 2.0 O = 1.00
29 0.0 0.253 0.0 2.5 O = 1.00
30 0.0 0.7557 0.5 2.6 O = 1.00
31 0.0 0.0828 0.3098 2.2 H(2)O = 0.92, H(2)O = 0.0
32 0.0 0.231 0.5 2.6 H(2)O = 0.95, H(2)O = 0.0
33 0.085 0.561 0.0 2.6 H(2)O = 0.6 , H(2)O = 0.0
34 0.0 0.501 0.099 2.6 H(2)O = 0.5 , H(2)O = 0.0
35 0.061 0.594 0.5 2.6 H(2)O = 0.28, H(2)O = 0.0
36 0.077 0.456 0.241 2.6 H(2)O = 0.35, H(2)O = 0.0
37 0.074 0.457 0.385 2.6 H(2)O = 0.4 , H(2)O = 0.0
38 0.079 0.871 0.0 2.6 H(2)O = 0.57, H(2)O = 0.0
39 0.07 0.151 0.5 2.6 H(2)O = 0.17, H(2)O = 0.0
40 0.0 0.933 0.215 2.6 H(2)O = 0.47, H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0975 0.1044 0.5
2 2 0.0977 0.8988 0.0
3 3 0.0 0.9662 0.2377
4 4 0.0 0.0359 0.2516
5 5 0.179 0.2907 0.2956
6 6 0.3211 0.2169 0.2043
7 7 0.2546 0.9283 0.2076
8 8 0.1395 0.9238 0.5
9 9 0.1342 0.0843 0.0
10 10 0.2554 0.0779 0.2885
11 11 0.0794 0.2311 0.0
12 12 0.0817 0.7763 0.5
13 13 0.1861 0.92 0.325
14 14 0.081 0.1441 0.0
15 15 0.0932 0.9916 0.5
16 16 0.0862 0.8586 0.5
17 17 0.3443 0.2307 0.0
18 18 0.182 0.0864 0.1811
19 19 0.3134 0.1342 0.2417
20 20 0.1607 0.2769 0.5
21 21 0.0863 0.0162 0.0
22 22 0.1865 0.3708 0.2641
23 23 0.25 0.2536 0.2506
24 24 0.1164 0.2604 0.1761
25 25 0.3832 0.2424 0.3218
26 26 0.2897 0.003 0.246
27 27 0.2278 0.9219 0.0
28 28 0.234 0.0838 0.5
29 29 0.0 0.253 0.0
30 30 0.0 0.7557 0.5
31 31 0.0 0.0828 0.3098
32 32 0.0 0.231 0.5
33 33 0.085 0.561 0.0
34 34 0.0 0.501 0.099
35 35 0.061 0.594 0.5
36 36 0.077 0.456 0.241
37 37 0.074 0.457 0.385
38 38 0.079 0.871 0.0
39 39 0.07 0.151 0.5
40 40 0.0 0.933 0.215
41 1 0.9025 0.1044 0.5
42 2 0.9023 0.8988 0.0
43 3 0.0 0.9662 0.7623
44 4 0.0 0.0359 0.7484
45 5 0.821 0.2907 0.7044
46 6 0.6789 0.2169 0.7957
47 7 0.7454 0.9283 0.7924
48 8 0.8605 0.9238 0.5
49 9 0.8658 0.0843 0.0
50 10 0.7446 0.0779 0.7115
51 11 0.9206 0.2311 0.0
52 12 0.9183 0.7763 0.5
53 13 0.8139 0.92 0.675
54 14 0.919 0.1441 0.0
55 15 0.9068 0.9916 0.5
56 16 0.9138 0.8586 0.5
57 17 0.6557 0.2307 0.0
58 18 0.818 0.0864 0.8189
59 19 0.6866 0.1342 0.7583
60 20 0.8393 0.2769 0.5
61 21 0.9137 0.0162 0.0
62 22 0.8135 0.3708 0.7359
63 23 0.75 0.2536 0.7494
64 24 0.8836 0.2604 0.8239
65 25 0.6168 0.2424 0.6782
66 26 0.7103 0.003 0.754
67 27 0.7722 0.9219 0.0
68 28 0.766 0.0838 0.5
69 31 0.0 0.0828 0.6902
70 33 0.915 0.561 0.0
71 34 0.0 0.501 0.901
72 35 0.939 0.594 0.5
73 36 0.923 0.456 0.759
74 37 0.926 0.457 0.615
75 38 0.921 0.871 0.0
76 39 0.93 0.151 0.5
77 40 0.0 0.933 0.785
78 5 0.821 0.2907 0.2956
79 6 0.6789 0.2169 0.2043
80 7 0.7454 0.9283 0.2076
81 10 0.7446 0.0779 0.2885
82 13 0.8139 0.92 0.325
83 18 0.818 0.0864 0.1811
84 19 0.6866 0.1342 0.2417
85 22 0.8135 0.3708 0.2641
86 23 0.75 0.2536 0.2506
87 24 0.8836 0.2604 0.1761
88 25 0.6168 0.2424 0.3218
89 26 0.7103 0.003 0.246
90 36 0.923 0.456 0.241
91 37 0.926 0.457 0.385
92 5 0.179 0.2907 0.7044
93 6 0.3211 0.2169 0.7957
94 7 0.2546 0.9283 0.7924
95 10 0.2554 0.0779 0.7115
96 13 0.1861 0.92 0.675
97 18 0.182 0.0864 0.8189
98 19 0.3134 0.1342 0.7583
99 22 0.1865 0.3708 0.7359
100 23 0.25 0.2536 0.7494
101 24 0.1164 0.2604 0.8239
102 25 0.3832 0.2424 0.6782
103 26 0.2897 0.003 0.754
104 36 0.077 0.456 0.759
105 37 0.074 0.457 0.615
106 1 0.4025 0.6044 0.5
107 2 0.4023 0.3988 0.0
108 3 0.5 0.4662 0.7623
109 4 0.5 0.5359 0.7484
110 5 0.321 0.7907 0.7044
111 6 0.1789 0.7169 0.7957
112 7 0.2454 0.4283 0.7924
113 8 0.3605 0.4238 0.5
114 9 0.3658 0.5843 0.0
115 10 0.2446 0.5779 0.7115
116 11 0.4206 0.7311 0.0
117 12 0.4183 0.2763 0.5
118 13 0.3139 0.42 0.675
119 14 0.419 0.6441 0.0
120 15 0.4068 0.4916 0.5
121 16 0.4138 0.3586 0.5
122 17 0.1557 0.7307 0.0
123 18 0.318 0.5864 0.8189
124 19 0.1866 0.6342 0.7583
125 20 0.3393 0.7769 0.5
126 21 0.4137 0.5162 0.0
127 22 0.3135 0.8708 0.7359
128 23 0.25 0.7536 0.7494
129 24 0.3836 0.7604 0.8239
130 25 0.1168 0.7424 0.6782
131 26 0.2103 0.503 0.754
132 27 0.2722 0.4219 0.0
133 28 0.266 0.5838 0.5
134 29 0.5 0.753 0.0
135 30 0.5 0.2557 0.5
136 31 0.5 0.5828 0.6902
137 32 0.5 0.731 0.5
138 33 0.415 0.061 0.0
139 34 0.5 0.001 0.901
140 35 0.439 0.094 0.5
141 36 0.423 0.956 0.759
142 37 0.426 0.957 0.615
143 38 0.421 0.371 0.0
144 39 0.43 0.651 0.5
145 40 0.5 0.433 0.785
146 1 0.5975 0.6044 0.5
147 2 0.5977 0.3988 0.0
148 3 0.5 0.4662 0.2377
149 4 0.5 0.5359 0.2516
150 5 0.679 0.7907 0.2956
151 6 0.8211 0.7169 0.2043
152 7 0.7546 0.4283 0.2076
153 8 0.6395 0.4238 0.5
154 9 0.6342 0.5843 0.0
155 10 0.7554 0.5779 0.2885
156 11 0.5794 0.7311 0.0
157 12 0.5817 0.2763 0.5
158 13 0.6861 0.42 0.325
159 14 0.581 0.6441 0.0
160 15 0.5932 0.4916 0.5
161 16 0.5862 0.3586 0.5
162 17 0.8443 0.7307 0.0
163 18 0.682 0.5864 0.1811
164 19 0.8134 0.6342 0.2417
165 20 0.6607 0.7769 0.5
166 21 0.5863 0.5162 0.0
167 22 0.6865 0.8708 0.2641
168 23 0.75 0.7536 0.2506
169 24 0.6164 0.7604 0.1761
170 25 0.8832 0.7424 0.3218
171 26 0.7897 0.503 0.246
172 27 0.7278 0.4219 0.0
173 28 0.734 0.5838 0.5
174 31 0.5 0.5828 0.3098
175 33 0.585 0.061 0.0
176 34 0.5 0.001 0.099
177 35 0.561 0.094 0.5
178 36 0.577 0.956 0.241
179 37 0.574 0.957 0.385
180 38 0.579 0.371 0.0
181 39 0.57 0.651 0.5
182 40 0.5 0.433 0.215
183 5 0.679 0.7907 0.7044
184 6 0.8211 0.7169 0.7957
185 7 0.7546 0.4283 0.7924
186 10 0.7554 0.5779 0.7115
187 13 0.6861 0.42 0.675
188 18 0.682 0.5864 0.8189
189 19 0.8134 0.6342 0.7583
190 22 0.6865 0.8708 0.7359
191 23 0.75 0.7536 0.7494
192 24 0.6164 0.7604 0.8239
193 25 0.8832 0.7424 0.6782
194 26 0.7897 0.503 0.754
195 36 0.577 0.956 0.759
196 37 0.574 0.957 0.615
197 5 0.321 0.7907 0.2956
198 6 0.1789 0.7169 0.2043
199 7 0.2454 0.4283 0.2076
200 10 0.2446 0.5779 0.2885
201 13 0.3139 0.42 0.325
202 18 0.318 0.5864 0.1811
203 19 0.1866 0.6342 0.2417
204 22 0.3135 0.8708 0.2641
205 23 0.25 0.7536 0.2506
206 24 0.3836 0.7604 0.1761
207 25 0.1168 0.7424 0.3218
208 26 0.2103 0.503 0.246
209 36 0.423 0.956 0.241
210 37 0.426 0.957 0.385
X-ray density (g/cm cub.) = 2.79
MU (1/cm) = 259.801 Mass attenuation coefficient (cm**2/g) = 92.974
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb ,Pb 3.312 8
2.224 15
2.9328 18
2.6836 28
2.4139 31
3.1324 32
1.0623 39
2.4139 31
2.9328 18
2 Pb ,Pb 3.312 7
3.0212 13
2.3236 21
2.569 27
0.6573 38
2.5857 40
2.5857 40
3.0212 13
3 Pb ,Pb 3.312 8
2.7277 15
2.6446 21
2.3607 31
3.0142 38
0.6761 40
2.7277 15
2.6446 21
3.0142 38
4 Pb ,Pb 3.312 10
3.2587 14
2.7474 15
2.5613 21
1.0229 31
3.2402 39
2.046 40
3.2587 14
2.7474 15
2.5613 21
3.2402 39
5 Al 2.484 4
1.6045 20
1.6025 22
1.5979 23
1.6272 24
6 Al 2.484 4
1.6275 17
1.6603 19
1.5981 23
1.579 25
7 Al 2.484 4
1.6069 13
1.6478 26
1.6541 27
1.6658 22
8 Al 2.484 4
1.6018 13
1.6106 15
1.6502 16
1.6018 13
9 Al 2.484 4
1.5675 14
1.6517 18
1.633 21
1.6517 18
10 Si 2.268 4
1.6487 18
1.6203 19
1.6506 26
1.6517 28
11 Si 2.268 4
1.7144 14
1.6163 24
1.6022 29
1.6163 24
12 Si 2.268 4
1.6238 16
1.6388 30
1.648 25
1.648 25
13 O 3.432 7
2.6438 15
2.6406 16
2.6613 26
2.5807 27
3.3565 38
2.6383 13
2.6982 22
14 O 3.432 9
2.6474 18
2.522 21
2.736 24
2.6611 29
3.0643 31
3.1483 14
3.0643 31
2.6474 18
2.736 24
15 O 3.432 9
2.6438 13
2.6239 16
3.2844 28
2.9266 31
3.1727 39
3.0379 40
2.9266 31
3.0379 40
2.6438 13
16 O 3.432 9
2.6406 13
2.6239 15
2.6299 30
3.0936 40
3.3504 16
3.0936 40
2.6406 13
2.7202 25
2.7202 25
17 O 3.432 7
2.7009 19
2.6703 23
2.5512 25
2.7009 19
2.6703 23
2.5512 25
3.1405 38
18 O 3.432 6
2.6474 14
2.7598 19
2.6899 21
2.7056 26
2.6082 28
2.7303 18
19 O 3.432 8
2.7009 17
2.7598 18
2.6564 23
2.5979 25
2.6258 26
2.6755 28
3.0493 33
3.2212 35
20 O 3.432 8
2.6146 22
2.5994 23
2.6092 24
3.2513 32
3.043 39
2.6146 22
2.5994 23
2.6092 24
21 O 3.432 10
2.522 14
2.6899 18
3.3187 27
3.1604 31
2.8642 38
2.8507 40
3.3543 21
3.1604 31
2.8507 40
2.6899 18
22 O 3.432 8
2.6146 20
2.6201 23
2.6509 24
2.716 36
2.9146 37
2.784 27
2.6982 13
2.6489 26
23 O 3.432 6
2.6703 17
2.6564 19
2.5994 20
2.6201 22
2.6598 24
2.6529 25
24 O 3.432 8
2.736 14
2.6092 20
2.6509 22
2.6598 23
2.6269 29
3.3784 32
3.3794 39
2.6549 24
25 O 3.432 7
2.5512 17
2.5979 19
2.6529 23
2.6865 25
2.7202 16
2.6506 30
3.3954 35
26 O 3.432 9
2.6613 13
2.7056 18
2.6258 19
2.7274 27
2.7151 28
3.2671 33
2.6489 22
2.7513 36
2.9893 37
27 O 3.432 8
2.5807 13
3.3187 21
2.7274 26
3.0607 38
2.5807 13
2.7274 26
2.784 22
2.784 22
28 O 3.432 7
3.2844 15
2.6082 18
2.6755 19
2.7151 26
2.6082 18
2.6755 19
2.7151 26
29 O 3.432 6
2.6611 14
2.6269 24
2.6611 14
2.6269 24
2.6269 24
2.6269 24
30 O 3.432 8
2.6299 16
3.3992 35
2.6299 16
3.3992 35
2.6506 25
2.6506 25
2.6506 25
2.6506 25
31 H(2)O,H(2)O 3.6 11
3.0643 14
2.9266 15
3.1604 21
3.2528 32
2.3899 39
3.0366 40
3.0643 14
2.9266 15
3.1604 21
2.8675 31
2.3899 39
32 H(2)O,H(2)O 3.6 10
3.2513 20
3.3784 24
3.2528 31
2.082 39
3.2513 20
3.3784 24
3.2528 31
2.082 39
3.3784 24
3.3784 24
33 H(2)O,H(2)O 3.6 11
2.164 34
2.7575 36
3.559 37
3.3038 33
2.164 34
2.7575 36
3.559 37
3.0493 19
3.2671 26
3.0493 19
3.2671 26
34 H(2)O,H(2)O 3.6 9
2.164 33
2.0423 36
2.7327 37
2.164 33
1.4925 34
3.0974 36
2.0423 36
2.7327 37
3.0974 36
35 H(2)O,H(2)O 3.6 10
3.3992 30
3.3616 36
2.8462 37
2.3709 35
3.3616 36
2.8462 37
3.2212 19
3.3954 25
3.2212 19
3.3954 25
36 H(2)O,H(2)O 3.6 10
2.716 22
2.7575 33
2.0423 34
3.3616 35
1.0872 37
3.0974 34
2.9928 36
3.1289 37
2.8199 37
2.7513 26
37 H(2)O,H(2)O 3.6 11
2.9146 22
3.559 33
2.7327 34
2.8462 35
1.0872 36
3.3584 37
3.1289 36
2.8762 37
2.8199 36
1.7337 37
2.9893 26
38 H(2)O,H(2)O 3.6 10
3.3565 13
2.8642 21
3.0607 27
2.5448 40
3.0706 38
2.5448 40
3.3565 13
3.1405 17
3.5838 25
3.5838 25
39 H(2)O,H(2)O 3.6 11
3.1727 15
3.4837 18
3.043 20
3.3794 24
3.4512 28
2.3899 31
2.082 32
2.3899 31
2.7208 39
3.4837 18
3.3794 24
40 H(2)O,H(2)O 3.6 10
3.0379 15
3.0936 16
2.8507 21
3.0366 31
2.5448 38
3.0379 15
3.0936 16
2.8507 21
2.5448 38
3.2413 40
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 3.192 6.383 0.036 642.27 4 558.5 9620.5
2 0 2 0 4.485 8.969 0.051 324.13 2 227.6 403.1
3 2 0 0 4.547 9.093 0.051 315.29 2 85.5 55.3
4 0 0 1 5.865 11.73 0.066 188.56 2 166.1 125.0
5 2 2 0 6.393 12.786 0.072 158.35 4 167.2 212.6
6 1 1 1 6.683 13.365 0.076 144.73 8 104.8 152.6
7 1 3 0 7.112 14.224 0.08 127.52 4 112.9 78.0
8 3 1 0 7.191 14.381 0.081 124.7 4 173.4 180.0
9 0 2 1 7.393 14.786 0.084 117.85 4 158.7 142.6
10 2 0 1 7.431 14.862 0.084 116.62 4 41.7 9.7
11 2 2 1 8.692 17.385 0.098 84.63 8 63.8 33.1
12 0 4 0 8.997 17.994 0.102 78.85 2 88.9 14.9
13 4 0 0 9.122 18.245 0.103 76.64 2 13.7 0.3
14 1 3 1 9.238 18.475 0.104 74.68 8 266.0 507.5
15 3 1 1 9.299 18.598 0.105 73.67 8 93.3 61.5
16 3 3 0 9.615 19.229 0.108 68.77 4 118.7 46.5
17 2 4 0 10.098 20.196 0.114 62.15 4 169.8 86.1
18 4 2 0 10.182 20.364 0.115 61.09 4 387.9 441.5
19 0 4 1 10.767 21.534 0.121 54.41 4 273.4 195.3
20 4 0 1 10.872 21.745 0.122 53.31 4 118.5 35.9
21 3 3 1 11.291 22.583 0.127 49.28 8 119.9 68.0
22 1 5 0 11.505 23.011 0.129 47.38 4 287.4 187.9
23 5 1 0 11.654 23.308 0.131 46.13 4 177.9 70.1
24 2 4 1 11.709 23.417 0.132 45.68 8 47.7 10.0
25 4 2 1 11.782 23.564 0.133 45.09 8 67.3 19.6
26 0 0 2 11.793 23.586 0.133 45.0 2 124.1 16.6
27 1 1 2 12.229 24.458 0.137 41.7 8 160.8 103.5
28 0 2 2 12.64 25.279 0.142 38.9 4 230.6 99.3
29 2 0 2 12.663 25.325 0.142 38.76 4 361.3 242.9
30 4 4 0 12.867 25.735 0.145 37.47 4 265.8 127.1
31 1 5 1 12.951 25.901 0.145 36.96 8 130.0 60.0
32 5 1 1 13.084 26.167 0.147 36.17 8 114.2 45.3
33 3 5 0 13.227 26.454 0.149 35.35 4 454.3 350.3
34 5 3 0 13.314 26.628 0.149 34.86 4 462.6 358.2
35 2 2 2 13.458 26.916 0.151 34.08 8 249.6 203.9
36 0 6 0 13.567 27.134 0.152 33.5 2 759.2 463.6
37 6 0 0 13.758 27.515 0.154 32.52 2 112.2 9.8
38 1 3 2 13.824 27.649 0.155 32.19 8 365.8 413.7
39 3 1 2 13.866 27.733 0.156 31.98 8 441.8 599.5
40 4 4 1 14.183 28.366 0.159 30.48 8 78.1 17.8
41 2 6 0 14.336 28.672 0.161 29.79 4 249.2 88.8
42 6 2 0 14.498 28.995 0.162 29.09 4 163.1 37.2
43 3 5 1 14.512 29.025 0.163 29.03 8 56.5 8.9
44 5 3 1 14.592 29.185 0.164 28.69 8 338.3 315.3
45 0 6 1 14.825 29.65 0.166 27.73 4 323.0 139.0
46 0 4 2 14.912 29.825 0.167 27.39 4 389.1 199.1
47 4 0 2 14.99 29.981 0.168 27.08 4 673.8 590.4
48 6 0 1 15.001 30.002 0.168 27.04 4 118.8 18.3
49 3 3 2 15.304 30.608 0.171 25.91 8 56.8 8.0
50 2 6 1 15.537 31.075 0.174 25.08 8 85.6 17.6
51 2 4 2 15.621 31.242 0.175 24.79 8 184.8 81.3
52 4 2 2 15.677 31.355 0.175 24.6 8 394.3 367.2
53 6 2 1 15.688 31.375 0.176 24.56 8 291.9 201.0
54 1 7 0 16.053 32.107 0.18 23.37 4 218.6 53.6
55 5 5 0 16.163 32.326 0.181 23.03 4 166.9 30.8
56 7 1 0 16.272 32.543 0.182 22.7 4 199.7 43.5
57 4 6 0 16.447 32.894 0.184 22.18 4 124.6 16.5
58 6 4 0 16.537 33.073 0.185 21.92 4 311.8 102.3
59 1 5 2 16.593 33.186 0.185 21.76 8 214.0 95.7
60 5 1 2 16.7 33.399 0.187 21.46 8 411.2 348.4
61 1 7 1 17.146 34.292 0.191 20.26 8 121.6 28.8
62 5 5 1 17.249 34.499 0.192 20.0 8 164.8 52.2
63 7 1 1 17.352 34.704 0.194 19.74 8 24.3 1.1
64 3 7 0 17.361 34.722 0.194 19.72 4 83.1 6.5
65 4 6 1 17.518 35.036 0.195 19.33 8 228.7 97.1
66 7 3 0 17.531 35.062 0.196 19.3 4 307.9 87.9
67 4 4 2 17.593 35.187 0.196 19.15 8 89.7 14.8
68 6 4 1 17.603 35.205 0.196 19.13 8 208.6 79.9
69 0 0 3 17.852 35.704 0.199 18.55 2 150.4 10.1
70 3 5 2 17.866 35.732 0.199 18.52 8 113.1 22.7
71 5 3 2 17.932 35.865 0.2 18.37 8 121.4 26.0
72 0 6 2 18.127 36.253 0.202 17.94 4 157.7 21.4
73 1 1 3 18.154 36.308 0.202 17.88 8 122.4 25.7
74 0 8 0 18.226 36.453 0.203 17.72 2 311.7 41.3
75 6 0 2 18.274 36.549 0.204 17.62 4 548.6 254.7
76 3 7 1 18.385 36.77 0.205 17.39 8 64.7 7.0
77 0 2 3 18.444 36.888 0.205 17.27 4 172.6 24.7
78 2 0 3 18.46 36.92 0.206 17.24 4 63.5 3.3
79 8 0 0 18.487 36.974 0.206 17.18 2 202.9 17.0
80 7 3 1 18.547 37.094 0.206 17.06 8 227.0 84.4
81 2 6 2 18.727 37.454 0.208 16.7 8 220.0 77.6
82 2 8 0 18.824 37.648 0.209 16.51 4 206.1 33.7
83 6 2 2 18.855 37.709 0.21 16.45 8 170.6 46.0
84 2 2 3 19.036 38.071 0.212 16.11 8 18.1 0.5
85 8 2 0 19.062 38.123 0.212 16.06 4 275.7 58.6
86 0 8 1 19.211 38.421 0.214 15.78 4 137.0 14.2
87 1 3 3 19.306 38.612 0.215 15.61 8 151.2 34.3
88 3 1 3 19.337 38.675 0.215 15.56 8 61.2 5.6
89 8 0 1 19.46 38.919 0.216 15.34 4 20.0 0.3
90 6 6 0 19.514 39.028 0.217 15.25 4 254.4 47.4
91 5 7 0 19.749 39.497 0.219 14.85 4 71.3 3.6
92 2 8 1 19.783 39.566 0.22 14.79 8 86.4 10.6
93 7 5 0 19.84 39.681 0.22 14.7 4 123.1 10.7
94 8 2 1 20.011 40.022 0.222 14.42 8 135.4 25.4
95 1 7 2 20.112 40.224 0.223 14.26 8 52.6 3.8
96 0 4 3 20.13 40.259 0.223 14.23 4 65.7 2.9
97 4 0 3 20.19 40.379 0.224 14.14 4 59.6 2.4
98 5 5 2 20.202 40.404 0.224 14.12 8 240.9 78.6
99 7 1 2 20.292 40.584 0.225 13.98 8 367.8 181.6
100 3 3 3 20.433 40.865 0.227 13.76 8 122.0 19.7
101 4 6 2 20.438 40.875 0.227 13.76 8 270.9 97.0
102 6 6 1 20.446 40.892 0.227 13.74 8 161.3 34.3
103 6 4 2 20.512 41.024 0.227 13.65 8 119.0 18.6
104 4 8 0 20.528 41.055 0.228 13.62 4 238.2 37.1
105 5 7 1 20.671 41.343 0.229 13.41 8 200.3 51.7
106 2 4 3 20.68 41.361 0.229 13.4 8 89.7 10.3
107 8 4 0 20.705 41.41 0.229 13.36 4 123.9 9.8
108 4 2 3 20.725 41.449 0.23 13.33 8 172.4 38.0
109 1 9 0 20.738 41.476 0.23 13.32 4 154.4 15.2
110 7 5 1 20.76 41.519 0.23 13.28 8 53.7 3.7
111 9 1 0 21.03 42.06 0.233 12.91 4 325.5 65.7
112 3 7 2 21.203 42.406 0.235 12.67 8 147.5 26.5
113 7 3 2 21.347 42.693 0.236 12.48 8 79.0 7.5
114 4 8 1 21.423 42.845 0.237 12.38 8 61.8 4.5
115 1 5 3 21.453 42.906 0.237 12.34 8 88.3 9.3
116 5 1 3 21.538 43.077 0.238 12.23 8 189.5 42.2
117 8 4 1 21.594 43.188 0.239 12.16 8 28.5 0.9
118 1 9 1 21.626 43.252 0.239 12.12 8 154.7 27.9
119 3 9 0 21.803 43.606 0.241 11.9 4 102.0 6.0
120 9 1 1 21.908 43.817 0.242 11.77 8 92.0 9.6
121 0 8 2 21.939 43.879 0.243 11.74 4 187.4 19.8
122 9 3 0 22.056 44.112 0.244 11.6 4 34.9 0.7
123 8 0 2 22.163 44.326 0.245 11.47 4 76.4 3.2
124 4 4 3 22.266 44.532 0.246 11.35 8 203.3 45.0
125 2 8 2 22.454 44.908 0.248 11.14 8 151.1 24.4
126 3 5 3 22.491 44.981 0.248 11.1 8 113.1 13.6
127 5 3 3 22.546 45.091 0.249 11.04 8 80.6 6.9
128 3 9 1 22.657 45.314 0.25 10.91 8 31.5 1.0
129 8 2 2 22.66 45.32 0.25 10.91 8 156.3 25.6
130 0 6 3 22.707 45.413 0.251 10.86 4 243.2 30.8
131 6 0 3 22.829 45.659 0.252 10.73 4 54.8 1.5
132 9 3 1 22.903 45.805 0.253 10.65 8 265.6 72.2
133 7 7 0 22.937 45.873 0.253 10.62 4 86.8 3.8
134 0 10 0 23.015 46.029 0.254 10.53 2 150.3 5.7
135 6 6 2 23.054 46.108 0.254 10.49 8 140.3 19.8
136 6 8 0 23.136 46.272 0.255 10.41 4 112.4 6.3
137 2 6 3 23.208 46.416 0.256 10.34 8 122.7 14.9
138 8 6 0 23.23 46.46 0.256 10.31 4 248.4 30.6
139 5 7 2 23.259 46.519 0.256 10.29 8 228.1 51.4
140 6 2 3 23.315 46.63 0.257 10.23 8 54.1 2.9
141 7 5 2 23.34 46.679 0.257 10.2 8 118.0 13.6
142 10 0 0 23.351 46.701 0.257 10.19 2 436.9 46.7
143 2 10 0 23.511 47.021 0.259 10.04 4 154.2 11.5
144 7 7 1 23.759 47.518 0.262 9.8 8 101.3 9.7
145 5 9 0 23.818 47.637 0.262 9.75 4 473.0 104.7
146 10 2 0 23.828 47.656 0.262 9.74 4 152.4 10.9
147 0 10 1 23.835 47.669 0.262 9.73 4 148.2 10.3
148 4 8 2 23.946 47.891 0.263 9.63 8 177.4 29.1
149 6 8 1 23.953 47.906 0.264 9.62 8 301.0 83.7
150 9 5 0 24.002 48.004 0.264 9.58 4 91.5 3.8
151 8 6 1 24.045 48.089 0.264 9.54 8 75.9 5.3
152 8 4 2 24.103 48.205 0.265 9.49 8 201.6 37.0
153 0 0 4 24.126 48.252 0.265 9.47 2 880.1 176.0
154 1 9 2 24.132 48.264 0.265 9.46 8 352.8 113.1
155 10 0 1 24.162 48.324 0.266 9.43 4 104.7 5.0
156 2 10 1 24.318 48.636 0.267 9.3 8 57.8 3.0
157 1 1 4 24.363 48.726 0.268 9.26 8 354.3 111.6
158 1 7 3 24.384 48.768 0.268 9.24 8 221.4 43.5
159 9 1 2 24.392 48.783 0.268 9.23 8 85.2 6.4
160 5 5 3 24.462 48.923 0.269 9.17 8 122.9 13.3
161 7 1 3 24.539 49.078 0.27 9.11 8 13.5 0.2
162 0 2 4 24.592 49.184 0.27 9.06 4 178.8 13.9
163 2 0 4 24.605 49.21 0.27 9.05 4 83.5 3.0
164 5 9 1 24.618 49.236 0.27 9.04 8 156.9 21.4
165 10 2 1 24.628 49.255 0.27 9.03 8 178.8 27.7
166 4 6 3 24.664 49.329 0.271 9.0 8 127.1 14.0
167 6 4 3 24.728 49.457 0.272 8.95 8 192.0 31.7
168 9 5 1 24.797 49.595 0.272 8.89 8 79.7 5.4
169 4 10 0 24.954 49.908 0.274 8.77 4 252.7 26.9
170 2 2 4 25.065 50.129 0.275 8.68 8 100.7 8.5
171 3 9 2 25.083 50.166 0.275 8.66 8 118.7 11.7
172 10 4 0 25.22 50.44 0.277 8.56 4 11.2 0.1
173 1 3 4 25.283 50.565 0.277 8.51 8 57.4 2.7
174 3 1 4 25.308 50.616 0.277 8.49 8 143.8 16.9
175 9 3 2 25.31 50.621 0.278 8.49 8 170.5 23.7
176 3 7 3 25.328 50.656 0.278 8.47 8 102.1 8.5
177 7 3 3 25.454 50.908 0.279 8.38 8 304.1 74.4
178 1 11 0 25.587 51.174 0.28 8.28 4 82.7 2.7
179 4 10 1 25.727 51.454 0.282 8.18 8 113.7 10.1
180 0 4 4 25.953 51.907 0.284 8.02 4 52.1 1.0
181 11 1 0 25.96 51.92 0.284 8.01 4 309.0 36.7
182 0 8 3 25.973 51.947 0.284 8.0 4 206.7 16.4
183 10 4 1 25.988 51.975 0.284 7.99 8 138.9 14.8
184 4 0 4 26.003 52.006 0.285 7.98 4 7.2 0.0
185 7 7 2 26.107 52.214 0.286 7.91 8 141.2 15.1
186 8 0 3 26.171 52.341 0.286 7.87 4 64.8 1.6
187 0 10 2 26.178 52.356 0.286 7.86 4 267.5 27.0
188 3 3 4 26.203 52.406 0.287 7.84 8 115.6 10.1
189 6 8 2 26.288 52.577 0.287 7.79 8 212.6 33.8
190 1 11 1 26.347 52.694 0.288 7.75 8 195.8 28.5
191 8 6 2 26.374 52.748 0.288 7.73 8 67.5 3.4
192 2 4 4 26.408 52.816 0.289 7.71 8 72.8 3.9
193 2 8 3 26.428 52.856 0.289 7.69 8 33.8 0.8
194 4 2 4 26.445 52.889 0.289 7.68 8 146.1 15.8
195 8 8 0 26.448 52.896 0.289 7.68 4 157.3 9.1
196 10 0 2 26.484 52.968 0.289 7.66 4 57.2 1.2
197 3 11 0 26.5 53.0 0.29 7.65 4 398.2 58.2
198 8 2 3 26.611 53.221 0.291 7.57 8 167.3 20.4
199 7 9 0 26.622 53.243 0.291 7.57 4 258.2 24.2
200 2 10 2 26.63 53.26 0.291 7.56 8 175.9 22.5
201 11 1 1 26.712 53.425 0.292 7.51 8 126.6 11.6
202 9 7 0 26.719 53.437 0.292 7.5 4 221.0 17.6
203 11 3 0 26.84 53.679 0.293 7.43 4 145.0 7.5
204 5 9 2 26.911 53.822 0.294 7.38 8 176.0 22.0
205 10 2 2 26.92 53.84 0.294 7.38 8 150.9 16.1
206 6 6 3 26.961 53.923 0.294 7.35 8 223.8 35.3
207 1 5 4 27.053 54.106 0.295 7.29 8 127.6 11.4
208 9 5 2 27.08 54.159 0.295 7.28 8 284.7 56.6
209 5 1 4 27.125 54.25 0.296 7.25 8 167.6 19.6
210 5 7 3 27.144 54.289 0.296 7.24 8 172.5 20.7
211 8 8 1 27.191 54.382 0.297 7.21 8 100.6 7.0
212 7 5 3 27.216 54.433 0.297 7.19 8 70.5 3.4
213 6 10 0 27.233 54.466 0.297 7.18 4 122.6 5.2
214 3 11 1 27.242 54.484 0.297 7.18 8 103.5 7.4
215 7 9 1 27.361 54.723 0.298 7.11 8 129.2 11.4
216 10 6 0 27.424 54.848 0.299 7.07 4 143.8 7.0
217 9 7 1 27.457 54.913 0.299 7.05 8 122.3 10.1
218 11 3 1 27.575 55.15 0.3 6.98 8 224.0 33.6
219 4 4 4 27.741 55.482 0.302 6.89 8 259.2 44.4
220 4 8 3 27.76 55.52 0.302 6.88 8 89.7 5.3
221 8 4 3 27.901 55.803 0.304 6.8 8 117.4 9.0
222 1 9 3 27.928 55.856 0.304 6.79 8 96.8 6.1
223 3 5 4 27.932 55.865 0.304 6.78 8 211.1 29.0
224 4 10 2 27.955 55.911 0.304 6.77 8 103.2 6.9
225 6 10 1 27.962 55.924 0.304 6.77 8 137.4 12.3
226 5 3 4 27.979 55.959 0.305 6.76 8 293.4 55.9
227 0 12 0 27.98 55.959 0.305 6.76 2 107.0 1.9
228 0 6 4 28.117 56.234 0.306 6.68 4 309.4 30.7
229 10 6 1 28.149 56.299 0.306 6.66 8 146.4 13.7
230 9 1 3 28.162 56.325 0.306 6.66 8 183.8 21.6
231 10 4 2 28.201 56.403 0.307 6.64 8 255.0 41.5
232 6 0 4 28.222 56.445 0.307 6.63 4 126.9 5.1
233 5 11 0 28.263 56.527 0.307 6.6 4 167.8 8.9
234 12 0 0 28.4 56.801 0.309 6.53 2 554.0 48.1
235 2 12 0 28.412 56.824 0.309 6.53 4 200.3 12.6
236 1 11 2 28.542 57.084 0.31 6.46 8 158.8 15.6
237 11 5 0 28.543 57.085 0.31 6.46 4 165.3 8.5
238 2 6 4 28.548 57.096 0.31 6.46 8 97.0 5.8
239 6 2 4 28.641 57.281 0.311 6.41 8 132.7 10.8
240 0 12 1 28.696 57.391 0.312 6.38 4 277.7 23.6
241 3 9 3 28.789 57.579 0.313 6.33 8 50.2 1.5
242 12 2 0 28.817 57.634 0.313 6.32 4 92.0 2.6
243 11 1 2 28.888 57.776 0.314 6.29 8 78.2 3.7
244 5 11 1 28.975 57.95 0.314 6.24 8 136.0 11.1
245 9 3 3 28.996 57.993 0.315 6.23 8 42.4 1.1
246 12 0 1 29.11 58.219 0.316 6.18 4 49.6 0.7
247 2 12 1 29.121 58.242 0.316 6.17 8 101.5 6.1
248 11 5 1 29.25 58.499 0.317 6.11 8 91.4 4.9
249 8 8 2 29.343 58.686 0.318 6.07 8 71.1 2.9
250 3 11 2 29.392 58.783 0.319 6.05 8 92.4 5.0
251 7 9 2 29.505 59.01 0.32 5.99 8 138.7 11.1
252 12 2 1 29.52 59.04 0.32 5.99 8 87.4 4.4
253 1 7 4 29.571 59.142 0.32 5.96 8 168.5 16.3
254 9 7 2 29.596 59.192 0.321 5.95 8 36.3 0.8
255 5 5 4 29.639 59.278 0.321 5.93 8 202.4 23.3
256 4 12 0 29.684 59.369 0.321 5.91 4 105.4 3.2
257 7 1 4 29.707 59.413 0.322 5.9 8 121.6 8.4
258 11 3 2 29.709 59.418 0.322 5.9 8 324.8 59.8
259 7 7 3 29.725 59.45 0.322 5.89 8 52.7 1.6
260 0 10 3 29.79 59.58 0.322 5.87 4 99.5 2.8
261 4 6 4 29.817 59.634 0.323 5.85 8 84.7 4.0
262 6 4 4 29.873 59.746 0.323 5.83 8 245.4 33.7
263 6 8 3 29.891 59.783 0.323 5.82 8 32.0 0.6
264 8 6 3 29.97 59.94 0.324 5.79 8 127.1 9.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 3.192 6.383 13.83569 9620.5 100.0 100.0 5.5
2 0 2 0 4.485 8.969 9.851 403.1 4.2 4.2 5.6
3 0 0 1 5.865 11.73 7.538 125.0 1.3 1.3 5.6
4 2 2 0 6.393 12.786 6.91785 212.6 2.2 2.2 5.6
5 1 1 1 6.683 13.365 6.61933 152.6 1.6 1.6 5.6
6 3 1 0 7.191 14.381 6.15389 180.0 1.9 1.9 5.6
7 0 2 1 7.393 14.786 5.98644 142.6 1.5 1.5 5.6
8 1 3 1 9.238 18.475 4.79836 507.5 5.3 5.2 5.6
9 4 2 0 10.182 20.364 4.35736 441.5 4.6 4.6 5.6
10 0 4 1 10.767 21.534 4.12329 195.3 2.0 2.0 5.6
11 1 5 0 11.505 23.011 3.86182 187.9 2.0 1.9 5.6
12 1 1 2 12.229 24.458 3.63649 103.5 1.1 1.1 5.6
13 2 0 2 12.663 25.325 3.51393 342.2 3.6 3.5 5.6
14 4 4 0 12.867 25.735 3.45892 127.1 1.3 1.3 5.6
15 3 5 0 13.227 26.454 3.36651 350.3 3.6 3.6 5.6
16 5 3 0 13.314 26.628 3.34489 358.2 3.7 3.7 5.6
17 2 2 2 13.458 26.916 3.30967 203.9 2.1 2.1 5.6
18 0 6 0 13.567 27.134 3.28367 463.6 4.8 4.8 5.6
19 1 3 2 13.824 27.649 3.22364 413.7 4.3 4.2 5.6
20 3 1 2 13.866 27.733 3.21409 599.5 6.2 6.1 5.6
21 5 3 1 14.592 29.185 3.0574 315.3 3.3 3.2 5.6
22 0 6 1 14.825 29.65 3.01044 139.0 1.4 1.4 5.6
23 0 4 2 14.912 29.825 2.99322 199.1 2.1 2.0 5.6
24 4 0 2 14.99 29.981 2.97799 608.7 6.3 6.2 5.6
25 4 2 2 15.677 31.355 2.85058 568.2 5.9 5.8 5.6
26 6 4 0 16.537 33.073 2.70628 102.3 1.1 1.0 5.6
27 5 1 2 16.7 33.399 2.68061 348.4 3.6 3.6 5.7
28 4 6 1 17.518 35.036 2.55901 185.0 1.9 1.9 5.7
29 6 0 2 18.274 36.549 2.45652 254.7 2.6 2.6 5.7
30 7 1 2 20.292 40.584 2.22106 181.6 1.9 1.8 5.7
31 6 6 1 20.446 40.892 2.20508 151.0 1.6 1.5 5.7
32 5 9 0 23.818 47.637 1.90739 125.8 1.3 1.3 5.7
33 6 8 1 23.953 47.906 1.89731 112.8 1.2 1.1 5.7
34 0 0 4 24.126 48.252 1.8845 326.2 3.4 3.3 5.7
35 1 1 4 24.363 48.726 1.86726 161.6 1.7 1.6 5.7
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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