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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MARIALITE
3, 4.7% Me, f-feldspathoid, s-scapolite, DN
Na(4)Al(3)Si(9)O(24)Cl
Tetragonal I 4/m Z = 2
R =0.0326 NR =1225
23 .1 .1996
Ref.Str.:
Kabalov Yu.K., Sokolova E.V., Urusov V.S. (1995)
* Kristallogr., 40, 5, 829-832
Reserv:
[Na(7.104)Ca(0.376)K(0.508)][Si(17.29)Al(6.11)]O(48).
{Cl(1.938)[SO(4)](0.036)[CO(3)](0.026)}
Rietveld refinement. There are U(ij) in the article D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.047 alpha = 90.0
b = 12.047 beta = 90.0
c = 7.5602 gamma = 90.0
Unit cell volume (cub. angs.) = 1097.21
Molar volume ( cub.cm/mol.) = 330.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3751 0.2981 0.5 3.63 Na = 0.43, Ca = 0.02, K = 0.03
2 0.3373 0.4109 0.0 0.71 Si = 1.00
3 0.6611 0.9151 0.7939 0.53 Si = 0.6 , Al = 0.4
4 0.4533 0.3524 0.0 1.8 O = 1.00
5 0.6941 0.8801 0.0 1.7 O = 1.00
6 0.3518 0.9485 0.7892 1.4 O = 1.00
7 0.2718 0.3726 0.8216 1.5 O = 1.00
8 0.5 0.5 0.5 4.7 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3751 0.2981 0.5
2 2 0.3373 0.4109 0.0
3 3 0.6611 0.9151 0.7939
4 4 0.4533 0.3524 0.0
5 5 0.6941 0.8801 0.0
6 6 0.3518 0.9485 0.7892
7 7 0.2718 0.3726 0.8216
8 8 0.5 0.5 0.5
9 1 0.7019 0.3751 0.5
10 1 0.6249 0.7019 0.5
11 1 0.2981 0.6249 0.5
12 2 0.5891 0.3373 0.0
13 2 0.6627 0.5891 0.0
14 2 0.4109 0.6627 0.0
15 3 0.0849 0.6611 0.7939
16 3 0.3389 0.0849 0.7939
17 3 0.9151 0.3389 0.7939
18 4 0.6476 0.4533 0.0
19 4 0.5467 0.6476 0.0
20 4 0.3524 0.5467 0.0
21 5 0.1199 0.6941 0.0
22 5 0.3059 0.1199 0.0
23 5 0.8801 0.3059 0.0
24 6 0.0515 0.3518 0.7892
25 6 0.6482 0.0515 0.7892
26 6 0.9485 0.6482 0.7892
27 7 0.6274 0.2718 0.8216
28 7 0.7282 0.6274 0.8216
29 7 0.3726 0.7282 0.8216
30 1 0.1249 0.2019 0.0
31 2 0.1627 0.0891 0.5
32 3 0.8389 0.5849 0.2939
33 4 0.0467 0.1476 0.5
34 5 0.8059 0.6199 0.5
35 6 0.1482 0.5515 0.2892
36 7 0.2282 0.1274 0.3216
37 8 0.0 0.0 0.0
38 1 0.7981 0.1249 0.0
39 1 0.8751 0.7981 0.0
40 1 0.2019 0.8751 0.0
41 2 0.9109 0.1627 0.5
42 2 0.8373 0.9109 0.5
43 2 0.0891 0.8373 0.5
44 3 0.4151 0.8389 0.2939
45 3 0.1611 0.4151 0.2939
46 3 0.5849 0.1611 0.2939
47 4 0.8524 0.0467 0.5
48 4 0.9533 0.8524 0.5
49 4 0.1476 0.9533 0.5
50 5 0.3801 0.8059 0.5
51 5 0.1941 0.3801 0.5
52 5 0.6199 0.1941 0.5
53 6 0.4485 0.1482 0.2892
54 6 0.8518 0.4485 0.2892
55 6 0.5515 0.8518 0.2892
56 7 0.8726 0.2282 0.3216
57 7 0.7718 0.8726 0.3216
58 7 0.1274 0.7718 0.3216
59 3 0.6611 0.9151 0.2061
60 6 0.3518 0.9485 0.2108
61 7 0.2718 0.3726 0.1784
62 3 0.0849 0.6611 0.2061
63 3 0.3389 0.0849 0.2061
64 3 0.9151 0.3389 0.2061
65 6 0.0515 0.3518 0.2108
66 6 0.6482 0.0515 0.2108
67 6 0.9485 0.6482 0.2108
68 7 0.6274 0.2718 0.1784
69 7 0.7282 0.6274 0.1784
70 7 0.3726 0.7282 0.1784
71 3 0.8389 0.5849 0.7061
72 6 0.1482 0.5515 0.7108
73 7 0.2282 0.1274 0.6784
74 3 0.4151 0.8389 0.7061
75 3 0.1611 0.4151 0.7061
76 3 0.5849 0.1611 0.7061
77 6 0.4485 0.1482 0.7108
78 6 0.8518 0.4485 0.7108
79 6 0.5515 0.8518 0.7108
80 7 0.8726 0.2282 0.6784
81 7 0.7718 0.8726 0.6784
82 7 0.1274 0.7718 0.6784
X-ray density (g/cm cub.) = 2.42
MU (1/cm) = 90.265 Mass attenuation coefficient (cm**2/g) = 37.238
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,Ca ,K 3.768 9
2.875 7
2.8601 8
3.0298 7
2.3938 5
3.2042 5
2.5657 6
2.875 7
3.0298 7
2.5657 6
2 Si 2.64 4
1.5651 4
1.6293 7
1.6461 4
1.6293 7
3 Si ,Al 2.856 4
1.6624 5
1.6509 6
1.6491 6
1.6743 7
4 O 3.804 10
2.5805 7
2.6375 4
3.73 4
2.6375 4
3.3164 5
2.676 7
3.2917 6
2.5805 7
2.676 7
3.2917 6
5 O 3.804 9
3.3164 4
2.6663 6
3.3549 7
2.8014 6
2.6069 7
2.6663 6
3.3549 7
2.8014 6
2.6069 7
6 O 3.804 10
2.6663 5
3.7802 6
2.677 7
3.2917 4
2.8014 5
3.1874 6
2.7502 7
2.7379 6
2.7379 6
3.5413 7
7 O 3.804 9
2.5805 4
2.676 4
3.3549 5
2.677 6
2.6069 5
2.6975 7
2.7502 6
3.1896 7
3.5413 6
8 Cl 4.344 20
4.2151 4
4.2151 4
3.978 7
4.2151 4
4.2151 4
4.2151 4
4.2151 4
4.2151 4
4.2151 4
3.978 7
3.978 7
3.978 7
3.9581 5
3.9581 5
3.9581 5
3.9581 5
3.978 7
3.978 7
3.978 7
3.978 7
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 5.188 10.376 0.059 241.62 4 44.0 155.1
2 1 0 1 6.909 13.817 0.078 135.27 8 60.8 331.8
3 2 0 0 7.347 14.694 0.083 119.35 4 15.6 9.7
4 1 2 1 10.111 20.223 0.114 61.97 8 25.8 27.3
5 2 1 1 10.111 20.223 0.114 61.97 8 10.9 4.9
6 2 2 0 10.419 20.838 0.117 58.24 4 67.0 86.9
7 1 3 0 11.665 23.331 0.131 46.03 4 74.8 85.6
8 3 1 0 11.665 23.331 0.131 46.03 4 209.5 671.1
9 0 0 2 11.758 23.515 0.132 45.28 2 50.0 18.8
10 3 0 1 12.545 25.089 0.141 39.53 8 129.2 438.2
11 1 1 2 12.881 25.763 0.145 37.38 8 200.4 997.2
12 2 0 2 13.92 27.841 0.156 31.72 8 10.8 2.5
13 2 3 1 14.599 29.197 0.164 28.66 8 160.9 493.2
14 3 2 1 14.599 29.197 0.164 28.66 8 16.4 5.1
15 4 0 0 14.819 29.637 0.166 27.76 4 196.1 354.6
16 3 3 0 15.74 31.48 0.176 24.39 4 69.0 38.6
17 2 2 2 15.81 31.62 0.177 24.15 8 39.3 24.8
18 1 4 1 16.417 32.835 0.183 22.26 8 105.6 165.1
19 4 1 1 16.417 32.835 0.183 22.26 8 0.9 0.0
20 2 4 0 16.615 33.231 0.186 21.69 4 81.2 47.6
21 4 2 0 16.615 33.231 0.186 21.69 4 3.8 0.1
22 1 3 2 16.682 33.365 0.186 21.5 8 47.1 31.7
23 3 1 2 16.682 33.365 0.186 21.5 8 129.6 240.1
24 1 0 3 18.196 36.393 0.203 17.79 8 35.6 15.0
25 1 5 0 19.028 38.056 0.212 16.12 4 68.5 25.2
26 5 1 0 19.028 38.056 0.212 16.12 4 16.6 1.5
27 4 0 2 19.087 38.175 0.212 16.01 8 35.4 13.3
28 3 4 1 19.605 39.211 0.218 15.09 8 55.0 30.3
29 4 3 1 19.605 39.211 0.218 15.09 8 71.7 51.6
30 5 0 1 19.605 39.211 0.218 15.09 8 16.6 2.8
31 1 2 3 19.721 39.442 0.219 14.89 8 29.6 8.6
32 2 1 3 19.721 39.442 0.219 14.89 8 27.6 7.5
33 3 3 2 19.833 39.666 0.22 14.71 8 50.5 24.9
34 2 4 2 20.556 41.112 0.228 13.58 8 6.5 0.4
35 4 2 2 20.556 41.112 0.228 13.58 8 67.2 40.7
36 2 5 1 21.044 42.088 0.233 12.89 8 20.4 3.6
37 5 2 1 21.044 42.088 0.233 12.89 8 42.7 15.6
38 3 0 3 21.153 42.306 0.234 12.74 8 83.8 59.5
39 4 4 0 21.204 42.409 0.235 12.67 4 18.6 1.4
40 3 5 0 21.89 43.78 0.242 11.79 4 75.4 22.3
41 5 3 0 21.89 43.78 0.242 11.79 4 22.2 1.9
42 2 3 3 22.51 45.021 0.249 11.08 8 17.1 2.2
43 3 2 3 22.51 45.021 0.249 11.08 8 81.9 49.3
44 6 0 0 22.559 45.118 0.249 11.02 4 27.5 2.8
45 1 5 2 22.611 45.222 0.25 10.96 8 34.4 8.6
46 5 1 2 22.611 45.222 0.25 10.96 8 11.5 1.0
47 1 6 1 23.707 47.413 0.261 9.85 8 5.6 0.2
48 6 1 1 23.707 47.413 0.261 9.85 8 93.1 56.8
49 1 4 3 23.806 47.612 0.262 9.76 8 141.4 129.6
50 4 1 3 23.806 47.612 0.262 9.76 8 77.3 38.8
51 2 6 0 23.853 47.706 0.262 9.71 4 122.3 48.2
52 6 2 0 23.853 47.706 0.262 9.71 4 164.4 87.2
53 0 0 4 24.051 48.101 0.265 9.53 2 256.2 104.0
54 4 4 2 24.529 49.057 0.269 9.12 8 25.7 4.0
55 1 1 4 24.674 49.348 0.271 8.99 8 10.5 0.7
56 4 5 1 24.955 49.909 0.274 8.77 8 57.9 19.5
57 5 4 1 24.955 49.909 0.274 8.77 8 12.4 0.9
58 3 5 2 25.143 50.286 0.276 8.62 8 103.0 60.8
59 5 3 2 25.143 50.286 0.276 8.62 8 83.0 39.4
60 2 0 4 25.286 50.572 0.277 8.51 8 19.4 2.1
61 6 0 2 25.747 51.494 0.282 8.16 8 32.1 5.6
62 3 6 1 26.158 52.317 0.286 7.87 8 75.8 30.1
63 6 3 1 26.158 52.317 0.286 7.87 8 38.3 7.7
64 3 4 3 26.251 52.502 0.287 7.81 8 12.6 0.8
65 4 3 3 26.251 52.502 0.287 7.81 8 24.5 3.1
66 5 0 3 26.251 52.502 0.287 7.81 8 65.9 22.5
67 2 2 4 26.479 52.958 0.289 7.66 8 28.0 4.0
68 1 7 0 26.88 53.76 0.293 7.4 4 114.4 32.2
69 5 5 0 26.88 53.76 0.293 7.4 4 11.9 0.4
70 7 1 0 26.88 53.76 0.293 7.4 4 138.1 46.9
71 2 6 2 26.925 53.851 0.294 7.37 8 22.8 2.5
72 6 2 2 26.925 53.851 0.294 7.37 8 3.8 0.1
73 1 3 4 27.061 54.123 0.295 7.29 8 9.1 0.4
74 3 1 4 27.061 54.123 0.295 7.29 8 44.9 9.8
75 7 0 1 27.324 54.649 0.298 7.13 8 14.4 1.0
76 2 5 3 27.414 54.828 0.299 7.08 8 70.9 23.6
77 5 2 3 27.414 54.828 0.299 7.08 8 40.9 7.9
78 4 6 0 27.456 54.913 0.299 7.05 4 59.4 8.3
79 6 4 0 27.456 54.913 0.299 7.05 4 42.0 4.1
80 2 7 1 28.458 56.915 0.309 6.5 8 81.3 28.6
81 7 2 1 28.458 56.915 0.309 6.5 8 31.3 4.2
82 4 0 4 28.761 57.521 0.312 6.35 8 88.9 33.3
83 3 7 0 29.14 58.281 0.316 6.16 4 28.1 1.6
84 7 3 0 29.14 58.281 0.316 6.16 4 80.3 13.2
85 3 3 4 29.313 58.625 0.318 6.08 8 10.1 0.4
86 1 6 3 29.648 59.295 0.321 5.93 8 94.6 35.3
87 6 1 3 29.648 59.295 0.321 5.93 8 84.7 28.3
88 1 7 2 29.73 59.461 0.322 5.89 8 40.2 6.3
89 5 5 2 29.73 59.461 0.322 5.89 8 21.8 1.9
90 7 1 2 29.73 59.461 0.322 5.89 8 67.6 17.9
91 2 4 4 29.858 59.716 0.323 5.84 8 20.3 1.6
92 4 2 4 29.858 59.716 0.323 5.84 8 16.8 1.1
93 4 6 2 30.271 60.543 0.327 5.66 8 10.4 0.4
94 6 4 2 30.271 60.543 0.327 5.66 8 33.7 4.3
95 5 6 1 30.642 61.284 0.331 5.51 8 40.4 6.0
96 6 5 1 30.642 61.284 0.331 5.51 8 21.0 1.6
97 4 5 3 30.726 61.451 0.332 5.47 8 24.5 2.2
98 5 4 3 30.726 61.451 0.332 5.47 8 96.3 33.8
99 8 0 0 30.765 61.53 0.332 5.46 4 21.6 0.8
100 1 0 5 30.892 61.785 0.333 5.41 8 23.5 2.0
101 1 5 4 31.46 62.921 0.339 5.2 8 17.5 1.1
102 5 1 4 31.46 62.921 0.339 5.2 8 35.5 4.3
103 1 8 1 31.7 63.4 0.341 5.11 8 7.8 0.2
104 4 7 1 31.7 63.4 0.341 5.11 8 49.7 8.4
105 7 4 1 31.7 63.4 0.341 5.11 8 40.6 5.6
106 8 1 1 31.7 63.4 0.341 5.11 8 26.0 2.3
107 3 6 3 31.782 63.564 0.342 5.08 8 12.1 0.5
108 6 3 3 31.782 63.564 0.342 5.08 8 60.3 12.3
109 2 8 0 31.82 63.641 0.342 5.07 4 64.9 7.1
110 8 2 0 31.82 63.641 0.342 5.07 4 52.6 4.7
111 3 7 2 31.861 63.723 0.343 5.05 8 106.7 38.2
112 7 3 2 31.861 63.723 0.343 5.05 8 101.7 34.7
113 1 2 5 31.946 63.891 0.343 5.02 8 81.6 22.2
114 2 1 5 31.946 63.891 0.343 5.02 8 0.5 0.0
115 7 0 3 32.819 65.638 0.352 4.74 8 108.6 37.1
116 6 6 0 32.857 65.714 0.352 4.73 4 181.0 51.5
117 3 0 5 32.98 65.96 0.353 4.69 8 144.8 65.4
118 4 4 4 33.018 66.036 0.354 4.68 8 34.5 3.7
119 5 7 0 33.369 66.738 0.357 4.58 4 20.1 0.6
120 7 5 0 33.369 66.738 0.357 4.58 4 101.7 15.7
121 8 0 2 33.409 66.818 0.357 4.56 8 15.0 0.7
122 3 5 4 33.529 67.057 0.359 4.53 8 16.0 0.8
123 5 3 4 33.529 67.057 0.359 4.53 8 36.6 4.0
124 3 8 1 33.76 67.521 0.361 4.46 8 19.3 1.1
125 8 3 1 33.76 67.521 0.361 4.46 8 26.0 2.0
126 2 7 3 33.84 67.679 0.361 4.44 8 85.6 21.6
127 7 2 3 33.84 67.679 0.361 4.44 8 16.8 0.8
128 2 3 5 33.998 67.996 0.363 4.4 8 148.0 64.0
129 3 2 5 33.998 67.996 0.363 4.4 8 9.9 0.3
130 6 0 4 34.035 68.071 0.363 4.39 8 29.0 2.4
131 2 8 2 34.421 68.842 0.367 4.29 8 147.5 62.0
132 8 2 2 34.421 68.842 0.367 4.29 8 151.1 65.0
133 4 8 0 34.882 69.765 0.371 4.17 4 106.2 15.6
134 8 4 0 34.882 69.765 0.371 4.17 4 83.7 9.7
135 1 4 5 35.002 70.004 0.372 4.14 8 34.2 3.2
136 4 1 5 35.002 70.004 0.372 4.14 8 30.9 2.6
137 2 6 4 35.039 70.077 0.373 4.14 8 45.5 5.7
138 6 2 4 35.039 70.077 0.373 4.14 8 103.8 29.6
139 1 9 0 35.38 70.76 0.376 4.06 4 130.6 23.0
140 9 1 0 35.38 70.76 0.376 4.06 4 4.5 0.0
141 6 6 2 35.419 70.838 0.376 4.05 8 55.3 8.2
142 9 0 1 35.761 71.522 0.379 3.97 8 57.1 8.6
143 5 6 3 35.838 71.677 0.38 3.95 8 116.4 35.6
144 6 5 3 35.838 71.677 0.38 3.95 8 30.2 2.4
145 5 7 2 35.913 71.827 0.381 3.94 8 80.5 17.0
146 7 5 2 35.913 71.827 0.381 3.94 8 61.5 9.9
147 2 9 1 36.744 73.487 0.388 3.77 8 9.8 0.2
148 6 7 1 36.744 73.487 0.388 3.77 8 48.1 5.8
149 7 6 1 36.744 73.487 0.388 3.77 8 63.0 9.9
150 9 2 1 36.744 73.487 0.388 3.77 8 69.7 12.1
151 1 8 3 36.82 73.64 0.389 3.75 8 63.4 10.0
152 4 7 3 36.82 73.64 0.389 3.75 8 38.2 3.6
153 7 4 3 36.82 73.64 0.389 3.75 8 24.3 1.5
154 8 1 3 36.82 73.64 0.389 3.75 8 70.8 12.5
155 3 4 5 36.973 73.946 0.39 3.72 8 35.3 3.1
156 4 3 5 36.973 73.946 0.39 3.72 8 105.2 27.4
157 5 0 5 36.973 73.946 0.39 3.72 8 57.4 8.2
158 3 9 0 37.343 74.686 0.394 3.66 4 8.8 0.1
159 9 3 0 37.343 74.686 0.394 3.66 4 46.9 2.7
160 4 8 2 37.381 74.762 0.394 3.65 8 22.0 1.2
161 8 4 2 37.381 74.762 0.394 3.65 8 32.0 2.5
162 1 7 4 37.495 74.99 0.395 3.63 8 75.4 13.7
163 5 5 4 37.495 74.99 0.395 3.63 8 12.4 0.4
164 7 1 4 37.495 74.99 0.395 3.63 8 52.8 6.7
165 0 0 6 37.685 75.37 0.397 3.6 2 153.3 14.0
166 5 8 1 37.716 75.432 0.397 3.59 8 15.5 0.6
167 8 5 1 37.716 75.432 0.397 3.59 8 9.1 0.2
168 1 9 2 37.865 75.731 0.398 3.57 8 93.8 20.9
169 9 1 2 37.865 75.731 0.398 3.57 8 67.0 10.6
170 2 5 5 37.943 75.887 0.399 3.55 8 29.2 2.0
171 5 2 5 37.943 75.887 0.399 3.55 8 40.8 3.9
172 4 6 4 37.979 75.958 0.399 3.55 8 22.8 1.2
173 6 4 4 37.979 75.958 0.399 3.55 8 4.9 0.1
174 1 1 6 38.168 76.336 0.401 3.52 8 41.4 4.0
175 2 0 6 38.649 77.298 0.405 3.44 8 17.0 0.7
176 3 8 3 38.755 77.511 0.406 3.43 8 8.8 0.2
177 8 3 3 38.755 77.511 0.406 3.43 8 19.9 0.9
178 7 7 0 39.27 78.539 0.411 3.35 4 34.5 1.3
179 3 7 4 39.419 78.838 0.412 3.33 8 49.9 5.5
180 7 3 4 39.419 78.838 0.412 3.33 8 45.3 4.5
181 2 2 6 39.606 79.212 0.414 3.31 8 7.8 0.1
182 4 9 1 39.637 79.274 0.414 3.3 8 15.7 0.5
183 9 4 1 39.637 79.274 0.414 3.3 8 32.3 2.3
184 6 8 0 39.747 79.494 0.415 3.29 4 4.1 0.0
185 8 6 0 39.747 79.494 0.415 3.29 4 43.4 2.1
186 10 0 0 39.747 79.494 0.415 3.29 4 43.1 2.0
187 3 9 2 39.784 79.568 0.415 3.28 8 7.0 0.1
188 9 3 2 39.784 79.568 0.415 3.28 8 44.9 4.4
189 1 6 5 39.861 79.722 0.416 3.27 8 69.3 10.4
190 6 1 5 39.861 79.722 0.416 3.27 8 113.3 27.9
191 1 3 6 40.082 80.165 0.418 3.24 8 65.6 9.3
192 3 1 6 40.082 80.165 0.418 3.24 8 24.1 1.3
193 1 10 1 40.588 81.176 0.422 3.18 8 30.7 2.0
194 10 1 1 40.588 81.176 0.422 3.18 8 9.3 0.2
195 9 0 3 40.662 81.324 0.423 3.18 8 42.3 3.8
196 2 10 0 40.697 81.394 0.423 3.17 4 37.7 1.5
197 10 2 0 40.697 81.394 0.423 3.17 4 70.6 5.3
198 4 5 5 40.81 81.621 0.424 3.16 8 44.0 4.1
199 5 4 5 40.81 81.621 0.424 3.16 8 63.6 8.5
200 8 0 4 40.845 81.691 0.425 3.15 8 33.2 2.3
201 5 9 0 41.17 82.34 0.427 3.12 4 125.0 16.2
202 9 5 0 41.17 82.34 0.427 3.12 4 82.4 7.0
203 4 0 6 41.503 83.006 0.43 3.09 8 43.7 3.9
204 2 9 3 41.608 83.215 0.431 3.08 8 10.6 0.2
205 6 7 3 41.608 83.215 0.431 3.08 8 54.0 6.0
206 7 6 3 41.608 83.215 0.431 3.08 8 31.7 2.1
207 9 2 3 41.608 83.215 0.431 3.08 8 29.5 1.8
208 7 7 2 41.679 83.359 0.432 3.07 8 79.7 12.9
209 3 6 5 41.755 83.511 0.432 3.06 8 80.8 13.3
210 6 3 5 41.755 83.511 0.432 3.06 8 79.6 12.9
211 2 8 4 41.79 83.58 0.433 3.06 8 25.8 1.4
212 8 2 4 41.79 83.58 0.433 3.06 8 5.9 0.1
213 3 3 6 41.975 83.95 0.434 3.04 8 6.9 0.1
214 6 8 2 42.151 84.301 0.436 3.02 8 27.1 1.5
215 8 6 2 42.151 84.301 0.436 3.02 8 101.1 20.5
216 10 0 2 42.151 84.301 0.436 3.02 8 50.0 5.0
217 2 4 6 42.445 84.891 0.438 3.0 8 14.4 0.4
218 4 2 6 42.445 84.891 0.438 3.0 8 38.6 3.0
219 3 10 1 42.476 84.952 0.438 3.0 8 33.6 2.3
220 10 3 1 42.476 84.952 0.438 3.0 8 2.0 0.0
221 5 8 3 42.55 85.099 0.439 2.99 8 74.9 11.1
222 8 5 3 42.55 85.099 0.439 2.99 8 74.4 11.0
223 7 0 5 42.697 85.394 0.44 2.98 8 86.4 14.8
224 6 6 4 42.731 85.463 0.44 2.98 8 93.1 17.1
225 2 10 2 43.091 86.182 0.443 2.95 8 23.2 1.1
226 10 2 2 43.091 86.182 0.443 2.95 8 10.4 0.2
227 5 7 4 43.201 86.402 0.444 2.94 8 36.8 2.6
228 7 5 4 43.201 86.402 0.444 2.94 8 38.7 2.9
229 7 8 1 43.415 86.831 0.446 2.92 8 31.8 2.0
230 8 7 1 43.415 86.831 0.446 2.92 8 2.2 0.0
231 4 10 0 43.523 87.047 0.447 2.92 4 36.6 1.3
232 10 4 0 43.523 87.047 0.447 2.92 4 16.3 0.3
233 5 9 2 43.56 87.12 0.447 2.91 8 97.0 18.2
234 9 5 2 43.56 87.12 0.447 2.91 8 37.3 2.7
235 2 7 5 43.636 87.271 0.448 2.91 8 62.7 7.6
236 7 2 5 43.636 87.271 0.448 2.91 8 22.7 1.0
237 1 5 6 43.854 87.708 0.45 2.89 8 9.5 0.2
238 5 1 6 43.854 87.708 0.45 2.89 8 4.7 0.0
239 6 9 1 44.353 88.706 0.454 2.86 8 0.1 0.0
240 9 6 1 44.353 88.706 0.454 2.86 8 57.3 6.3
241 4 9 3 44.426 88.853 0.454 2.86 8 13.7 0.4
242 9 4 3 44.426 88.853 0.454 2.86 8 4.7 0.0
243 4 8 4 44.608 89.216 0.456 2.85 8 47.1 4.2
244 8 4 4 44.608 89.216 0.456 2.85 8 47.7 4.3
245 1 11 0 44.929 89.859 0.458 2.83 4 41.4 1.6
246 11 1 0 44.929 89.859 0.458 2.83 4 18.6 0.3
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 5.188 10.376 8.51852 155.1 15.6 15.7 5.6
2 1 0 1 6.909 13.817 6.40366 331.8 33.3 33.5 5.6
3 1 2 1 10.111 20.223 4.3875 32.2 3.2 3.2 5.6
4 2 2 0 10.419 20.838 4.25926 86.9 8.7 8.7 5.6
5 3 1 0 11.665 23.331 3.8096 756.7 75.9 76.0 5.6
6 0 0 2 11.758 23.515 3.7801 18.8 1.9 1.9 5.6
7 3 0 1 12.545 25.089 3.54643 438.2 43.9 44.0 5.6
8 1 1 2 12.881 25.763 3.45519 997.2 100.0 100.0 5.6
9 2 3 1 14.599 29.197 3.05608 498.3 50.0 49.8 5.6
10 4 0 0 14.819 29.637 3.01175 354.6 35.6 35.5 5.6
11 3 3 0 15.74 31.48 2.83951 38.6 3.9 3.8 5.6
12 2 2 2 15.81 31.62 2.82723 24.8 2.5 2.5 5.6
13 1 4 1 16.417 32.835 2.72537 165.1 16.6 16.5 5.6
14 2 4 0 16.615 33.231 2.69379 47.7 4.8 4.8 5.6
15 3 1 2 16.682 33.365 2.6833 271.8 27.3 27.1 5.7
16 1 0 3 18.196 36.393 2.46667 15.0 1.5 1.5 5.7
17 1 5 0 19.028 38.056 2.36261 26.6 2.7 2.6 5.7
18 4 0 2 19.087 38.175 2.35553 13.3 1.3 1.3 5.7
19 4 3 1 19.605 39.211 2.29564 84.7 8.5 8.4 5.7
20 1 2 3 19.721 39.442 2.28269 16.2 1.6 1.6 5.7
21 3 3 2 19.833 39.666 2.27033 24.9 2.5 2.5 5.7
22 4 2 2 20.556 41.112 2.19375 40.7 4.1 4.0 5.7
23 5 2 1 21.044 42.088 2.14513 19.2 1.9 1.9 5.7
24 3 0 3 21.153 42.306 2.13455 59.5 6.0 5.9 5.7
25 3 5 0 21.89 43.78 2.06604 24.2 2.4 2.4 5.7
26 3 2 3 22.51 45.021 2.01196 51.5 5.2 5.1 5.7
27 6 1 1 23.707 47.413 1.91587 56.8 5.7 5.6 5.7
28 1 4 3 23.806 47.612 1.90832 168.3 16.9 16.5 5.7
29 6 2 0 23.853 47.706 1.9048 135.4 13.6 13.3 5.7
30 0 0 4 24.051 48.101 1.89005 104.0 10.4 10.2 5.7
31 4 5 1 24.955 49.909 1.82574 20.4 2.0 2.0 5.7
32 3 5 2 25.143 50.286 1.81293 100.2 10.1 9.8 5.8
33 3 6 1 26.158 52.317 1.74724 37.8 3.8 3.7 5.8
34 5 0 3 26.251 52.502 1.74151 25.7 2.6 2.5 5.8
35 7 1 0 26.88 53.76 1.7037 79.5 8.0 7.7 5.8
36 2 5 3 27.414 54.828 1.67299 31.5 3.2 3.1 5.8
37 4 6 0 27.456 54.913 1.67062 12.4 1.2 1.2 5.8
38 2 7 1 28.458 56.915 1.61651 32.8 3.3 3.2 5.8
39 4 0 4 28.761 57.521 1.60092 33.3 3.3 3.2 5.8
40 7 3 0 29.14 58.281 1.58185 14.8 1.5 1.4 5.8
41 1 6 3 29.648 59.295 1.55718 63.6 6.4 6.1 5.8
42 7 1 2 29.73 59.461 1.55323 26.1 2.6 2.5 5.8
43 5 4 3 30.726 61.451 1.50761 36.0 3.6 3.5 5.8
44 4 7 1 31.7 63.4 1.46589 16.3 1.6 1.6 5.9
45 6 3 3 31.782 63.564 1.4625 12.3 1.2 1.2 5.9
46 2 8 0 31.82 63.641 1.46091 11.8 1.2 1.1 5.9
47 3 7 2 31.861 63.723 1.45923 72.9 7.3 7.0 5.9
48 1 2 5 31.946 63.891 1.45579 22.2 2.2 2.1 5.9
49 7 0 3 32.819 65.638 1.42121 37.1 3.7 3.6 5.9
50 6 6 0 32.857 65.714 1.41975 51.5 5.2 4.9 5.9
51 3 0 5 32.98 65.96 1.41505 65.4 6.6 6.3 5.9
52 7 5 0 33.369 66.738 1.40044 15.7 1.6 1.5 5.9
53 2 7 3 33.84 67.679 1.38323 22.4 2.3 2.1 5.9
54 2 3 5 33.998 67.996 1.37755 64.3 6.4 6.1 5.9
55 8 2 2 34.421 68.842 1.36269 127.0 12.7 12.1 5.9
56 4 8 0 34.882 69.765 1.3469 25.3 2.5 2.4 5.9
57 6 2 4 35.039 70.077 1.34165 35.3 3.5 3.4 5.9
58 1 9 0 35.38 70.76 1.33037 23.0 2.3 2.2 5.9
59 5 6 3 35.838 71.677 1.31559 38.0 3.8 3.6 5.9
60 5 7 2 35.913 71.827 1.31321 26.9 2.7 2.5 5.9
61 9 2 1 36.744 73.487 1.28759 27.9 2.8 2.6 6.0
62 8 1 3 36.82 73.64 1.28529 27.7 2.8 2.6 6.0
63 5 0 5 36.973 73.946 1.28073 38.6 3.9 3.6 6.0
64 1 7 4 37.495 74.99 1.26547 20.8 2.1 2.0 6.0
65 0 0 6 37.685 75.37 1.26003 14.0 1.4 1.3 6.0
66 1 9 2 37.865 75.731 1.25492 31.5 3.2 3.0 6.0
67 3 7 4 39.419 78.838 1.21306 10.1 1.0 0.9 6.0
68 6 1 5 39.861 79.722 1.20182 38.4 3.8 3.6 6.0
69 1 3 6 40.082 80.165 1.1963 10.5 1.1 1.0 6.0
70 5 4 5 40.81 81.621 1.17859 12.6 1.3 1.2 6.1
71 5 9 0 41.17 82.34 1.17011 23.2 2.3 2.2 6.1
72 7 7 2 41.679 83.359 1.15838 12.9 1.3 1.2 6.1
73 3 6 5 41.755 83.511 1.15666 26.2 2.6 2.4 6.1
74 10 0 2 42.151 84.301 1.14782 27.0 2.7 2.5 6.1
75 5 8 3 42.55 85.099 1.13908 22.1 2.2 2.0 6.1
76 7 0 5 42.697 85.394 1.13591 14.8 1.5 1.4 6.1
77 6 6 4 42.731 85.463 1.13516 17.1 1.7 1.6 6.1
78 5 9 2 43.56 87.12 1.11778 20.9 2.1 1.9 6.1
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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