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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HEFLIKITE
1
Ca(2)[Al(2)Sc][Si(2)O(7)][SiO(4)]O(OH)
Monoclinic P 2(1)/m Z = 2
R =0.0862 NR =958
30 .7 .25
Ref.Str.:
Pieczka A., Kristiansen R., Stachowicz M., Dumanska-Slowik M.,
Golebiowska B., Sek M.P., Nejbert K., Kotowski J., Marciniak-Maliszewska B.,
Szuszkiewicz A., Szeleg E. and Wozniak K. (2024)
* Mineral. Mag., 88, 228-243. https://doi.org/10.1180/mgm.2023.98
L: $Ca1.729 Ce0.125 La0.048 Nd0.046 Gd0.016 Sm0.012 Pr0.010 Y0.005
Eu2+0.003 Al2.182 Sc0.449 Fe3+0.070 V3+0.005 Fe2+0.251 Mg0.020 Mn0.010
Ti0.014 Si3.006 O13 H1$
R: Locality - Jordanow Slaski near Sobotka, Lower Silesia, SW Poland.
IMA2022-139. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.9383 alpha = 90.0
b = 5.683 beta = 115.04
c = 10.1903 gamma = 90.0
Unit cell volume (cub. angs.) = 468.97
Molar volume ( cub.cm/mol.) = 141.24
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7599 0.75 0.1521 0.0 Ca = 1.00
2 0.5989 0.75 0.4256 0.0 Ca = 0.7 , Ce = 0.3
3 0.0 0.0 0.0 0.0 Al = 1.00
4 0.0 0.0 0.5 0.0 Al = 1.00
5 0.2982 0.25 0.2183 0.0 Sc = 0.83, Al = 0.17
6 0.3384 0.75 0.0426 0.0 Si = 1.00
7 0.6872 0.25 0.2759 0.0 Si = 1.00
8 0.1859 0.75 0.3204 0.0 Si = 1.00
9 0.2348 0.9912 0.0357 0.0 O = 1.00
10 0.3059 0.9789 0.3581 0.0 O = 1.00
11 0.7973 0.0144 0.3389 0.0 O = 1.00
12 0.0505 0.25 0.1288 0.0 O = 1.00
13 0.045 0.75 0.1478 0.0 O = 1.00
14 0.0684 0.75 0.409 0.0 O = 1.00
15 0.5117 0.75 0.18 0.0 O = 1.00
16 0.5338 0.25 0.3195 0.0 O = 1.00
17 0.625 0.25 0.1018 0.0 O = 1.00
18 0.0853 0.25 0.4312 0.0 O = 1.00
19 0.084 0.25 0.335 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7599 0.75 0.1521
2 2 0.5989 0.75 0.4256
3 3 0.0 0.0 0.0
4 4 0.0 0.0 0.5
5 5 0.2982 0.25 0.2183
6 6 0.3384 0.75 0.0426
7 7 0.6872 0.25 0.2759
8 8 0.1859 0.75 0.3204
9 9 0.2348 0.9912 0.0357
10 10 0.3059 0.9789 0.3581
11 11 0.7973 0.0144 0.3389
12 12 0.0505 0.25 0.1288
13 13 0.045 0.75 0.1478
14 14 0.0684 0.75 0.409
15 15 0.5117 0.75 0.18
16 16 0.5338 0.25 0.3195
17 17 0.625 0.25 0.1018
18 18 0.0853 0.25 0.4312
19 19 0.084 0.25 0.335
20 1 0.2401 0.25 0.8479
21 2 0.4011 0.25 0.5744
22 3 0.0 0.5 0.0
23 4 0.0 0.5 0.5
24 5 0.7018 0.75 0.7817
25 6 0.6616 0.25 0.9574
26 7 0.3128 0.75 0.7241
27 8 0.8141 0.25 0.6796
28 9 0.7652 0.4912 0.9643
29 10 0.6941 0.4789 0.6419
30 11 0.2027 0.5144 0.6611
31 12 0.9495 0.75 0.8712
32 13 0.955 0.25 0.8522
33 14 0.9316 0.25 0.591
34 15 0.4883 0.25 0.82
35 16 0.4662 0.75 0.6805
36 17 0.375 0.75 0.8982
37 18 0.9147 0.75 0.5688
38 19 0.916 0.75 0.665
39 9 0.2348 0.5088 0.0357
40 10 0.3059 0.5211 0.3581
41 11 0.7973 0.4856 0.3389
42 9 0.7652 0.0088 0.9643
43 10 0.6941 0.0211 0.6419
44 11 0.2027 0.9856 0.6611
X-ray density (g/cm cub.) = 3.54
MU (1/cm) = 305.383 Mass attenuation coefficient (cm**2/g) = 86.355
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 6
2.3354 11
2.5672 13
2.353 15
2.4299 9
2.3354 11
2.4299 9
2 Ca ,Ce 2.88 8
2.7384 10
2.7404 11
2.2848 15
2.5235 10
2.571 18
2.7384 10
2.7404 11
2.5235 10
3 Al 2.316 6
1.9731 9
1.8556 12
1.9839 13
1.8556 12
1.9839 13
1.9731 9
4 Al 2.316 6
1.8618 11
1.9319 14
1.8825 18
1.9319 14
1.8825 18
1.8618 11
5 Sc ,Al 2.628 6
2.2481 9
2.0796 10
2.006 12
1.913 16
2.2481 9
2.0796 10
6 Si 2.1 4
1.639 9
1.5886 15
1.637 17
1.639 9
7 Si 2.1 4
1.6243 11
1.6103 16
1.6191 17
1.6243 11
8 Si 2.1 4
1.6252 10
1.6746 13
1.6495 14
1.6252 10
9 O 3.264 9
3.0716 10
2.6646 12
2.7754 13
2.6619 15
2.7519 12
2.8205 13
2.6266 17
2.9415 9
2.7415 9
10 O 3.264 9
3.0716 9
2.9204 12
2.7372 13
2.7203 14
2.7122 16
2.839 18
3.2486 16
3.0813 10
2.6017 10
11 O 3.264 9
2.6785 14
2.8101 15
2.6429 16
2.6176 17
2.6934 18
2.6875 14
2.6012 18
2.6778 11
3.0052 11
12 O 3.264 10
2.6646 9
2.9204 10
2.8499 13
2.8499 13
2.9633 18
2.7519 9
2.5761 13
2.6646 9
2.9204 10
2.7519 9
13 O 3.264 10
2.7754 9
2.7372 10
2.8499 12
2.8499 12
2.5801 14
2.8205 9
2.5761 12
2.7754 9
2.7372 10
2.8205 9
14 O 3.264 10
2.7203 10
2.6785 11
2.5801 13
2.8494 18
2.8494 18
2.6875 11
2.5363 18
2.7203 10
2.6785 11
2.6875 11
15 O 3.264 9
2.6619 9
2.8101 11
3.1458 16
3.1458 16
3.2277 17
3.2277 17
2.6017 17
2.6619 9
2.8101 11
16 O 3.264 9
2.7122 10
2.6429 11
3.1458 15
3.1458 15
2.6678 17
3.2486 10
2.7122 10
2.6429 11
3.2486 10
17 O 3.264 8
2.6176 11
3.2277 15
3.2277 15
2.6678 16
2.6266 9
2.6017 15
2.6176 11
2.6266 9
18 O 3.264 10
2.839 10
2.6934 11
2.9633 12
2.8494 14
2.8494 14
2.6012 11
2.5363 14
2.839 10
2.6934 11
2.6012 11
19 H 1.632 1
0.9754 18
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 0 0 1 4.786 9.572 0.054 284.33 2 14.6 54.9
2 1 0 0 5.458 10.916 0.062 218.07 2 2.7 1.5
3 1 0 -1 5.531 11.062 0.063 212.31 2 16.5 52.4
4 1 0 1 8.671 17.342 0.098 85.06 2 14.3 15.8
5 1 0 -2 8.809 17.619 0.099 82.34 2 49.2 181.5
6 0 1 1 9.158 18.316 0.103 76.02 4 18.0 44.7
7 1 1 0 9.531 19.063 0.107 70.02 4 16.9 36.4
8 1 1 -1 9.574 19.148 0.108 69.38 4 2.2 0.6
9 0 0 2 9.606 19.211 0.108 68.91 2 19.4 23.5
10 2 0 -1 9.926 19.852 0.112 64.39 2 0.2 0.0
11 2 0 0 10.967 21.933 0.123 52.36 2 49.2 115.2
12 2 0 -2 11.115 22.229 0.125 50.92 2 42.4 83.1
13 1 1 1 11.697 23.393 0.132 45.78 4 25.2 53.0
14 1 1 -2 11.801 23.602 0.133 44.93 4 9.6 7.6
15 0 1 2 12.414 24.829 0.14 40.4 4 16.3 19.6
16 2 1 -1 12.667 25.334 0.142 38.73 4 79.9 449.7
17 1 0 2 12.964 25.928 0.146 36.88 2 34.5 39.9
18 1 0 -3 13.122 26.244 0.147 35.95 2 13.5 5.9
19 2 1 0 13.508 27.017 0.152 33.81 4 22.3 30.6
20 2 1 -2 13.63 27.26 0.153 33.17 4 10.1 6.1
21 2 0 1 13.762 27.524 0.154 32.5 2 75.8 169.8
22 2 0 -3 14.0 28.001 0.157 31.34 2 1.7 0.1
23 0 0 3 14.495 28.99 0.162 29.1 2 31.1 25.6
24 3 0 -1 15.142 30.285 0.17 26.5 2 15.8 6.0
25 1 1 2 15.195 30.39 0.17 26.31 4 16.3 12.7
26 3 0 -2 15.225 30.449 0.17 26.2 2 96.8 223.4
27 1 1 -3 15.332 30.664 0.172 25.81 4 157.8 1168.1
28 0 2 0 15.729 31.457 0.176 24.42 2 148.3 488.2
29 2 1 1 15.89 31.78 0.178 23.89 4 58.5 148.8
30 2 1 -3 16.1 32.199 0.18 23.23 4 12.1 6.2
31 0 2 1 16.477 32.954 0.184 22.09 4 5.0 1.0
32 0 1 3 16.537 33.075 0.185 21.92 4 95.9 366.8
33 3 0 0 16.58 33.161 0.185 21.79 2 90.7 163.1
34 1 2 0 16.696 33.391 0.186 21.47 4 83.6 272.7
35 1 2 -1 16.721 33.442 0.187 21.4 4 0.7 0.0
36 3 0 -3 16.807 33.615 0.188 21.16 2 40.8 32.1
37 3 1 -1 17.115 34.23 0.191 20.34 4 122.4 554.5
38 3 1 -2 17.189 34.378 0.192 20.15 4 20.1 14.8
39 2 0 2 17.548 35.097 0.196 19.26 2 112.3 221.0
40 1 0 3 17.642 35.285 0.197 19.04 2 2.7 0.1
41 1 0 -4 17.81 35.62 0.199 18.65 2 54.4 50.2
42 2 0 -4 17.836 35.673 0.199 18.59 2 31.9 17.2
43 1 2 1 18.07 36.14 0.201 18.06 4 13.9 6.3
44 1 2 -2 18.141 36.281 0.202 17.91 4 54.0 95.2
45 3 1 0 18.416 36.832 0.205 17.33 4 5.3 0.9
46 0 2 2 18.562 37.123 0.207 17.03 4 68.7 146.2
47 3 1 -3 18.623 37.247 0.207 16.9 4 94.4 274.2
48 2 2 -1 18.738 37.477 0.209 16.68 4 41.4 52.1
49 3 0 1 19.236 38.473 0.214 15.74 2 18.2 4.7
50 2 1 2 19.304 38.608 0.215 15.62 4 17.2 8.4
51 2 2 0 19.34 38.68 0.215 15.55 4 2.7 0.2
52 1 1 3 19.39 38.781 0.216 15.46 4 36.2 36.8
53 2 2 -2 19.429 38.858 0.216 15.39 4 74.8 156.7
54 0 0 4 19.495 38.991 0.217 15.28 2 20.3 5.7
55 1 1 -4 19.545 39.09 0.217 15.19 4 32.9 30.0
56 3 0 -4 19.569 39.137 0.217 15.15 2 46.7 30.1
57 2 1 -4 19.569 39.139 0.217 15.15 4 38.5 40.8
58 4 0 -2 20.167 40.334 0.224 14.17 2 38.6 19.2
59 1 2 2 20.602 41.204 0.228 13.51 4 29.6 21.5
60 4 0 -1 20.692 41.384 0.229 13.38 2 131.8 211.4
61 1 2 -3 20.707 41.414 0.23 13.36 4 54.7 72.6
62 4 0 -3 20.859 41.719 0.231 13.14 2 58.0 40.2
63 3 1 1 20.87 41.741 0.231 13.13 4 18.5 8.2
64 0 1 4 21.113 42.226 0.234 12.79 4 45.4 47.9
65 2 2 1 21.141 42.281 0.234 12.75 4 100.5 234.4
66 3 1 -4 21.181 42.363 0.235 12.7 4 13.1 4.0
67 2 2 -3 21.305 42.611 0.236 12.53 4 103.3 243.1
68 0 2 3 21.652 43.304 0.24 12.09 4 82.5 149.8
69 4 1 -2 21.743 43.486 0.24 11.97 4 21.3 9.9
70 2 0 3 21.903 43.805 0.242 11.78 2 99.3 105.6
71 3 2 -1 22.114 44.229 0.244 11.53 4 30.5 19.5
72 3 2 -2 22.174 44.348 0.245 11.46 4 39.7 32.8
73 2 0 -5 22.222 44.444 0.245 11.4 2 35.5 13.1
74 4 1 -1 22.237 44.475 0.246 11.38 4 8.8 1.6
75 4 0 0 22.363 44.727 0.247 11.24 2 58.4 34.8
76 4 1 -3 22.396 44.791 0.247 11.2 4 10.9 2.4
77 1 0 4 22.569 45.138 0.249 11.01 2 21.3 4.5
78 4 0 -4 22.677 45.355 0.25 10.89 2 32.0 10.1
79 1 0 -5 22.745 45.49 0.251 10.82 2 11.0 1.2
80 3 0 2 22.753 45.507 0.251 10.81 2 4.7 0.2
81 3 0 -5 23.159 46.319 0.255 10.39 2 42.9 17.4
82 3 2 0 23.178 46.356 0.255 10.37 4 19.3 7.0
83 3 2 -3 23.35 46.701 0.257 10.19 4 1.2 0.0
84 2 1 3 23.384 46.768 0.258 10.16 4 43.7 35.4
85 2 1 -5 23.688 47.375 0.261 9.87 4 2.8 0.1
86 4 1 0 23.822 47.644 0.262 9.74 4 19.0 6.4
87 2 2 2 23.92 47.84 0.263 9.65 4 94.5 156.8
88 1 2 3 23.993 47.985 0.264 9.59 4 33.1 19.1
89 1 1 4 24.018 48.036 0.264 9.56 4 65.6 74.8
90 4 1 -4 24.121 48.243 0.265 9.47 4 6.1 0.6
91 1 2 -4 24.123 48.246 0.265 9.47 4 39.3 26.6
92 2 2 -4 24.144 48.288 0.266 9.45 4 94.5 153.4
93 1 1 -5 24.186 48.372 0.266 9.41 4 30.9 16.4
94 3 1 2 24.194 48.388 0.266 9.41 4 58.5 58.6
95 0 3 1 24.525 49.051 0.269 9.12 4 11.9 2.4
96 3 1 -5 24.582 49.163 0.27 9.07 4 23.3 9.0
97 0 0 5 24.656 49.311 0.271 9.01 2 33.3 9.1
98 1 3 0 24.683 49.366 0.271 8.99 4 34.6 19.6
99 1 3 -1 24.701 49.403 0.271 8.97 4 3.8 0.2
100 4 0 1 25.0 49.999 0.274 8.73 2 16.1 2.1
101 3 2 1 25.255 50.511 0.277 8.53 4 29.4 13.4
102 4 0 -5 25.432 50.864 0.279 8.4 2 18.3 2.5
103 0 2 4 25.465 50.93 0.279 8.37 4 48.0 35.1
104 3 2 -4 25.524 51.048 0.28 8.33 4 14.4 3.1
105 5 0 -2 25.611 51.222 0.281 8.26 2 86.0 55.6
106 5 0 -3 25.7 51.4 0.281 8.2 2 24.2 4.4
107 1 3 1 25.701 51.401 0.282 8.2 4 26.9 10.8
108 1 3 -2 25.754 51.508 0.282 8.16 4 3.7 0.2
109 4 2 -2 26.013 52.025 0.285 7.98 4 51.3 38.2
110 0 1 5 26.017 52.033 0.285 7.97 4 19.7 5.6
111 0 3 2 26.074 52.148 0.285 7.93 4 12.8 2.4
112 2 3 -1 26.209 52.419 0.287 7.84 4 66.1 62.3
113 4 1 1 26.348 52.695 0.288 7.75 4 0.4 0.0
114 4 2 -1 26.446 52.891 0.289 7.68 4 41.2 23.7
115 5 0 -1 26.534 53.067 0.29 7.62 2 32.7 7.4
116 4 2 -3 26.585 53.169 0.29 7.59 4 3.2 0.1
117 2 0 4 26.659 53.319 0.291 7.54 2 48.9 16.4
118 2 3 0 26.675 53.349 0.291 7.53 4 22.2 6.8
119 2 3 -2 26.744 53.488 0.292 7.49 4 11.1 1.7
120 4 1 -5 26.764 53.528 0.292 7.47 4 80.4 87.9
121 5 0 -4 26.793 53.587 0.293 7.46 2 18.0 2.2
122 3 0 3 26.889 53.779 0.294 7.4 2 1.4 0.0
123 5 1 -2 26.937 53.875 0.294 7.37 4 48.4 31.4
124 2 0 -6 27.004 54.008 0.295 7.32 2 88.5 52.2
125 5 1 -3 27.023 54.046 0.295 7.31 4 17.4 4.0
126 3 0 -6 27.351 54.703 0.298 7.11 2 74.3 35.7
127 2 2 3 27.46 54.92 0.299 7.05 4 16.9 3.7
128 1 3 2 27.672 55.343 0.301 6.93 4 9.8 1.2
129 2 2 -5 27.73 55.461 0.302 6.9 4 0.7 0.0
130 1 0 5 27.741 55.482 0.302 6.89 2 51.8 16.8
131 1 3 -3 27.756 55.512 0.302 6.88 4 108.5 147.4
132 5 1 -1 27.829 55.658 0.303 6.84 4 101.9 129.1
133 4 2 0 27.851 55.702 0.303 6.83 4 61.8 47.4
134 1 0 -6 27.926 55.852 0.304 6.79 2 148.1 135.3
135 2 1 4 27.951 55.901 0.304 6.77 4 53.1 34.8
136 1 2 4 28.026 56.053 0.305 6.73 4 75.8 70.3
137 5 1 -4 28.08 56.161 0.306 6.7 4 46.1 25.9
138 2 3 1 28.105 56.211 0.306 6.69 4 47.6 27.5
139 4 2 -4 28.119 56.238 0.306 6.68 4 126.8 195.3
140 3 1 3 28.173 56.347 0.306 6.65 4 23.9 6.9
141 1 2 -5 28.177 56.354 0.307 6.65 4 16.9 3.5
142 3 2 2 28.184 56.368 0.307 6.65 4 73.9 65.9
143 2 3 -3 28.239 56.478 0.307 6.62 4 5.8 0.4
144 2 1 -6 28.285 56.569 0.308 6.59 4 43.6 22.8
145 5 0 0 28.398 56.797 0.309 6.53 2 39.6 9.3
146 4 0 2 28.41 56.819 0.309 6.53 2 2.1 0.0
147 0 3 3 28.521 57.043 0.31 6.47 4 73.6 63.8
148 3 2 -5 28.533 57.066 0.31 6.46 4 17.2 3.5
149 3 1 -6 28.622 57.243 0.311 6.42 4 29.3 10.0
150 5 0 -5 28.811 57.623 0.313 6.32 2 11.5 0.8
151 3 3 -1 28.901 57.802 0.314 6.28 4 106.4 129.2
152 4 0 -6 28.937 57.875 0.314 6.26 2 151.3 130.4
153 3 3 -2 28.95 57.9 0.314 6.25 4 30.6 10.7
154 1 1 5 29.0 58.0 0.315 6.23 4 93.1 98.1
155 1 1 -6 29.18 58.359 0.316 6.14 4 19.3 4.2
156 5 1 0 29.639 59.278 0.321 5.93 4 52.1 29.3
157 4 1 2 29.65 59.3 0.321 5.93 4 91.7 90.7
158 3 3 0 29.786 59.572 0.322 5.87 4 4.6 0.2
159 0 2 5 29.835 59.67 0.323 5.85 4 19.2 3.9
160 3 3 -3 29.931 59.861 0.324 5.8 4 65.8 45.7
161 0 0 6 30.04 60.079 0.325 5.76 2 39.7 8.2
162 5 1 -5 30.041 60.083 0.325 5.76 4 27.6 8.0
163 4 2 1 30.138 60.276 0.326 5.71 4 14.4 2.1
164 4 1 -6 30.164 60.328 0.326 5.7 4 15.6 2.5
165 2 3 2 30.412 60.824 0.329 5.6 4 15.7 2.5
166 1 3 3 30.474 60.948 0.329 5.58 4 15.0 2.3
167 4 2 -5 30.52 61.04 0.33 5.56 4 40.9 16.9
168 1 3 -4 30.585 61.17 0.33 5.53 4 17.7 3.2
169 2 3 -4 30.602 61.205 0.33 5.52 4 22.4 5.0
170 5 2 -2 30.679 61.359 0.331 5.49 4 9.3 0.9
171 5 2 -3 30.758 61.517 0.332 5.46 4 9.0 0.8
172 5 0 1 31.096 62.192 0.335 5.33 2 12.3 0.7
173 6 0 -3 31.14 62.281 0.336 5.31 2 33.2 5.3
174 0 1 6 31.24 62.48 0.337 5.28 4 0.5 0.0
175 6 0 -2 31.496 62.992 0.339 5.18 2 2.5 0.0
176 5 2 -1 31.503 63.005 0.339 5.18 4 47.6 21.4
177 3 0 4 31.527 63.055 0.339 5.17 2 45.1 9.6
178 3 3 1 31.557 63.114 0.34 5.16 4 5.0 0.2
179 2 2 4 31.616 63.231 0.34 5.14 4 49.3 22.7
180 5 0 -6 31.643 63.286 0.341 5.13 2 27.3 3.5
181 6 0 -4 31.682 63.365 0.341 5.12 2 107.5 53.8
182 5 2 -4 31.736 63.472 0.341 5.1 4 110.4 113.0
183 0 3 4 31.738 63.477 0.341 5.1 4 35.1 11.4
184 2 0 5 31.782 63.564 0.342 5.08 2 18.8 1.6
185 3 3 -4 31.79 63.58 0.342 5.08 4 6.3 0.4
186 3 2 3 31.822 63.645 0.342 5.07 4 14.9 2.1
187 2 2 -6 31.926 63.852 0.343 5.03 4 84.9 66.0
188 3 0 -7 32.039 64.078 0.344 4.99 2 4.3 0.1
189 2 0 -7 32.153 64.307 0.345 4.95 2 16.4 1.2
190 4 3 -2 32.216 64.431 0.346 4.93 4 12.6 1.4
191 3 2 -6 32.239 64.479 0.346 4.93 4 82.8 61.4
192 5 1 1 32.274 64.548 0.347 4.91 4 31.9 9.1
193 6 1 -3 32.317 64.634 0.347 4.9 4 5.3 0.3
194 4 0 3 32.459 64.917 0.348 4.85 2 68.8 20.9
195 1 2 5 32.592 65.185 0.35 4.81 4 17.6 2.7
196 4 3 -1 32.595 65.19 0.35 4.81 4 2.1 0.0
197 6 1 -2 32.665 65.331 0.35 4.79 4 29.9 7.8
198 3 1 4 32.696 65.393 0.351 4.78 4 3.4 0.1
199 4 3 -3 32.717 65.434 0.351 4.77 4 13.5 1.6
200 6 0 -1 32.732 65.464 0.351 4.77 2 0.7 0.0
201 1 2 -6 32.76 65.521 0.351 4.76 4 30.9 8.3
202 5 1 -6 32.81 65.62 0.352 4.74 4 18.1 2.8
203 0 4 0 32.831 65.662 0.352 4.74 2 246.8 262.3
204 6 1 -4 32.848 65.697 0.352 4.73 4 42.5 15.6
205 2 1 5 32.946 65.893 0.353 4.7 4 87.6 65.6
206 4 0 -7 33.069 66.138 0.354 4.66 2 15.5 1.0
207 6 0 -5 33.097 66.195 0.354 4.66 2 40.1 6.8
208 5 2 0 33.191 66.382 0.355 4.63 4 35.5 10.6
209 3 1 -7 33.198 66.397 0.355 4.63 4 47.5 19.0
210 4 2 2 33.201 66.402 0.355 4.62 4 135.1 153.4
211 1 0 6 33.208 66.417 0.356 4.62 2 17.7 1.3
212 0 4 1 33.267 66.535 0.356 4.6 4 8.8 0.7
213 2 1 -7 33.31 66.621 0.356 4.59 4 48.4 19.5
214 1 4 0 33.398 66.795 0.357 4.57 4 4.7 0.2
215 1 0 -7 33.405 66.81 0.357 4.56 2 28.2 3.3
216 1 4 -1 33.413 66.825 0.357 4.56 4 9.7 0.8
217 2 3 3 33.491 66.983 0.358 4.54 4 31.8 8.3
218 5 2 -5 33.569 67.137 0.359 4.52 4 7.4 0.4
219 4 1 3 33.61 67.221 0.359 4.51 4 16.5 2.2
220 4 2 -6 33.684 67.369 0.36 4.49 4 44.7 16.3
221 2 3 -5 33.732 67.465 0.36 4.47 4 0.5 0.0
222 4 3 0 33.84 67.679 0.361 4.44 4 16.0 2.1
223 6 1 -1 33.879 67.758 0.362 4.43 4 50.1 20.2
224 1 3 4 33.997 67.993 0.363 4.4 4 64.2 33.0
225 4 3 -4 34.08 68.159 0.364 4.38 4 0.1 0.0
226 1 3 -5 34.131 68.263 0.364 4.36 4 23.5 4.4
227 3 3 2 34.138 68.276 0.364 4.36 4 34.5 9.4
228 4 1 -7 34.21 68.421 0.365 4.34 4 51.6 21.0
229 6 1 -5 34.238 68.476 0.365 4.34 4 16.0 2.0
230 1 4 1 34.245 68.49 0.365 4.33 4 13.4 1.4
231 1 4 -2 34.29 68.58 0.366 4.32 4 29.1 6.6
232 1 1 6 34.347 68.695 0.366 4.31 4 9.2 0.7
233 3 3 -5 34.451 68.902 0.367 4.28 4 29.3 6.7
234 5 0 2 34.525 69.05 0.368 4.26 2 72.7 20.5
235 1 1 -7 34.541 69.082 0.368 4.26 4 8.8 0.6
236 0 4 2 34.56 69.119 0.368 4.25 4 14.7 1.7
237 2 4 -1 34.674 69.348 0.369 4.22 4 0.8 0.0
238 0 2 6 34.7 69.401 0.37 4.22 4 70.7 38.3
239 6 0 0 34.8 69.601 0.37 4.19 2 13.6 0.7
240 2 4 0 35.07 70.139 0.373 4.13 4 26.5 5.3
241 2 4 -2 35.129 70.257 0.374 4.11 4 22.9 3.9
242 5 0 -7 35.191 70.383 0.374 4.1 2 8.1 0.2
243 6 0 -6 35.332 70.664 0.375 4.07 2 31.7 3.7
244 0 3 5 35.63 71.261 0.378 4.0 4 16.2 1.9
245 5 1 2 35.644 71.288 0.378 4.0 4 40.8 12.1
246 5 2 1 35.683 71.365 0.379 3.99 4 26.4 5.1
247 6 2 -3 35.724 71.448 0.379 3.98 4 34.8 8.8
248 0 0 7 35.735 71.469 0.379 3.98 2 42.4 6.5
249 4 3 1 35.907 71.813 0.381 3.94 4 1.3 0.0
250 6 1 0 35.916 71.831 0.381 3.94 4 2.7 0.1
251 1 4 2 35.926 71.853 0.381 3.94 4 17.7 2.2
252 1 4 -3 36.0 71.999 0.382 3.92 4 11.8 1.0
253 6 2 -2 36.056 72.112 0.382 3.91 4 80.5 46.0
254 3 2 4 36.086 72.172 0.382 3.9 4 14.9 1.6
255 5 2 -6 36.194 72.388 0.383 3.88 4 62.6 27.6
256 6 2 -4 36.231 72.462 0.384 3.87 4 90.9 58.2
257 4 3 -5 36.257 72.513 0.384 3.87 4 67.8 32.4
258 5 1 -7 36.301 72.603 0.384 3.86 4 17.9 2.2
259 2 4 1 36.303 72.606 0.384 3.86 4 51.7 18.7
260 2 2 5 36.325 72.649 0.385 3.85 4 25.7 4.6
261 5 3 -2 36.403 72.806 0.385 3.84 4 50.2 17.6
262 2 4 -3 36.419 72.839 0.385 3.83 4 6.9 0.3
263 6 1 -6 36.44 72.88 0.386 3.83 4 18.9 2.5
264 5 3 -3 36.476 72.951 0.386 3.82 4 8.8 0.5
265 3 2 -7 36.566 73.132 0.387 3.8 4 17.1 2.0
266 3 0 5 36.645 73.29 0.387 3.79 2 76.8 20.3
267 0 4 3 36.666 73.333 0.388 3.78 4 13.2 1.2
268 2 2 -7 36.673 73.346 0.388 3.78 4 15.0 1.6
269 0 1 7 36.838 73.676 0.389 3.75 4 48.2 15.9
270 4 2 3 36.961 73.922 0.39 3.73 4 87.8 52.3
271 3 4 -1 37.0 73.999 0.391 3.72 4 9.1 0.6
272 3 4 -2 37.043 74.086 0.391 3.71 4 69.7 32.8
273 4 0 4 37.087 74.174 0.391 3.7 2 74.6 18.8
274 7 0 -3 37.162 74.323 0.392 3.69 2 40.8 5.6
275 5 3 -1 37.162 74.324 0.392 3.69 4 99.4 66.4
276 3 0 -8 37.209 74.418 0.393 3.68 2 80.3 21.6
277 6 2 -1 37.219 74.437 0.393 3.68 4 66.8 29.9
278 7 0 -4 37.263 74.525 0.393 3.67 2 9.6 0.3
279 2 3 4 37.267 74.533 0.393 3.67 4 47.2 14.9
280 2 0 6 37.311 74.623 0.393 3.66 2 59.2 11.7
281 5 3 -4 37.378 74.757 0.394 3.65 4 31.1 6.4
282 3 3 3 37.458 74.917 0.395 3.64 4 26.9 4.8
283 4 2 -7 37.537 75.075 0.395 3.62 4 10.4 0.7
284 2 3 -6 37.554 75.109 0.396 3.62 4 41.8 11.5
285 6 2 -5 37.564 75.128 0.396 3.62 4 85.2 47.8
286 6 0 1 37.642 75.285 0.396 3.6 2 33.5 3.7
287 1 2 6 37.669 75.338 0.397 3.6 4 36.2 8.6
288 2 0 -8 37.714 75.428 0.397 3.59 2 57.5 10.8
289 3 1 5 37.738 75.476 0.397 3.59 4 7.8 0.4
290 4 0 -8 37.777 75.555 0.398 3.58 2 39.1 5.0
291 3 4 0 37.783 75.566 0.398 3.58 4 64.1 26.8
292 3 3 -6 37.846 75.692 0.398 3.57 4 33.8 7.4
293 1 2 -7 37.856 75.711 0.398 3.57 4 15.3 1.5
294 7 0 -2 37.887 75.773 0.399 3.56 2 10.7 0.4
295 3 4 -3 37.912 75.824 0.399 3.56 4 27.9 5.0
296 1 3 5 38.175 76.351 0.401 3.52 4 85.5 46.8
297 4 1 4 38.175 76.351 0.401 3.52 4 4.5 0.1
298 7 0 -5 38.187 76.374 0.401 3.51 2 0.2 0.0
299 7 1 -3 38.249 76.499 0.402 3.5 4 8.2 0.4
300 3 1 -8 38.296 76.592 0.402 3.5 4 9.9 0.6
301 6 0 -7 38.329 76.659 0.403 3.49 2 44.4 6.3
302 1 3 -6 38.332 76.665 0.403 3.49 4 7.3 0.3
303 2 4 2 38.343 76.686 0.403 3.49 4 91.4 53.0
304 7 1 -4 38.349 76.699 0.403 3.49 4 15.8 1.6
305 2 1 6 38.398 76.795 0.403 3.48 4 4.2 0.1
306 1 4 3 38.398 76.797 0.403 3.48 4 5.0 0.2
307 1 4 -4 38.498 76.996 0.404 3.46 4 43.4 11.9
308 2 4 -4 38.514 77.028 0.404 3.46 4 16.9 1.8
309 5 0 3 38.623 77.247 0.405 3.45 2 4.9 0.1
310 6 1 1 38.726 77.451 0.406 3.43 4 2.6 0.0
311 5 3 0 38.736 77.471 0.406 3.43 4 47.4 14.0
312 4 3 2 38.745 77.491 0.406 3.43 4 77.0 37.0
313 2 1 -8 38.796 77.593 0.407 3.42 4 21.4 2.9
314 4 1 -8 38.859 77.719 0.407 3.41 4 3.9 0.1
315 5 2 2 38.922 77.844 0.408 3.4 4 24.6 3.7
316 7 1 -2 38.968 77.935 0.408 3.39 4 29.9 5.5
317 1 0 7 39.066 78.132 0.409 3.38 2 27.7 2.4
318 5 3 -5 39.091 78.182 0.409 3.38 4 13.4 1.1
319 6 2 0 39.185 78.37 0.41 3.36 4 38.3 9.0
320 4 3 -6 39.2 78.399 0.41 3.36 4 11.1 0.8
321 7 1 -5 39.266 78.531 0.411 3.35 4 1.4 0.0
322 1 0 -8 39.279 78.557 0.411 3.35 2 22.1 1.5
323 3 4 1 39.377 78.754 0.412 3.34 4 16.1 1.6
324 5 0 -8 39.404 78.808 0.412 3.33 2 9.5 0.3
325 6 1 -7 39.407 78.813 0.412 3.33 4 83.8 42.6
326 7 0 -1 39.423 78.845 0.412 3.33 2 15.3 0.7
327 0 4 4 39.542 79.084 0.413 3.31 4 0.1 0.0
328 5 2 -7 39.56 79.119 0.413 3.31 4 18.5 2.1
329 3 4 -4 39.589 79.178 0.414 3.31 4 48.6 14.2
330 6 2 -6 39.695 79.389 0.415 3.29 4 24.0 3.4
331 5 1 3 39.698 79.397 0.415 3.29 4 7.4 0.3
332 7 0 -6 39.917 79.834 0.417 3.27 2 10.4 0.3
333 4 4 -2 39.978 79.956 0.417 3.26 4 15.8 1.5
334 0 2 7 40.082 80.163 0.418 3.24 4 79.1 36.9
335 1 1 7 40.138 80.275 0.418 3.24 4 19.5 2.2
336 0 3 6 40.161 80.322 0.419 3.23 4 8.1 0.4
337 4 4 -1 40.326 80.653 0.42 3.21 4 77.4 35.0
338 1 1 -8 40.349 80.698 0.42 3.21 4 21.8 2.8
339 4 4 -3 40.439 80.878 0.421 3.2 4 34.6 7.0
340 5 1 -8 40.473 80.947 0.421 3.2 4 8.4 0.4
341 7 1 -1 40.492 80.984 0.421 3.2 4 0.6 0.0
342 3 2 5 40.96 81.92 0.426 3.14 4 41.4 9.8
343 7 1 -6 40.983 81.967 0.426 3.14 4 29.0 4.8
344 5 3 1 41.097 82.194 0.427 3.13 4 34.7 6.8
345 6 3 -3 41.137 82.273 0.427 3.12 4 5.4 0.2
346 2 4 3 41.155 82.31 0.427 3.12 4 58.6 19.5
347 6 0 2 41.218 82.436 0.428 3.11 2 27.0 2.1
348 2 4 -5 41.379 82.758 0.429 3.1 4 23.3 3.0
349 4 2 4 41.388 82.776 0.429 3.1 4 31.4 5.5
350 6 3 -2 41.455 82.909 0.43 3.09 4 30.0 5.1
351 7 2 -3 41.461 82.921 0.43 3.09 4 60.7 20.7
352 4 4 0 41.479 82.959 0.43 3.09 4 35.9 7.2
353 3 3 4 41.483 82.966 0.43 3.09 4 10.3 0.6
354 3 2 -8 41.506 83.013 0.43 3.09 4 29.3 4.8
355 7 2 -4 41.558 83.117 0.431 3.08 4 19.6 2.1
356 5 3 -6 41.587 83.174 0.431 3.08 4 11.0 0.7
357 2 2 6 41.606 83.212 0.431 3.08 4 25.6 3.7
358 6 3 -4 41.623 83.245 0.431 3.07 4 42.6 10.2
359 1 4 4 41.626 83.251 0.431 3.07 4 15.3 1.3
360 4 4 -4 41.703 83.406 0.432 3.07 4 25.0 3.5
361 2 3 5 41.712 83.425 0.432 3.07 4 78.8 34.6
362 7 0 0 41.747 83.493 0.432 3.06 2 2.2 0.0
363 1 4 -5 41.751 83.503 0.432 3.06 4 2.7 0.0
364 3 4 2 41.757 83.515 0.432 3.06 4 1.3 0.0
365 0 0 8 41.872 83.743 0.433 3.05 2 18.4 0.9
366 6 2 1 41.927 83.855 0.434 3.04 4 29.1 4.7
367 3 3 -7 41.944 83.889 0.434 3.04 4 45.2 11.3
368 2 2 -8 41.997 83.994 0.434 3.04 4 23.9 3.2
369 2 3 -7 42.048 84.095 0.435 3.03 4 41.4 9.4
370 3 4 -5 42.051 84.102 0.435 3.03 4 28.1 4.4
371 6 0 -8 42.057 84.115 0.435 3.03 2 79.6 17.5
372 4 2 -8 42.059 84.118 0.435 3.03 4 33.5 6.2
373 7 2 -2 42.165 84.331 0.436 3.02 4 21.8 2.6
374 6 1 2 42.278 84.555 0.437 3.01 4 4.8 0.1
375 3 0 6 42.301 84.602 0.437 3.01 2 5.6 0.1
376 4 0 5 42.313 84.625 0.437 3.01 2 3.2 0.0
377 4 3 3 42.325 84.65 0.437 3.01 4 17.7 1.7
378 7 0 -7 42.431 84.861 0.438 3.0 2 13.5 0.5
379 7 2 -5 42.458 84.917 0.438 3.0 4 18.8 1.9
380 6 3 -1 42.574 85.148 0.439 2.99 4 43.1 10.1
381 6 2 -7 42.597 85.194 0.439 2.99 4 24.6 3.3
382 7 1 0 42.804 85.608 0.441 2.97 4 79.0 33.7
383 4 3 -7 42.882 85.765 0.442 2.96 4 50.3 13.6
384 5 2 3 42.884 85.769 0.442 2.96 4 5.0 0.1
385 6 3 -5 42.908 85.817 0.442 2.96 4 11.5 0.7
386 3 0 -9 42.928 85.856 0.442 2.96 2 25.0 1.7
387 0 1 8 42.929 85.857 0.442 2.96 4 65.1 22.8
388 1 3 6 43.01 86.021 0.443 2.95 4 2.6 0.0
389 0 5 1 43.065 86.129 0.443 2.95 4 13.5 1.0
390 4 0 -9 43.093 86.186 0.443 2.95 2 15.9 0.7
391 6 1 -8 43.114 86.227 0.444 2.95 4 31.9 5.4
392 0 4 5 43.164 86.327 0.444 2.94 4 23.1 2.9
393 1 5 0 43.184 86.369 0.444 2.94 4 0.5 0.0
394 1 3 -7 43.191 86.382 0.444 2.94 4 0.6 0.0
395 1 5 -1 43.198 86.397 0.444 2.94 4 2.3 0.0
396 1 2 7 43.318 86.636 0.445 2.93 4 24.3 3.2
397 3 1 6 43.357 86.714 0.446 2.93 4 54.3 15.7
398 2 0 7 43.357 86.715 0.446 2.93 2 44.9 5.4
399 4 1 5 43.368 86.736 0.446 2.93 4 33.7 6.0
400 5 0 4 43.392 86.783 0.446 2.93 2 3.0 0.0
401 4 4 1 43.426 86.852 0.446 2.92 4 2.7 0.0
402 7 1 -7 43.486 86.972 0.447 2.92 4 87.4 40.5
403 1 2 -8 43.526 87.053 0.447 2.92 4 51.1 13.8
404 8 0 -4 43.592 87.184 0.448 2.91 2 27.4 2.0
405 5 2 -8 43.65 87.299 0.448 2.91 4 64.2 21.8
406 7 2 -1 43.668 87.335 0.448 2.91 4 25.8 3.5
407 4 4 -5 43.76 87.519 0.449 2.9 4 5.7 0.2
408 2 0 -9 43.802 87.604 0.449 2.9 2 48.1 6.1
409 8 0 -3 43.88 87.76 0.45 2.89 2 98.4 25.5
410 5 4 -2 43.899 87.799 0.45 2.89 4 60.3 19.1
411 5 4 -3 43.969 87.937 0.451 2.89 4 11.5 0.7
412 1 5 1 43.969 87.938 0.451 2.89 4 8.8 0.4
413 3 1 -9 43.982 87.965 0.451 2.89 4 32.3 5.5
414 1 5 -2 44.011 88.022 0.451 2.88 4 12.4 0.8
415 8 0 -5 44.102 88.205 0.452 2.88 2 55.7 8.1
416 4 1 -9 44.147 88.293 0.452 2.88 4 85.8 38.5
417 7 2 -6 44.154 88.308 0.452 2.87 4 42.4 9.4
418 5 3 2 44.23 88.461 0.453 2.87 4 47.2 11.6
419 0 5 2 44.262 88.525 0.453 2.87 4 12.9 0.9
420 5 0 -9 44.295 88.59 0.453 2.87 2 23.8 1.5
421 2 5 -1 44.37 88.739 0.454 2.86 4 45.3 10.7
422 2 1 7 44.411 88.822 0.454 2.86 4 17.5 1.6
423 5 1 4 44.445 88.89 0.455 2.86 4 24.1 3.0
424 6 3 0 44.488 88.976 0.455 2.86 4 1.4 0.0
425 5 4 -1 44.628 89.256 0.456 2.85 4 31.6 5.2
426 8 1 -4 44.645 89.29 0.456 2.85 4 25.9 3.5
427 2 4 4 44.728 89.457 0.457 2.84 4 34.9 6.3
428 2 5 0 44.741 89.482 0.457 2.84 4 16.7 1.4
429 2 5 -2 44.796 89.593 0.457 2.84 4 10.6 0.6
430 5 4 -4 44.836 89.672 0.458 2.84 4 16.6 1.4
431 7 0 1 44.847 89.694 0.458 2.84 2 64.0 10.6
432 2 1 -9 44.855 89.71 0.458 2.84 4 62.5 20.1
433 5 3 -7 44.855 89.711 0.458 2.84 4 18.1 1.7
434 3 4 3 44.913 89.827 0.458 2.83 4 1.9 0.0
435 8 1 -3 44.933 89.866 0.458 2.83 4 2.0 0.0
436 8 0 -2 44.966 89.931 0.459 2.83 2 92.0 21.8
437 6 3 -6 44.988 89.976 0.459 2.83 4 17.4 1.6
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 0 0 1 4.786 9.572 9.23231 54.9 4.7 4.8 5.6
2 1 0 -1 5.531 11.062 7.99168 52.4 4.5 4.5 5.6
3 1 0 1 8.671 17.342 5.10943 15.8 1.4 1.4 5.6
4 1 0 -2 8.809 17.619 5.02961 181.5 15.5 15.7 5.6
5 0 1 1 9.158 18.316 4.83961 44.7 3.8 3.9 5.6
6 1 1 0 9.531 19.063 4.65181 36.4 3.1 3.1 5.6
7 0 0 2 9.606 19.211 4.61616 23.5 2.0 2.0 5.6
8 2 0 0 10.967 21.933 4.04901 115.2 9.9 9.9 5.6
9 2 0 -2 11.115 22.229 3.99584 83.1 7.1 7.2 5.6
10 1 1 1 11.697 23.393 3.79956 53.0 4.5 4.6 5.6
11 0 1 2 12.414 24.829 3.58306 19.6 1.7 1.7 5.6
12 2 1 -1 12.667 25.334 3.51268 449.7 38.5 38.7 5.6
13 1 0 2 12.964 25.928 3.43351 39.9 3.4 3.4 5.6
14 2 1 0 13.508 27.017 3.29763 30.6 2.6 2.6 5.6
15 2 0 1 13.762 27.524 3.23803 169.8 14.5 14.6 5.6
16 0 0 3 14.495 28.99 3.07744 25.6 2.2 2.2 5.6
17 1 1 2 15.195 30.39 2.93878 12.7 1.1 1.1 5.6
18 3 0 -2 15.225 30.449 2.93322 223.4 19.1 19.1 5.6
19 1 1 -3 15.332 30.664 2.9132 1168.1 100.0 100.0 5.6
20 0 2 0 15.729 31.457 2.8415 488.2 41.8 41.8 5.6
21 2 1 1 15.89 31.78 2.8134 148.8 12.7 12.7 5.6
22 0 1 3 16.537 33.075 2.70614 366.8 31.4 31.3 5.6
23 3 0 0 16.58 33.161 2.69934 163.1 14.0 13.9 5.6
24 1 2 0 16.696 33.391 2.68123 272.7 23.3 23.3 5.7
25 3 0 -3 16.807 33.615 2.66389 32.1 2.7 2.7 5.7
26 3 1 -1 17.115 34.23 2.61743 554.5 47.5 47.3 5.7
27 3 1 -2 17.189 34.378 2.60651 14.8 1.3 1.3 5.7
28 2 0 2 17.548 35.097 2.55472 221.0 18.9 18.8 5.7
29 1 0 -4 17.81 35.62 2.51841 67.4 5.8 5.7 5.7
30 1 2 -2 18.141 36.281 2.47398 95.2 8.1 8.1 5.7
31 0 2 2 18.562 37.123 2.4198 146.2 12.5 12.4 5.7
32 3 1 -3 18.623 37.247 2.41205 274.2 23.5 23.3 5.7
33 2 2 -1 18.738 37.477 2.39777 52.1 4.5 4.4 5.7
34 1 1 3 19.39 38.781 2.32011 36.8 3.2 3.1 5.7
35 2 2 -2 19.429 38.858 2.31569 156.7 13.4 13.3 5.7
36 2 1 -4 19.569 39.139 2.2997 100.9 8.6 8.6 5.7
37 4 0 -2 20.167 40.334 2.23426 19.2 1.6 1.6 5.7
38 1 2 2 20.602 41.204 2.18908 21.5 1.8 1.8 5.7
39 4 0 -1 20.692 41.384 2.17999 284.0 24.3 24.1 5.7
40 4 0 -3 20.859 41.719 2.16325 48.3 4.1 4.1 5.7
41 2 2 1 21.141 42.281 2.13576 282.3 24.2 23.9 5.7
42 2 2 -3 21.305 42.611 2.12001 243.1 20.8 20.6 5.7
43 0 2 3 21.652 43.304 2.08768 149.8 12.8 12.7 5.7
44 2 0 3 21.903 43.805 2.06492 105.6 9.0 8.9 5.7
45 3 2 -1 22.114 44.229 2.04613 19.5 1.7 1.6 5.7
46 3 2 -2 22.174 44.348 2.0409 32.8 2.8 2.8 5.7
47 2 0 -5 22.222 44.444 2.03673 14.7 1.3 1.2 5.7
48 4 0 0 22.363 44.727 2.0245 34.8 3.0 2.9 5.7
49 3 0 -5 23.159 46.319 1.95856 24.4 2.1 2.1 5.7
50 2 1 3 23.384 46.768 1.94077 35.4 3.0 3.0 5.7
51 2 2 2 23.92 47.84 1.89978 156.8 13.4 13.2 5.7
52 1 1 4 24.018 48.036 1.89245 93.9 8.0 7.9 5.7
53 2 2 -4 24.144 48.288 1.88319 180.0 15.4 15.1 5.7
54 3 1 2 24.194 48.388 1.87953 75.0 6.4 6.3 5.7
55 1 3 0 24.683 49.366 1.84454 28.7 2.5 2.4 5.7
56 3 2 1 25.255 50.511 1.8054 13.4 1.1 1.1 5.8
57 0 2 4 25.465 50.93 1.79153 35.1 3.0 2.9 5.8
58 5 0 -2 25.611 51.222 1.78197 55.6 4.8 4.7 5.8
59 1 3 1 25.701 51.401 1.77619 15.2 1.3 1.3 5.8
60 4 2 -2 26.013 52.025 1.75634 43.8 3.7 3.7 5.8
61 2 3 -1 26.209 52.419 1.74409 62.3 5.3 5.2 5.8
62 4 2 -1 26.446 52.891 1.72961 23.7 2.0 2.0 5.8
63 2 0 4 26.659 53.319 1.71675 23.1 2.0 1.9 5.8
64 4 1 -5 26.764 53.528 1.71052 89.6 7.7 7.5 5.8
65 5 1 -2 26.937 53.875 1.70034 31.4 2.7 2.6 5.8
66 2 0 -6 27.004 54.008 1.69645 56.2 4.8 4.7 5.8
67 3 0 -6 27.351 54.703 1.67654 35.7 3.1 3.0 5.8
68 1 3 -3 27.756 55.512 1.654 164.2 14.1 13.7 5.8
69 5 1 -1 27.829 55.658 1.65001 176.5 15.1 14.7 5.8
70 1 0 -6 27.926 55.852 1.64473 170.1 14.6 14.2 5.8
71 1 2 4 28.026 56.053 1.63932 70.3 6.0 5.9 5.8
72 4 2 -4 28.119 56.238 1.63436 248.8 21.3 20.7 5.8
73 3 2 2 28.184 56.368 1.6309 76.3 6.5 6.4 5.8
74 2 1 -6 28.285 56.569 1.62557 22.8 2.0 1.9 5.8
75 0 3 3 28.521 57.043 1.6132 67.3 5.8 5.6 5.8
76 3 3 -1 28.901 57.802 1.5938 129.2 11.1 10.7 5.8
77 4 0 -6 28.937 57.875 1.59197 141.0 12.1 11.7 5.8
78 1 1 5 29.0 58.0 1.58883 98.1 8.4 8.2 5.8
79 4 1 2 29.65 59.3 1.55706 120.0 10.3 9.9 5.8
80 3 3 -3 29.931 59.861 1.54379 45.7 3.9 3.8 5.8
81 0 0 6 30.04 60.079 1.53872 16.2 1.4 1.3 5.8
82 4 2 -5 30.52 61.04 1.51677 16.9 1.4 1.4 5.8
83 5 2 -1 31.503 63.005 1.47411 30.9 2.6 2.6 5.9
84 2 2 4 31.616 63.231 1.46939 26.2 2.2 2.2 5.9
85 6 0 -4 31.682 63.365 1.46661 53.8 4.6 4.4 5.9
86 5 2 -4 31.736 63.472 1.46439 124.4 10.6 10.2 5.9
87 2 2 -6 31.926 63.852 1.4566 66.0 5.6 5.4 5.9
88 3 2 -6 32.239 64.479 1.44394 62.9 5.4 5.2 5.9
89 4 0 3 32.459 64.917 1.43524 20.9 1.8 1.7 5.9
90 0 4 0 32.831 65.662 1.42075 280.7 24.0 23.0 5.9
91 2 1 5 32.946 65.893 1.41634 65.6 5.6 5.4 5.9
92 4 2 2 33.201 66.402 1.4067 184.3 15.8 15.1 5.9
93 2 1 -7 33.31 66.621 1.40261 19.5 1.7 1.6 5.9
94 4 2 -6 33.684 67.369 1.38885 16.3 1.4 1.3 5.9
95 6 1 -1 33.879 67.758 1.38182 20.2 1.7 1.7 5.9
96 1 3 4 33.997 67.993 1.37761 33.0 2.8 2.7 5.9
97 3 3 2 34.138 68.276 1.3726 13.8 1.2 1.1 5.9
98 4 1 -7 34.21 68.421 1.37004 23.0 2.0 1.9 5.9
99 5 0 2 34.525 69.05 1.35908 21.1 1.8 1.7 5.9
100 0 2 6 34.7 69.401 1.35307 38.3 3.3 3.1 5.9
101 5 1 2 35.644 71.288 1.3218 14.0 1.2 1.1 5.9
102 6 2 -3 35.724 71.448 1.31924 15.3 1.3 1.2 5.9
103 6 2 -2 36.056 72.112 1.30871 47.6 4.1 3.9 5.9
104 5 2 -6 36.194 72.388 1.3044 27.6 2.4 2.2 5.9
105 6 2 -4 36.231 72.462 1.30325 90.5 7.8 7.3 5.9
106 2 2 5 36.325 72.649 1.30036 25.6 2.2 2.1 6.0
107 5 3 -2 36.403 72.806 1.29795 17.9 1.5 1.5 6.0
108 3 0 5 36.645 73.29 1.29056 23.1 2.0 1.9 6.0
109 0 1 7 36.838 73.676 1.28476 15.9 1.4 1.3 6.0
110 4 2 3 36.961 73.922 1.28109 52.3 4.5 4.2 6.0
111 3 4 -2 37.043 74.086 1.27865 32.8 2.8 2.7 6.0
112 4 0 4 37.087 74.174 1.27736 18.8 1.6 1.5 6.0
113 5 3 -1 37.162 74.324 1.27514 71.9 6.2 5.8 6.0
114 6 2 -1 37.219 74.437 1.27349 51.5 4.4 4.2 6.0
115 2 3 4 37.267 74.533 1.27209 14.9 1.3 1.2 6.0
116 2 0 6 37.311 74.623 1.27078 11.7 1.0 0.9 6.0
117 6 2 -5 37.564 75.128 1.26348 59.3 5.1 4.8 6.0
118 1 2 6 37.669 75.338 1.26048 12.2 1.0 1.0 6.0
119 3 4 0 37.783 75.566 1.25724 31.8 2.7 2.6 6.0
120 1 3 5 38.175 76.351 1.24627 46.9 4.0 3.8 6.0
121 2 4 2 38.343 76.686 1.24166 61.2 5.2 4.9 6.0
122 1 4 -4 38.498 76.996 1.23742 13.7 1.2 1.1 6.0
123 4 3 2 38.745 77.491 1.23076 51.0 4.4 4.1 6.0
124 6 1 -7 39.407 78.813 1.21338 44.4 3.8 3.6 6.0
125 3 4 -4 39.589 79.178 1.2087 16.2 1.4 1.3 6.0
126 0 2 7 40.082 80.163 1.19631 36.9 3.2 2.9 6.0
127 4 4 -1 40.326 80.653 1.19028 37.8 3.2 3.0 6.1
128 3 2 5 40.96 81.92 1.17505 14.6 1.2 1.2 6.1
129 2 4 3 41.155 82.31 1.17046 19.5 1.7 1.6 6.1
130 4 4 0 41.479 82.959 1.16295 38.4 3.3 3.0 6.1
131 6 3 -4 41.623 83.245 1.15967 15.1 1.3 1.2 6.1
132 2 3 5 41.712 83.425 1.15763 38.1 3.3 3.0 6.1
133 3 3 -7 41.944 83.889 1.15241 16.0 1.4 1.3 6.1
134 6 0 -8 42.057 84.115 1.14989 37.5 3.2 3.0 6.1
135 6 3 -1 42.574 85.148 1.13855 13.4 1.1 1.1 6.1
136 7 1 0 42.804 85.608 1.13361 33.7 2.9 2.7 6.1
137 4 3 -7 42.882 85.765 1.13194 14.5 1.2 1.1 6.1
138 0 1 8 42.929 85.857 1.13096 24.5 2.1 1.9 6.1
139 3 1 6 43.357 86.714 1.12198 27.1 2.3 2.1 6.1
140 7 1 -7 43.486 86.972 1.11931 40.5 3.5 3.2 6.1
141 1 2 -8 43.526 87.053 1.11847 13.8 1.2 1.1 6.1
142 5 2 -8 43.65 87.299 1.11595 25.3 2.2 2.0 6.2
143 8 0 -3 43.88 87.76 1.11128 44.6 3.8 3.5 6.2
144 4 1 -9 44.147 88.293 1.10593 47.9 4.1 3.7 6.2
145 5 3 -7 44.855 89.711 1.0921 33.8 2.9 2.6 6.2
146 8 0 -2 44.966 89.931 1.08999 23.3 2.0 1.8 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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