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
10, f-feldspathoid, s-scapolite
(Na,Ca,K)(4)Al(3)Si(9)O(24)Cl
Tetragonal I 4/m Z = 2
R =0.0349 NR =952
12 .4 .1997
Ref.Str.:
Sokolova E.V., Kabalov Yu.K., Sherriff V.L., Teertstra D.K. (1996)
* Canad. Mineral., 34, 1039-1050
Reserv:
Rietveld refinement. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.0489 alpha = 90.0
b = 12.0489 beta = 90.0
c = 7.5665 gamma = 90.0
Unit cell volume (cub. angs.) = 1098.47
Molar volume ( cub.cm/mol.) = 330.83
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3725 0.3 0.5 4.4 Na = 0.87, K = 0.07, Ca = 0.07
2 0.3408 0.4114 0.0 1.8 Si = 1.00
3 0.6621 0.914 0.7936 1.2 Si = 0.73, Al = 0.27
4 0.457 0.354 0.0 2.5 O = 1.00
5 0.694 0.882 0.0 1.4 O = 1.00
6 0.3493 0.9501 0.784 2.4 O = 1.00
7 0.2704 0.3741 0.826 2.4 O = 1.00
8 0.5 0.5 0.5 7.2 Cl = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3725 0.3 0.5
2 2 0.3408 0.4114 0.0
3 3 0.6621 0.914 0.7936
4 4 0.457 0.354 0.0
5 5 0.694 0.882 0.0
6 6 0.3493 0.9501 0.784
7 7 0.2704 0.3741 0.826
8 8 0.5 0.5 0.5
9 1 0.7 0.3725 0.5
10 1 0.6275 0.7 0.5
11 1 0.3 0.6275 0.5
12 2 0.5886 0.3408 0.0
13 2 0.6592 0.5886 0.0
14 2 0.4114 0.6592 0.0
15 3 0.086 0.6621 0.7936
16 3 0.3379 0.086 0.7936
17 3 0.914 0.3379 0.7936
18 4 0.646 0.457 0.0
19 4 0.543 0.646 0.0
20 4 0.354 0.543 0.0
21 5 0.118 0.694 0.0
22 5 0.306 0.118 0.0
23 5 0.882 0.306 0.0
24 6 0.0499 0.3493 0.784
25 6 0.6507 0.0499 0.784
26 6 0.9501 0.6507 0.784
27 7 0.6259 0.2704 0.826
28 7 0.7296 0.6259 0.826
29 7 0.3741 0.7296 0.826
30 1 0.1275 0.2 0.0
31 2 0.1592 0.0886 0.5
32 3 0.8379 0.586 0.2936
33 4 0.043 0.146 0.5
34 5 0.806 0.618 0.5
35 6 0.1507 0.5499 0.284
36 7 0.2296 0.1259 0.326
37 8 0.0 0.0 0.0
38 1 0.8 0.1275 0.0
39 1 0.8725 0.8 0.0
40 1 0.2 0.8725 0.0
41 2 0.9114 0.1592 0.5
42 2 0.8408 0.9114 0.5
43 2 0.0886 0.8408 0.5
44 3 0.414 0.8379 0.2936
45 3 0.1621 0.414 0.2936
46 3 0.586 0.1621 0.2936
47 4 0.854 0.043 0.5
48 4 0.957 0.854 0.5
49 4 0.146 0.957 0.5
50 5 0.382 0.806 0.5
51 5 0.194 0.382 0.5
52 5 0.618 0.194 0.5
53 6 0.4501 0.1507 0.284
54 6 0.8493 0.4501 0.284
55 6 0.5499 0.8493 0.284
56 7 0.8741 0.2296 0.326
57 7 0.7704 0.8741 0.326
58 7 0.1259 0.7704 0.326
59 3 0.6621 0.914 0.2064
60 6 0.3493 0.9501 0.216
61 7 0.2704 0.3741 0.174
62 3 0.086 0.6621 0.2064
63 3 0.3379 0.086 0.2064
64 3 0.914 0.3379 0.2064
65 6 0.0499 0.3493 0.216
66 6 0.6507 0.0499 0.216
67 6 0.9501 0.6507 0.216
68 7 0.6259 0.2704 0.174
69 7 0.7296 0.6259 0.174
70 7 0.3741 0.7296 0.174
71 3 0.8379 0.586 0.7064
72 6 0.1507 0.5499 0.716
73 7 0.2296 0.1259 0.674
74 3 0.414 0.8379 0.7064
75 3 0.1621 0.414 0.7064
76 3 0.586 0.1621 0.7064
77 6 0.4501 0.1507 0.716
78 6 0.8493 0.4501 0.716
79 6 0.5499 0.8493 0.716
80 7 0.8741 0.2296 0.674
81 7 0.7704 0.8741 0.674
82 7 0.1259 0.7704 0.674
X-ray density (g/cm cub.) = 2.59
MU (1/cm) = 101.404 Mass attenuation coefficient (cm**2/g) = 39.175
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Na ,K ,Ca 3.768 9
2.8974 7
2.8578 8
3.0163 7
2.3668 5
3.222 5
2.6041 6
2.8974 7
3.0163 7
2.6041 6
2 Si 2.64 4
1.5616 4
1.6294 7
1.5936 4
1.6294 7
3 Si ,Al 2.856 4
1.6539 5
1.6448 6
1.6674 6
1.6592 7
4 O 3.804 10
2.6167 7
2.5935 4
3.6677 4
2.5935 4
3.3758 5
2.6248 7
3.2596 6
2.6167 7
2.6248 7
3.2596 6
5 O 3.804 9
3.3758 4
2.6525 6
3.3822 7
2.7906 6
2.6346 7
2.6525 6
3.3822 7
2.7906 6
2.6346 7
6 O 3.804 9
2.6525 5
2.6924 7
3.2596 4
2.7906 5
3.2687 6
2.6944 7
2.7535 6
2.7535 6
3.5533 7
7 O 3.804 9
2.6167 4
2.6248 4
3.3822 5
2.6924 6
2.6346 5
2.6331 7
2.6944 6
3.2416 7
3.5533 6
8 Cl 4.344 20
4.2043 4
4.2043 4
4.0048 7
4.2043 4
4.2043 4
4.2043 4
4.2043 4
4.2043 4
4.2043 4
4.0048 7
4.0048 7
4.0048 7
3.9516 5
3.9516 5
3.9516 5
3.9516 5
4.0048 7
4.0048 7
4.0048 7
4.0048 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 5.187 10.374 0.059 241.7 4 30.0 72.0
2 1 0 1 6.904 13.808 0.078 135.44 8 39.6 140.8
3 2 0 0 7.346 14.692 0.083 119.39 4 34.3 46.6
4 1 2 1 10.107 20.215 0.114 62.02 8 30.7 38.7
5 2 1 1 10.107 20.215 0.114 62.02 8 13.2 7.2
6 2 2 0 10.418 20.835 0.117 58.26 4 69.3 92.7
7 1 3 0 11.663 23.327 0.131 46.05 4 67.2 69.0
8 3 1 0 11.663 23.327 0.131 46.05 4 175.6 470.7
9 0 0 2 11.748 23.495 0.132 45.36 2 8.3 0.5
10 3 0 1 12.541 25.081 0.141 39.55 8 90.4 214.4
11 1 1 2 12.872 25.744 0.145 37.44 8 207.6 1069.4
12 2 0 2 13.911 27.823 0.156 31.76 8 4.5 0.4
13 2 3 1 14.595 29.189 0.164 28.68 8 189.3 681.5
14 3 2 1 14.595 29.189 0.164 28.68 8 6.9 0.9
15 4 0 0 14.816 29.632 0.166 27.77 4 204.5 384.9
16 3 3 0 15.737 31.475 0.176 24.4 4 83.5 56.4
17 2 2 2 15.801 31.603 0.177 24.18 8 44.0 31.0
18 1 4 1 16.413 32.827 0.183 22.28 8 111.5 183.7
19 4 1 1 16.413 32.827 0.183 22.28 8 10.5 1.6
20 2 4 0 16.613 33.225 0.186 21.7 4 112.0 90.2
21 4 2 0 16.613 33.225 0.186 21.7 4 11.0 0.9
22 1 3 2 16.674 33.347 0.186 21.53 8 46.5 30.9
23 3 1 2 16.674 33.347 0.186 21.53 8 159.3 362.3
24 1 0 3 18.181 36.362 0.203 17.82 8 18.3 4.0
25 1 5 0 19.025 38.05 0.212 16.13 4 49.1 12.9
26 5 1 0 19.025 38.05 0.212 16.13 4 26.6 3.8
27 4 0 2 19.079 38.158 0.212 16.03 8 18.5 3.6
28 3 4 1 19.601 39.202 0.218 15.1 8 77.3 59.8
29 4 3 1 19.601 39.202 0.218 15.1 8 69.9 49.0
30 5 0 1 19.601 39.202 0.218 15.1 8 11.6 1.3
31 1 2 3 19.707 39.413 0.219 14.92 8 22.0 4.8
32 2 1 3 19.707 39.413 0.219 14.92 8 1.9 0.0
33 3 3 2 19.825 39.65 0.22 14.72 8 31.2 9.5
34 2 4 2 20.548 41.096 0.228 13.59 8 27.8 7.0
35 4 2 2 20.548 41.096 0.228 13.59 8 58.0 30.4
36 2 5 1 21.039 42.078 0.233 12.89 8 17.3 2.5
37 5 2 1 21.039 42.078 0.233 12.89 8 54.4 25.3
38 3 0 3 21.139 42.278 0.234 12.76 8 101.4 87.0
39 4 4 0 21.201 42.402 0.235 12.67 4 29.5 3.7
40 3 5 0 21.887 43.773 0.242 11.8 4 76.5 22.9
41 5 3 0 21.887 43.773 0.242 11.8 4 6.5 0.2
42 2 3 3 22.496 44.993 0.248 11.09 8 34.8 8.9
43 3 2 3 22.496 44.993 0.248 11.09 8 79.0 45.9
44 6 0 0 22.555 45.111 0.249 11.03 4 33.4 4.1
45 1 5 2 22.603 45.205 0.249 10.97 8 36.0 9.4
46 5 1 2 22.603 45.205 0.249 10.97 8 28.4 5.9
47 1 6 1 23.702 47.403 0.261 9.86 8 20.0 2.6
48 6 1 1 23.702 47.403 0.261 9.86 8 111.6 81.4
49 1 4 3 23.792 47.585 0.262 9.77 8 136.1 120.0
50 4 1 3 23.792 47.585 0.262 9.77 8 61.4 24.5
51 2 6 0 23.849 47.698 0.262 9.72 4 84.4 22.9
52 6 2 0 23.849 47.698 0.262 9.72 4 183.5 108.5
53 0 0 4 24.029 48.059 0.264 9.55 2 269.5 115.0
54 4 4 2 24.52 49.041 0.269 9.12 8 13.2 1.1
55 1 1 4 24.653 49.306 0.271 9.01 8 10.1 0.6
56 4 5 1 24.949 49.899 0.274 8.77 8 47.4 13.1
57 5 4 1 24.949 49.899 0.274 8.77 8 13.5 1.1
58 3 5 2 25.135 50.27 0.276 8.62 8 92.4 48.9
59 5 3 2 25.135 50.27 0.276 8.62 8 65.7 24.7
60 2 0 4 25.265 50.53 0.277 8.52 8 11.0 0.7
61 6 0 2 25.738 51.477 0.282 8.17 8 32.0 5.5
62 3 6 1 26.153 52.306 0.286 7.88 8 76.8 30.8
63 6 3 1 26.153 52.306 0.286 7.88 8 44.0 10.1
64 3 4 3 26.237 52.475 0.287 7.82 8 28.2 4.1
65 4 3 3 26.237 52.475 0.287 7.82 8 19.1 1.9
66 5 0 3 26.237 52.475 0.287 7.82 8 64.7 21.7
67 2 2 4 26.458 52.917 0.289 7.67 8 28.5 4.1
68 1 7 0 26.875 53.751 0.293 7.4 4 100.8 25.0
69 5 5 0 26.875 53.751 0.293 7.4 4 9.7 0.2
70 7 1 0 26.875 53.751 0.293 7.4 4 122.2 36.7
71 2 6 2 26.917 53.834 0.294 7.38 8 47.2 10.9
72 6 2 2 26.917 53.834 0.294 7.38 8 6.0 0.2
73 1 3 4 27.041 54.082 0.295 7.3 8 2.5 0.0
74 3 1 4 27.041 54.082 0.295 7.3 8 21.1 2.1
75 7 0 1 27.319 54.637 0.298 7.13 8 15.9 1.2
76 2 5 3 27.401 54.801 0.299 7.09 8 72.9 24.9
77 5 2 3 27.401 54.801 0.299 7.09 8 25.2 3.0
78 4 6 0 27.452 54.904 0.299 7.06 4 63.8 9.5
79 6 4 0 27.452 54.904 0.299 7.06 4 14.7 0.5
80 2 7 1 28.452 56.903 0.309 6.51 8 89.5 34.5
81 7 2 1 28.452 56.903 0.309 6.51 8 28.9 3.6
82 4 0 4 28.74 57.481 0.312 6.36 8 93.6 37.0
83 3 7 0 29.135 58.27 0.316 6.17 4 19.3 0.8
84 7 3 0 29.135 58.27 0.316 6.17 4 71.5 10.4
85 3 3 4 29.292 58.585 0.318 6.09 8 19.0 1.5
86 1 6 3 29.634 59.268 0.321 5.93 8 98.3 38.0
87 6 1 3 29.634 59.268 0.321 5.93 8 60.2 14.3
88 1 7 2 29.722 59.443 0.322 5.9 8 22.4 2.0
89 5 5 2 29.722 59.443 0.322 5.9 8 30.0 3.5
90 7 1 2 29.722 59.443 0.322 5.9 8 75.0 22.0
91 2 4 4 29.838 59.676 0.323 5.84 8 31.6 3.9
92 4 2 4 29.838 59.676 0.323 5.84 8 26.0 2.6
93 4 6 2 30.262 60.525 0.327 5.66 8 5.1 0.1
94 6 4 2 30.262 60.525 0.327 5.66 8 36.3 4.9
95 5 6 1 30.636 61.271 0.331 5.51 8 37.6 5.2
96 6 5 1 30.636 61.271 0.331 5.51 8 3.9 0.1
97 4 5 3 30.712 61.424 0.332 5.48 8 24.9 2.3
98 5 4 3 30.712 61.424 0.332 5.48 8 113.3 46.6
99 8 0 0 30.76 61.519 0.332 5.46 4 14.8 0.4
100 1 0 5 30.864 61.728 0.333 5.42 8 10.8 0.4
101 1 5 4 31.44 62.881 0.339 5.2 8 26.2 2.4
102 5 1 4 31.44 62.881 0.339 5.2 8 37.6 4.9
103 1 8 1 31.693 63.387 0.341 5.11 8 14.9 0.7
104 4 7 1 31.693 63.387 0.341 5.11 8 60.1 12.2
105 7 4 1 31.693 63.387 0.341 5.11 8 40.4 5.5
106 8 1 1 31.693 63.387 0.341 5.11 8 3.1 0.0
107 3 6 3 31.768 63.536 0.342 5.09 8 15.0 0.8
108 6 3 3 31.768 63.536 0.342 5.09 8 50.9 8.7
109 2 8 0 31.815 63.63 0.342 5.07 4 65.4 7.2
110 8 2 0 31.815 63.63 0.342 5.07 4 32.0 1.7
111 3 7 2 31.852 63.704 0.343 5.06 8 90.1 27.2
112 7 3 2 31.852 63.704 0.343 5.06 8 88.8 26.5
113 1 2 5 31.918 63.835 0.343 5.03 8 88.4 26.1
114 2 1 5 31.918 63.835 0.343 5.03 8 6.8 0.2
115 7 0 3 32.805 65.611 0.352 4.74 8 88.3 24.5
116 6 6 0 32.851 65.702 0.352 4.73 4 160.6 40.4
117 3 0 5 32.952 65.905 0.353 4.7 8 109.4 37.3
118 4 4 4 32.998 65.996 0.354 4.69 8 27.2 2.3
119 5 7 0 33.363 66.726 0.357 4.58 4 27.0 1.1
120 7 5 0 33.363 66.726 0.357 4.58 4 101.1 15.5
121 8 0 2 33.399 66.799 0.357 4.57 8 21.7 1.4
122 3 5 4 33.509 67.017 0.358 4.54 8 18.5 1.0
123 5 3 4 33.509 67.017 0.358 4.54 8 21.3 1.4
124 3 8 1 33.753 67.507 0.361 4.47 8 18.4 1.0
125 8 3 1 33.753 67.507 0.361 4.47 8 26.0 2.0
126 2 7 3 33.826 67.652 0.361 4.45 8 92.6 25.3
127 7 2 3 33.826 67.652 0.361 4.45 8 13.6 0.5
128 2 3 5 33.97 67.941 0.363 4.41 8 146.2 62.4
129 3 2 5 33.97 67.941 0.363 4.41 8 10.1 0.3
130 6 0 4 34.015 68.031 0.363 4.39 8 33.0 3.2
131 2 8 2 34.411 68.822 0.367 4.29 8 135.4 52.2
132 8 2 2 34.411 68.822 0.367 4.29 8 148.0 62.3
133 4 8 0 34.876 69.752 0.371 4.17 4 102.8 14.6
134 8 4 0 34.876 69.752 0.371 4.17 4 73.8 7.5
135 1 4 5 34.974 69.948 0.372 4.15 8 35.2 3.4
136 4 1 5 34.974 69.948 0.372 4.15 8 28.0 2.2
137 2 6 4 35.019 70.037 0.372 4.14 8 17.5 0.8
138 6 2 4 35.019 70.037 0.372 4.14 8 112.5 34.8
139 1 9 0 35.374 70.747 0.376 4.06 4 137.7 25.5
140 9 1 0 35.374 70.747 0.376 4.06 4 18.2 0.4
141 6 6 2 35.409 70.818 0.376 4.05 8 53.4 7.6
142 9 0 1 35.754 71.507 0.379 3.97 8 54.7 7.9
143 5 6 3 35.824 71.649 0.38 3.96 8 103.1 27.9
144 6 5 3 35.824 71.649 0.38 3.96 8 12.6 0.4
145 5 7 2 35.903 71.807 0.381 3.94 8 55.5 8.1
146 7 5 2 35.903 71.807 0.381 3.94 8 53.7 7.5
147 2 9 1 36.736 73.472 0.388 3.77 8 13.3 0.4
148 6 7 1 36.736 73.472 0.388 3.77 8 37.2 3.5
149 7 6 1 36.736 73.472 0.388 3.77 8 55.6 7.7
150 9 2 1 36.736 73.472 0.388 3.77 8 51.3 6.6
151 1 8 3 36.806 73.611 0.389 3.76 8 52.5 6.9
152 4 7 3 36.806 73.611 0.389 3.76 8 24.2 1.5
153 7 4 3 36.806 73.611 0.389 3.76 8 23.1 1.3
154 8 1 3 36.806 73.611 0.389 3.76 8 51.7 6.7
155 3 4 5 36.945 73.89 0.39 3.73 8 40.3 4.0
156 4 3 5 36.945 73.89 0.39 3.73 8 96.2 22.9
157 5 0 5 36.945 73.89 0.39 3.73 8 55.2 7.5
158 3 9 0 37.336 74.672 0.394 3.66 4 12.5 0.2
159 9 3 0 37.336 74.672 0.394 3.66 4 45.4 2.5
160 4 8 2 37.371 74.741 0.394 3.65 8 13.4 0.4
161 8 4 2 37.371 74.741 0.394 3.65 8 36.4 3.2
162 1 7 4 37.475 74.95 0.395 3.63 8 62.2 9.3
163 5 5 4 37.475 74.95 0.395 3.63 8 12.7 0.4
164 7 1 4 37.475 74.95 0.395 3.63 8 43.0 4.4
165 0 0 6 37.648 75.296 0.396 3.6 2 142.6 12.1
166 5 8 1 37.708 75.417 0.397 3.59 8 23.1 1.3
167 8 5 1 37.708 75.417 0.397 3.59 8 24.9 1.5
168 1 9 2 37.855 75.71 0.398 3.57 8 72.1 12.3
169 9 1 2 37.855 75.71 0.398 3.57 8 65.8 10.2
170 2 5 5 37.916 75.831 0.399 3.56 8 23.7 1.3
171 5 2 5 37.916 75.831 0.399 3.56 8 43.9 4.5
172 4 6 4 37.959 75.917 0.399 3.55 8 24.4 1.4
173 6 4 4 37.959 75.917 0.399 3.55 8 18.0 0.8
174 1 1 6 38.131 76.262 0.401 3.52 8 40.8 3.9
175 2 0 6 38.612 77.225 0.405 3.45 8 23.5 1.3
176 3 8 3 38.741 77.481 0.406 3.43 8 5.0 0.1
177 8 3 3 38.741 77.481 0.406 3.43 8 14.9 0.5
178 7 7 0 39.262 78.524 0.411 3.35 4 16.5 0.3
179 3 7 4 39.399 78.797 0.412 3.33 8 38.9 3.3
180 7 3 4 39.399 78.797 0.412 3.33 8 45.3 4.5
181 2 2 6 39.569 79.139 0.413 3.31 8 5.9 0.1
182 4 9 1 39.629 79.257 0.414 3.3 8 2.0 0.0
183 9 4 1 39.629 79.257 0.414 3.3 8 20.5 0.9
184 6 8 0 39.739 79.479 0.415 3.29 4 5.5 0.0
185 8 6 0 39.739 79.479 0.415 3.29 4 29.9 1.0
186 10 0 0 39.739 79.479 0.415 3.29 4 29.6 1.0
187 3 9 2 39.773 79.547 0.415 3.28 8 5.0 0.1
188 9 3 2 39.773 79.547 0.415 3.28 8 24.6 1.3
189 1 6 5 39.833 79.666 0.416 3.28 8 58.7 7.5
190 6 1 5 39.833 79.666 0.416 3.28 8 104.6 23.8
191 1 3 6 40.045 80.091 0.418 3.25 8 59.4 7.6
192 3 1 6 40.045 80.091 0.418 3.25 8 12.1 0.3
193 1 10 1 40.579 81.158 0.422 3.19 8 34.2 2.5
194 10 1 1 40.579 81.158 0.422 3.19 8 10.3 0.2
195 9 0 3 40.647 81.294 0.423 3.18 8 33.3 2.3
196 2 10 0 40.689 81.378 0.423 3.17 4 25.0 0.7
197 10 2 0 40.689 81.378 0.423 3.17 4 76.0 6.1
198 4 5 5 40.782 81.565 0.424 3.16 8 31.1 2.0
199 5 4 5 40.782 81.565 0.424 3.16 8 43.3 3.9
200 8 0 4 40.825 81.649 0.424 3.16 8 29.2 1.8
201 5 9 0 41.162 82.325 0.427 3.12 4 120.6 15.0
202 9 5 0 41.162 82.325 0.427 3.12 4 70.1 5.1
203 4 0 6 41.466 82.932 0.43 3.09 8 42.3 3.7
204 2 9 3 41.592 83.185 0.431 3.08 8 11.2 0.3
205 6 7 3 41.592 83.185 0.431 3.08 8 48.8 4.9
206 7 6 3 41.592 83.185 0.431 3.08 8 23.6 1.1
207 9 2 3 41.592 83.185 0.431 3.08 8 37.2 2.8
208 7 7 2 41.668 83.336 0.432 3.07 8 76.1 11.8
209 3 6 5 41.727 83.454 0.432 3.06 8 75.1 11.5
210 6 3 5 41.727 83.454 0.432 3.06 8 71.8 10.5
211 2 8 4 41.769 83.538 0.432 3.06 8 20.2 0.8
212 8 2 4 41.769 83.538 0.432 3.06 8 12.0 0.3
213 3 3 6 41.938 83.875 0.434 3.04 8 4.9 0.0
214 6 8 2 42.139 84.278 0.436 3.03 8 35.4 2.5
215 8 6 2 42.139 84.278 0.436 3.03 8 88.1 15.6
216 10 0 2 42.139 84.278 0.436 3.03 8 41.4 3.4
217 2 4 6 42.408 84.816 0.438 3.0 8 28.6 1.6
218 4 2 6 42.408 84.816 0.438 3.0 8 26.7 1.4
219 3 10 1 42.467 84.934 0.438 3.0 8 19.0 0.7
220 10 3 1 42.467 84.934 0.438 3.0 8 2.2 0.0
221 5 8 3 42.534 85.068 0.439 2.99 8 68.2 9.2
222 8 5 3 42.534 85.068 0.439 2.99 8 56.9 6.4
223 7 0 5 42.668 85.337 0.44 2.98 8 73.3 10.6
224 6 6 4 42.71 85.42 0.44 2.98 8 79.5 12.5
225 2 10 2 43.079 86.158 0.443 2.95 8 29.7 1.7
226 10 2 2 43.079 86.158 0.443 2.95 8 0.9 0.0
227 5 7 4 43.18 86.36 0.444 2.94 8 30.0 1.8
228 7 5 4 43.18 86.36 0.444 2.94 8 41.1 3.3
229 7 8 1 43.406 86.812 0.446 2.92 8 24.2 1.1
230 8 7 1 43.406 86.812 0.446 2.92 8 8.7 0.1
231 4 10 0 43.515 87.03 0.447 2.92 4 20.9 0.4
232 10 4 0 43.515 87.03 0.447 2.92 4 20.3 0.4
233 5 9 2 43.548 87.097 0.447 2.91 8 77.3 11.5
234 9 5 2 43.548 87.097 0.447 2.91 8 31.2 1.9
235 2 7 5 43.607 87.214 0.448 2.91 8 59.4 6.8
236 7 2 5 43.607 87.214 0.448 2.91 8 17.3 0.6
237 1 5 6 43.816 87.633 0.449 2.9 8 1.7 0.0
238 5 1 6 43.816 87.633 0.449 2.9 8 7.5 0.1
239 6 9 1 44.343 88.687 0.454 2.86 8 10.3 0.2
240 9 6 1 44.343 88.687 0.454 2.86 8 48.9 4.5
241 4 9 3 44.41 88.821 0.454 2.86 8 17.8 0.6
242 9 4 3 44.41 88.821 0.454 2.86 8 20.8 0.8
243 4 8 4 44.586 89.172 0.456 2.85 8 48.4 4.4
244 8 4 4 44.586 89.172 0.456 2.85 8 38.9 2.9
245 1 11 0 44.92 89.841 0.458 2.83 4 51.4 2.5
246 11 1 0 44.92 89.841 0.458 2.83 4 6.1 0.0
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 5.187 10.374 8.51986 72.0 6.7 6.8 5.6
2 1 0 1 6.904 13.808 6.40777 140.8 13.2 13.3 5.6
3 2 0 0 7.346 14.692 6.02445 46.6 4.4 4.4 5.6
4 1 2 1 10.107 20.215 4.38919 45.9 4.3 4.3 5.6
5 2 2 0 10.418 20.835 4.25993 92.7 8.7 8.7 5.6
6 3 1 0 11.663 23.327 3.8102 539.8 50.5 50.6 5.6
7 3 0 1 12.541 25.081 3.54752 214.4 20.0 20.1 5.6
8 1 1 2 12.872 25.744 3.45768 1069.4 100.0 100.0 5.6
9 2 3 1 14.595 29.189 3.0569 682.5 63.8 63.6 5.6
10 4 0 0 14.816 29.632 3.01222 384.9 36.0 35.9 5.6
11 3 3 0 15.737 31.475 2.83995 56.4 5.3 5.3 5.6
12 2 2 2 15.801 31.603 2.82874 31.0 2.9 2.9 5.6
13 1 4 1 16.413 32.827 2.72604 185.3 17.3 17.2 5.6
14 2 4 0 16.613 33.225 2.69422 91.1 8.5 8.5 5.6
15 3 1 2 16.674 33.347 2.68464 393.2 36.8 36.5 5.7
16 1 5 0 19.025 38.05 2.36298 16.7 1.6 1.5 5.7
17 3 4 1 19.601 39.202 2.29614 110.1 10.3 10.2 5.7
18 4 2 2 20.548 41.096 2.1946 37.3 3.5 3.4 5.7
19 5 2 1 21.039 42.078 2.14559 27.9 2.6 2.6 5.7
20 3 0 3 21.139 42.278 2.13593 87.0 8.1 8.0 5.7
21 3 5 0 21.887 43.773 2.06637 23.0 2.2 2.1 5.7
22 3 2 3 22.496 44.993 2.01314 54.8 5.1 5.0 5.7
23 1 5 2 22.603 45.205 2.00417 15.3 1.4 1.4 5.7
24 6 1 1 23.702 47.403 1.91625 84.1 7.9 7.7 5.7
25 1 4 3 23.792 47.585 1.90936 144.4 13.5 13.2 5.7
26 6 2 0 23.849 47.698 1.9051 131.4 12.3 12.0 5.7
27 0 0 4 24.029 48.059 1.89163 115.0 10.8 10.5 5.7
28 4 5 1 24.949 49.899 1.8261 14.2 1.3 1.3 5.7
29 3 5 2 25.135 50.27 1.8135 73.6 6.9 6.7 5.8
30 3 6 1 26.153 52.306 1.74758 40.9 3.8 3.7 5.8
31 5 0 3 26.237 52.475 1.74235 27.7 2.6 2.5 5.8
32 7 1 0 26.875 53.751 1.70397 61.8 5.8 5.6 5.8
33 2 6 2 26.917 53.834 1.70154 11.1 1.0 1.0 5.8
34 2 5 3 27.401 54.801 1.67375 27.9 2.6 2.5 5.8
35 2 7 1 28.452 56.903 1.61682 38.1 3.6 3.5 5.8
36 4 0 4 28.74 57.481 1.60194 37.0 3.5 3.3 5.8
37 1 6 3 29.634 59.268 1.55782 52.3 4.9 4.7 5.8
38 7 1 2 29.722 59.443 1.55366 27.5 2.6 2.5 5.8
39 5 4 3 30.712 61.424 1.50822 48.9 4.6 4.4 5.8
40 4 7 1 31.693 63.387 1.46616 17.8 1.7 1.6 5.9
41 3 7 2 31.852 63.704 1.45961 53.7 5.0 4.8 5.9
42 1 2 5 31.918 63.835 1.45693 26.3 2.5 2.4 5.9
43 7 0 3 32.805 65.611 1.42174 24.5 2.3 2.2 5.9
44 6 6 0 32.851 65.702 1.41998 40.4 3.8 3.6 5.9
45 3 0 5 32.952 65.905 1.41611 37.3 3.5 3.3 5.9
46 7 5 0 33.363 66.726 1.40066 16.6 1.6 1.5 5.9
47 2 7 3 33.826 67.652 1.38373 25.8 2.4 2.3 5.9
48 2 3 5 33.97 67.941 1.37854 62.7 5.9 5.6 5.9
49 8 2 2 34.411 68.822 1.36302 114.5 10.7 10.2 5.9
50 4 8 0 34.876 69.752 1.34711 22.2 2.1 2.0 5.9
51 6 2 4 35.019 70.037 1.34232 34.8 3.3 3.1 5.9
52 1 9 0 35.374 70.747 1.33058 26.0 2.4 2.3 5.9
53 5 6 3 35.824 71.649 1.31604 28.3 2.6 2.5 5.9
54 5 7 2 35.903 71.807 1.31353 15.6 1.5 1.4 5.9
55 9 2 1 36.736 73.472 1.28782 17.8 1.7 1.6 6.0
56 1 8 3 36.806 73.611 1.28572 16.3 1.5 1.4 6.0
57 5 0 5 36.945 73.89 1.28155 34.4 3.2 3.0 6.0
58 1 7 4 37.475 74.95 1.26605 14.2 1.3 1.2 6.0
59 0 0 6 37.648 75.296 1.26108 12.1 1.1 1.1 6.0
60 1 9 2 37.855 75.71 1.25521 22.5 2.1 2.0 6.0
61 6 1 5 39.833 79.666 1.20253 31.3 2.9 2.7 6.0
62 5 9 0 41.162 82.325 1.17029 20.1 1.9 1.7 6.1
63 7 7 2 41.668 83.336 1.15864 11.8 1.1 1.0 6.1
64 3 6 5 41.727 83.454 1.1573 21.9 2.1 1.9 6.1
65 10 0 2 42.139 84.278 1.14807 21.5 2.0 1.8 6.1
66 5 8 3 42.534 85.068 1.13942 15.6 1.5 1.3 6.1
67 6 6 4 42.71 85.42 1.13562 12.5 1.2 1.1 6.1
68 5 9 2 43.548 87.097 1.11802 13.4 1.3 1.1 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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