Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
ERIONITE-K
2, s-zeolites, sf-stellerite, DF, ZL
Na(0.13)K(2.63)Mg(0.76)Ca(1.57)Al(7.3)Si(28.6)O(72).28H(2)O
Hexagonal P 6(3)/mmc Z = 1
R =0.038 NR =1357
28 .7 .23
Ref.Str.:
Giacobbe C., Moliterni A., Di Giuseppe D., Malferrari D., Wright J.P.,
Mattioli, M., Ranieri S., Giannini C., Fornasini L., Mugnaioli E.,
Ballirano P., Gualtieri A.F. (2023) * IUCrJ, 10(4), 397-410,
Doi: 10.1107/S2052252523003500
L: $Al7.44 Ca2.62 K2.63 Mg0.76 Na0.13 O100.80 Si28.56$
R: Locality - Cappadocia, Turkey. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.2708 alpha = 90.0
b = 13.2708 beta = 90.0
c = 15.0958 gamma = 120.0
Unit cell volume (cub. angs.) = 2302.4
Molar volume ( cub.cm/mol.) = 1386.82
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.25 0.0 K = 1.00
2 0.5 0.0 0.0 0.0 K = 0.1 , K = 0.0
3 0.3333 0.6667 0.4016 0.0 Ca = 0.39, Ca = 0.0
4 0.6667 0.3333 0.4186 0.0 Ca = 0.21, Na = 0.03
5 0.6667 0.3333 0.2951 0.0 Mg = 0.15, Ca = 0.06
6 0.234 0.9998 0.1046 0.0 Si = 0.86, Al = 0.14
7 0.3317 0.9062 0.25 0.0 Si = 0.66, Al = 0.34
8 0.3224 0.9722 0.1611 0.0 O = 1.00
9 0.0978 0.9022 0.1262 0.0 O = 1.00
10 0.2521 0.1261 0.1352 0.0 O = 1.00
11 0.265 0.0 0.0 0.0 O = 1.00
12 0.231 0.769 0.25 0.0 O = 1.00
13 0.4586 0.9171 0.25 0.0 O = 1.00
14 0.506 0.2529 0.5049 0.0 H(2)O = 0.62, H(2)O = 0.0
15 0.513 0.2565 0.2026 0.0 H(2)O = 0.35, H(2)O = 0.0
16 0.837 0.4186 0.3759 0.0 H(2)O = 0.61, H(2)O = 0.0
17 0.485 0.242 0.25 0.0 H(2)O = 0.3 , H(2)O = 0.0
18 0.3333 0.6667 0.25 0.0 H(2)O = 0.12, H(2)O = 0.0
19 0.4487 0.8974 0.9882 0.0 H(2)O = 0.3 , H(2)O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.25
2 2 0.5 0.0 0.0
3 3 0.3333 0.6667 0.4016
4 4 0.6667 0.3333 0.4186
5 5 0.6667 0.3333 0.2951
6 6 0.234 0.9998 0.1046
7 7 0.3317 0.9062 0.25
8 8 0.3224 0.9722 0.1611
9 9 0.0978 0.9022 0.1262
10 10 0.2521 0.1261 0.1352
11 11 0.265 0.0 0.0
12 12 0.231 0.769 0.25
13 13 0.4586 0.9171 0.25
14 14 0.506 0.2529 0.5049
15 15 0.513 0.2565 0.2026
16 16 0.837 0.4186 0.3759
17 17 0.485 0.242 0.25
18 18 0.3333 0.6667 0.25
19 19 0.4487 0.8974 0.9882
20 2 0.0 0.5 0.0
21 2 0.5 0.5 0.0
22 6 0.0002 0.2342 0.1046
23 6 0.7658 0.766 0.1046
24 7 0.0938 0.4255 0.25
25 7 0.5745 0.6683 0.25
26 8 0.0278 0.3502 0.1611
27 8 0.6498 0.6776 0.1611
28 9 0.0978 0.1955 0.1262
29 9 0.8045 0.9023 0.1262
30 10 0.8739 0.126 0.1352
31 10 0.874 0.7479 0.1352
32 11 0.0 0.265 0.0
33 11 0.735 0.735 0.0
34 12 0.231 0.4619 0.25
35 12 0.5381 0.769 0.25
36 13 0.0829 0.5415 0.25
37 13 0.4585 0.5414 0.25
38 14 0.7471 0.2531 0.5049
39 14 0.7469 0.494 0.5049
40 15 0.7435 0.2565 0.2026
41 15 0.7435 0.487 0.2026
42 16 0.5814 0.4184 0.3759
43 16 0.5816 0.163 0.3759
44 17 0.758 0.243 0.25
45 17 0.757 0.515 0.25
46 19 0.1026 0.5513 0.9882
47 19 0.4487 0.5513 0.9882
48 1 0.0 0.0 0.75
49 2 0.5 0.0 0.5
50 3 0.6667 0.3333 0.9016
51 4 0.3333 0.6667 0.9186
52 5 0.3333 0.6667 0.7951
53 6 0.766 0.0002 0.6046
54 7 0.6683 0.0938 0.75
55 8 0.6776 0.0278 0.6611
56 9 0.9022 0.0978 0.6262
57 10 0.7479 0.8739 0.6352
58 11 0.735 0.0 0.5
59 12 0.769 0.231 0.75
60 13 0.5414 0.0829 0.75
61 14 0.494 0.7471 0.0049
62 15 0.487 0.7435 0.7026
63 16 0.163 0.5814 0.8759
64 17 0.515 0.758 0.75
65 18 0.6667 0.3333 0.75
66 19 0.5513 0.1026 0.4882
67 2 0.0 0.5 0.5
68 2 0.5 0.5 0.5
69 6 0.9998 0.7658 0.6046
70 6 0.2342 0.234 0.6046
71 7 0.9062 0.5745 0.75
72 7 0.4255 0.3317 0.75
73 8 0.9722 0.6498 0.6611
74 8 0.3502 0.3224 0.6611
75 9 0.9022 0.8045 0.6262
76 9 0.1955 0.0977 0.6262
77 10 0.1261 0.874 0.6352
78 10 0.126 0.2521 0.6352
79 11 0.0 0.735 0.5
80 11 0.265 0.265 0.5
81 12 0.769 0.5381 0.75
82 12 0.4619 0.231 0.75
83 13 0.9171 0.4585 0.75
84 13 0.5415 0.4586 0.75
85 14 0.2529 0.7469 0.0049
86 14 0.2531 0.506 0.0049
87 15 0.2565 0.7435 0.7026
88 15 0.2565 0.513 0.7026
89 16 0.4186 0.5816 0.8759
90 16 0.4184 0.837 0.8759
91 17 0.242 0.757 0.75
92 17 0.243 0.485 0.75
93 19 0.8974 0.4487 0.4882
94 19 0.5513 0.4487 0.4882
95 6 0.234 0.2342 0.1046
96 7 0.3317 0.4255 0.25
97 8 0.3224 0.3503 0.1611
98 11 0.265 0.265 0.0
99 17 0.485 0.243 0.25
100 6 0.0002 0.766 0.1046
101 6 0.7658 0.9998 0.1046
102 7 0.0938 0.6683 0.25
103 7 0.5745 0.9062 0.25
104 8 0.0278 0.6776 0.1611
105 8 0.6498 0.9722 0.1611
106 11 0.0 0.735 0.0
107 11 0.735 0.0 0.0
108 6 0.766 0.7658 0.6046
109 7 0.6683 0.5745 0.75
110 8 0.6776 0.6497 0.6611
111 11 0.735 0.735 0.5
112 17 0.515 0.757 0.75
113 6 0.9998 0.234 0.6046
114 6 0.2342 0.0002 0.6046
115 7 0.9062 0.3317 0.75
116 7 0.4255 0.0938 0.75
117 8 0.9722 0.3224 0.6611
118 8 0.3502 0.0278 0.6611
119 11 0.0 0.265 0.5
120 11 0.265 0.0 0.5
121 3 0.3333 0.6667 0.0984
122 4 0.6667 0.3333 0.0814
123 5 0.6667 0.3333 0.2049
124 6 0.234 0.9998 0.3954
125 8 0.3224 0.9722 0.3389
126 9 0.0978 0.9022 0.3738
127 10 0.2521 0.1261 0.3648
128 14 0.506 0.2529 0.9951
129 15 0.513 0.2565 0.2974
130 16 0.837 0.4186 0.1241
131 19 0.4487 0.8974 0.5118
132 6 0.0002 0.2342 0.3954
133 6 0.7658 0.766 0.3954
134 8 0.0278 0.3502 0.3389
135 8 0.6498 0.6776 0.3389
136 9 0.0978 0.1955 0.3738
137 9 0.8045 0.9023 0.3738
138 10 0.8739 0.126 0.3648
139 10 0.874 0.7479 0.3648
140 14 0.7471 0.2531 0.9951
141 14 0.7469 0.494 0.9951
142 15 0.7435 0.2565 0.2974
143 15 0.7435 0.487 0.2974
144 16 0.5814 0.4184 0.1241
145 16 0.5816 0.163 0.1241
146 19 0.1026 0.5513 0.5118
147 19 0.4487 0.5513 0.5118
148 3 0.6667 0.3333 0.5984
149 4 0.3333 0.6667 0.5814
150 5 0.3333 0.6667 0.7049
151 6 0.766 0.0002 0.8954
152 8 0.6776 0.0278 0.8389
153 9 0.9022 0.0978 0.8738
154 10 0.7479 0.8739 0.8648
155 14 0.494 0.7471 0.4951
156 15 0.487 0.7435 0.7974
157 16 0.163 0.5814 0.6241
158 19 0.5513 0.1026 0.0118
159 6 0.9998 0.7658 0.8954
160 6 0.2342 0.234 0.8954
161 8 0.9722 0.6498 0.8389
162 8 0.3502 0.3224 0.8389
163 9 0.9022 0.8045 0.8738
164 9 0.1955 0.0977 0.8738
165 10 0.1261 0.874 0.8648
166 10 0.126 0.2521 0.8648
167 14 0.2529 0.7469 0.4951
168 14 0.2531 0.506 0.4951
169 15 0.2565 0.7435 0.7974
170 15 0.2565 0.513 0.7974
171 16 0.4186 0.5816 0.6241
172 16 0.4184 0.837 0.6241
173 19 0.8974 0.4487 0.0118
174 19 0.5513 0.4487 0.0118
175 6 0.234 0.2342 0.3954
176 8 0.3224 0.3503 0.3389
177 6 0.0002 0.766 0.3954
178 6 0.7658 0.9998 0.3954
179 8 0.0278 0.6776 0.3389
180 8 0.6498 0.9722 0.3389
181 6 0.766 0.7658 0.8954
182 8 0.6776 0.6497 0.8389
183 6 0.9998 0.234 0.8954
184 6 0.2342 0.0002 0.8954
185 8 0.9722 0.3224 0.8389
186 8 0.3502 0.0278 0.8389
X-ray density (g/cm cub.) = 2.04
MU (1/cm) = 78.753 Mass attenuation coefficient (cm**2/g) = 38.537
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 K 3.396 12
2.9228 9
3.376 10
2.9227 9
2.9227 9
3.3759 10
3.376 10
2.9228 9
3.376 10
2.9227 9
2.9227 9
3.3759 10
3.376 10
2 K ,K 3.396 14
3.2759 8
3.119 11
1.1925 19
3.3179 14
3.3205 14
2.6493 16
3.2759 8
3.1192 11
3.3179 14
3.3205 14
2.6493 16
3.2759 8
1.1925 19
3.2759 8
3 Ca ,Ca 3.048 4
2.2885 18
2.3242 14
2.3242 14
2.3242 14
4 Ca ,Na 3.048 12
2.2599 14
2.061 16
2.2599 14
2.2599 14
2.061 16
2.061 16
2.8523 19
2.8523 19
2.8525 19
2.543 15
2.543 15
2.543 15
5 Mg ,Ca 3.048 13
2.2514 15
2.3065 16
2.1961 17
2.2514 15
2.2514 15
2.3065 16
2.3065 16
2.1961 17
2.1961 17
2.1961 17
1.7664 15
1.7664 15
1.7664 15
6 Si ,Al 2.484 4
1.6337 8
1.6462 9
1.6362 10
1.631 11
7 Si ,Al 2.484 4
1.6408 8
1.6334 12
1.6157 13
1.6408 8
8 O 3.432 10
2.6946 9
2.6644 10
2.6288 11
2.6964 12
2.6309 13
3.3891 15
3.3994 17
3.4092 17
2.6852 8
3.1379 16
9 O 3.432 6
2.6946 8
2.6368 10
2.7123 11
2.6367 10
2.6945 8
2.7122 11
10 O 3.432 9
2.6644 8
2.6368 9
2.6982 11
3.166 15
3.1883 17
2.6367 9
2.6644 8
2.6982 11
3.1883 17
11 O 3.432 10
2.6288 8
2.7123 9
2.6982 10
3.3392 19
3.2824 14
3.2811 14
3.3392 19
2.7123 9
2.6982 10
2.6288 8
12 O 3.432 7
2.6964 8
2.6549 13
2.3526 18
2.6546 13
2.6965 8
2.6964 8
2.6965 8
13 O 3.432 9
2.6309 8
2.6549 12
2.8782 18
2.6546 12
3.4057 16
2.6305 8
2.6309 8
3.4057 16
2.6305 8
14 H(2)O,H(2)O 3.6 11
3.1983 14
3.1983 14
2.7238 16
2.7239 16
2.367 19
3.5478 8
3.2826 11
2.3696 19
3.5463 8
3.2812 11
3.1334 15
15 H(2)O,H(2)O 3.6 17
3.3891 8
3.166 10
0.7846 17
3.059 15
3.059 15
3.2146 16
3.216 16
3.4203 17
3.4143 17
3.3891 8
0.7846 17
3.1334 14
1.4311 15
3.3772 15
3.3772 15
2.2122 16
2.2142 16
16 H(2)O,H(2)O 3.6 14
3.4057 13
2.7239 14
2.7238 14
3.216 15
3.2146 15
3.3906 16
3.3906 16
2.7747 17
2.7809 17
1.8319 19
3.1379 8
2.2142 15
2.2122 15
3.136 8
17 H(2)O,H(2)O 3.6 17
3.3994 8
3.1883 10
0.7846 15
3.4143 15
3.4203 15
2.7809 16
2.7747 16
3.4092 8
0.0133 17
3.3994 8
3.1883 10
0.7846 15
3.4143 15
3.4203 15
2.7809 16
2.7747 16
3.4092 8
18 H(2)O,H(2)O 3.6 6
2.3526 12
2.8782 13
2.3528 12
2.3528 12
2.8782 13
2.8784 13
19 H(2)O,H(2)O 3.6 10
3.5021 8
3.3392 11
2.367 14
2.3695 14
1.8319 16
3.5022 8
3.3394 11
3.4702 8
2.3851 19
3.4702 8
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 0 0 3.843 7.686 0.044 442.25 6 129.6 840.3
2 1 0 1 4.832 9.664 0.055 278.88 12 49.0 151.4
3 0 0 2 5.857 11.715 0.066 189.07 2 147.3 154.8
4 1 1 0 6.666 13.333 0.075 145.45 6 107.5 190.1
5 1 0 2 7.013 14.026 0.079 131.21 12 51.7 79.4
6 2 0 0 7.703 15.407 0.087 108.36 6 102.3 128.3
7 2 0 1 8.246 16.493 0.093 94.28 12 73.1 114.0
8 1 1 2 8.892 17.783 0.1 80.78 12 3.9 0.3
9 1 0 3 9.62 19.239 0.108 68.7 12 74.4 86.1
10 2 0 2 9.699 19.398 0.109 67.54 12 105.9 171.4
11 2 1 0 10.214 20.428 0.115 60.69 12 126.8 221.0
12 2 1 1 10.633 21.266 0.12 55.84 24 68.6 118.8
13 3 0 0 11.599 23.199 0.131 46.58 6 166.6 146.3
14 2 0 3 11.74 23.48 0.132 45.42 12 56.6 32.9
15 0 0 4 11.777 23.554 0.132 45.13 2 129.3 28.5
16 2 1 2 11.806 23.611 0.133 44.9 24 125.5 319.9
17 3 0 1 11.972 23.945 0.135 43.6 12 5.5 0.3
18 1 0 4 12.405 24.811 0.139 40.47 12 185.3 314.7
19 3 0 2 13.031 26.063 0.146 36.48 12 39.6 12.9
20 2 2 0 13.425 26.85 0.151 34.25 6 170.0 112.0
21 2 1 3 13.548 27.096 0.152 33.6 24 87.2 115.8
22 1 1 4 13.58 27.161 0.152 33.43 12 51.5 20.0
23 3 1 0 13.984 27.968 0.157 31.41 12 59.5 25.2
24 2 0 4 14.134 28.267 0.159 30.71 12 145.1 146.4
25 3 1 1 14.299 28.598 0.16 29.96 24 52.4 37.2
26 3 0 3 14.638 29.276 0.164 28.5 12 36.7 8.7
27 2 2 2 14.691 29.383 0.165 28.28 12 0.3 0.0
28 3 1 2 15.208 30.415 0.17 26.26 24 38.0 17.2
29 1 0 5 15.295 30.59 0.171 25.94 12 74.2 32.3
30 4 0 0 15.551 31.101 0.174 25.03 6 283.5 227.8
31 2 1 4 15.687 31.373 0.176 24.57 24 203.4 460.1
32 4 0 1 15.837 31.674 0.177 24.07 12 201.3 220.7
33 3 1 3 16.622 33.244 0.186 21.67 24 41.4 16.8
34 3 0 4 16.649 33.298 0.186 21.6 12 27.9 3.8
35 4 0 2 16.67 33.34 0.186 21.54 12 145.4 103.1
36 2 0 5 16.75 33.501 0.187 21.32 12 38.8 7.3
37 3 2 0 16.986 33.973 0.19 20.68 12 1.6 0.0
38 3 2 1 17.252 34.503 0.193 19.99 24 9.6 0.8
39 0 0 6 17.828 35.656 0.199 18.61 2 122.0 10.4
40 4 1 0 17.887 35.773 0.199 18.47 12 143.0 85.4
41 4 0 3 17.982 35.964 0.2 18.26 12 6.3 0.2
42 2 2 4 18.007 36.014 0.201 18.2 12 55.9 12.9
43 3 2 2 18.026 36.053 0.201 18.16 24 91.5 68.8
44 2 1 5 18.102 36.203 0.202 17.99 24 48.5 19.2
45 4 1 1 18.14 36.281 0.202 17.91 24 23.7 4.6
46 1 0 6 18.265 36.529 0.203 17.64 12 24.3 2.4
47 3 1 4 18.44 36.88 0.205 17.28 24 27.0 5.7
48 4 1 2 18.884 37.767 0.21 16.4 24 17.5 2.3
49 3 0 5 18.956 37.912 0.211 16.26 12 23.8 2.1
50 1 1 6 19.113 38.225 0.213 15.96 12 63.5 14.6
51 3 2 3 19.258 38.516 0.214 15.7 24 17.1 2.1
52 2 0 6 19.525 39.05 0.217 15.23 12 14.2 0.7
53 5 0 0 19.579 39.159 0.218 15.13 6 49.6 4.2
54 4 0 4 19.691 39.382 0.219 14.94 12 27.6 2.6
55 5 0 1 19.814 39.629 0.22 14.74 12 45.3 6.9
56 4 1 3 20.07 40.14 0.223 14.32 24 8.3 0.4
57 3 3 0 20.381 40.762 0.226 13.84 6 213.5 71.4
58 5 0 2 20.506 41.012 0.227 13.65 12 42.5 5.6
59 3 1 5 20.573 41.147 0.228 13.55 24 1.6 0.0
60 2 1 6 20.72 41.44 0.23 13.34 24 0.2 0.0
61 4 2 0 20.772 41.544 0.23 13.27 12 31.2 2.9
62 3 2 4 20.878 41.756 0.231 13.12 24 22.4 3.0
63 4 2 1 20.996 41.992 0.233 12.95 24 7.7 0.3
64 3 3 2 21.279 42.557 0.236 12.57 12 92.9 24.5
65 1 0 7 21.31 42.62 0.236 12.53 12 56.2 9.0
66 3 0 6 21.486 42.973 0.238 12.3 12 42.4 5.0
67 5 0 3 21.618 43.236 0.239 12.13 12 55.7 8.5
68 4 1 4 21.64 43.28 0.239 12.1 24 3.4 0.1
69 4 2 2 21.656 43.313 0.24 12.08 24 76.9 32.3
70 4 0 5 21.721 43.442 0.24 12.0 12 15.3 0.6
71 5 1 0 21.911 43.822 0.242 11.77 12 4.4 0.1
72 5 1 1 22.126 44.251 0.244 11.51 24 32.8 5.6
73 2 0 7 22.427 44.854 0.248 11.17 12 16.8 0.7
74 2 2 6 22.596 45.192 0.249 10.98 12 33.9 2.9
75 4 2 3 22.723 45.446 0.251 10.84 24 7.1 0.2
76 5 1 2 22.76 45.52 0.251 10.8 24 65.8 21.2
77 3 2 5 22.822 45.644 0.252 10.74 24 7.9 0.3
78 3 1 6 22.957 45.913 0.253 10.59 24 15.2 1.1
79 5 0 4 23.102 46.205 0.255 10.44 12 127.2 38.3
80 2 1 7 23.502 47.004 0.259 10.05 24 18.7 1.6
81 4 1 5 23.533 47.066 0.259 10.02 24 29.3 3.9
82 6 0 0 23.712 47.423 0.261 9.85 6 34.8 1.3
83 5 1 3 23.787 47.575 0.262 9.77 24 47.8 10.1
84 3 3 4 23.807 47.615 0.262 9.76 12 36.6 3.0
85 6 0 1 23.914 47.827 0.263 9.66 12 1.4 0.0
86 4 0 6 24.013 48.026 0.264 9.57 12 57.2 7.1
87 4 3 0 24.059 48.119 0.265 9.53 12 1.7 0.0
88 0 0 8 24.092 48.185 0.265 9.5 2 508.2 92.5
89 4 2 4 24.154 48.308 0.266 9.44 24 7.8 0.3
90 3 0 7 24.198 48.396 0.266 9.4 12 10.3 0.2
91 4 3 1 24.259 48.518 0.267 9.35 24 17.1 1.2
92 1 0 8 24.436 48.872 0.269 9.2 12 76.1 12.0
93 6 0 2 24.512 49.024 0.269 9.13 12 30.4 1.9
94 5 2 0 24.743 49.487 0.272 8.94 12 88.8 16.0
95 4 3 2 24.851 49.702 0.273 8.85 24 29.5 3.5
96 5 0 5 24.909 49.818 0.273 8.8 12 98.2 19.2
97 5 2 1 24.939 49.878 0.274 8.78 24 6.0 0.1
98 3 2 6 25.035 50.071 0.275 8.7 24 25.2 2.5
99 1 1 8 25.112 50.225 0.275 8.64 12 33.5 2.2
100 5 1 4 25.172 50.344 0.276 8.6 24 85.1 28.2
101 2 0 8 25.446 50.891 0.279 8.39 12 0.6 0.0
102 6 0 3 25.486 50.971 0.279 8.36 12 2.4 0.0
103 5 2 2 25.519 51.039 0.28 8.33 24 3.5 0.0
104 3 1 7 25.547 51.094 0.28 8.31 24 5.4 0.1
105 4 1 6 25.7 51.401 0.281 8.2 24 218.8 177.7
106 4 3 3 25.815 51.631 0.283 8.11 24 21.3 1.7
107 4 2 5 25.905 51.811 0.284 8.05 24 14.6 0.8
108 6 1 0 26.072 52.143 0.285 7.93 12 74.0 9.8
109 6 1 1 26.26 52.52 0.287 7.81 24 14.8 0.8
110 2 1 8 26.427 52.854 0.289 7.69 24 34.7 4.2
111 5 2 3 26.466 52.932 0.289 7.67 24 40.4 5.7
112 4 0 7 26.526 53.052 0.29 7.63 12 109.5 20.7
113 6 0 4 26.806 53.612 0.293 7.45 12 28.2 1.3
114 6 1 2 26.82 53.64 0.293 7.44 24 98.0 32.3
115 5 1 5 26.875 53.75 0.293 7.4 24 31.5 3.3
116 5 0 6 26.995 53.989 0.295 7.33 12 98.6 16.1
117 3 0 8 27.068 54.135 0.295 7.29 12 42.2 2.9
118 4 3 4 27.124 54.248 0.296 7.25 24 6.2 0.1
119 3 2 7 27.48 54.96 0.3 7.04 24 49.6 7.9
120 3 3 6 27.626 55.252 0.301 6.95 12 118.6 22.1
121 1 0 9 27.652 55.304 0.301 6.94 12 54.5 4.7
122 4 4 0 27.668 55.336 0.301 6.93 6 445.5 155.7
123 6 1 3 27.736 55.471 0.302 6.89 24 84.7 22.4
124 5 2 4 27.754 55.507 0.302 6.88 24 45.4 6.4
125 4 2 6 27.938 55.876 0.304 6.78 24 19.8 1.2
126 5 3 0 27.98 55.959 0.305 6.76 12 39.5 2.4
127 7 0 0 27.98 55.959 0.305 6.76 6 0.8 0.0
128 2 2 8 28.009 56.019 0.305 6.74 12 63.2 6.1
129 4 1 7 28.104 56.208 0.306 6.69 24 6.4 0.1
130 5 3 1 28.159 56.319 0.306 6.66 24 9.9 0.3
131 7 0 1 28.159 56.319 0.306 6.66 12 34.3 1.8
132 3 1 8 28.319 56.637 0.308 6.57 24 52.8 8.3
133 4 4 2 28.387 56.774 0.309 6.54 12 1.0 0.0
134 6 0 5 28.44 56.88 0.309 6.51 12 4.1 0.0
135 2 0 9 28.581 57.162 0.311 6.44 12 21.4 0.7
136 5 3 2 28.694 57.388 0.312 6.38 24 8.5 0.2
137 7 0 2 28.694 57.388 0.312 6.38 12 29.2 1.2
138 4 3 5 28.746 57.493 0.312 6.36 24 1.2 0.0
139 5 1 6 28.861 57.722 0.313 6.3 24 12.4 0.4
140 6 2 0 28.902 57.803 0.314 6.28 12 103.6 15.3
141 6 1 4 28.985 57.97 0.315 6.24 24 176.8 88.3
142 6 2 1 29.078 58.155 0.315 6.19 24 108.5 33.0
143 4 0 8 29.234 58.467 0.317 6.12 12 125.7 21.9
144 5 0 7 29.326 58.652 0.318 6.08 12 40.6 2.3
145 5 2 5 29.353 58.705 0.318 6.06 24 40.4 4.5
146 2 1 9 29.491 58.981 0.32 6.0 24 36.0 3.5
147 5 3 3 29.571 59.142 0.32 5.96 24 5.7 0.1
148 7 0 3 29.571 59.142 0.32 5.96 12 22.0 0.7
149 6 2 2 29.601 59.203 0.321 5.95 24 69.8 13.1
150 3 0 9 30.088 60.175 0.325 5.74 12 37.6 1.8
151 3 2 8 30.131 60.262 0.326 5.72 24 22.3 1.3
152 4 2 7 30.222 60.443 0.327 5.68 24 4.7 0.1
153 6 0 6 30.359 60.718 0.328 5.62 12 68.7 6.0
154 7 1 0 30.398 60.797 0.328 5.61 12 60.6 4.7
155 6 2 3 30.462 60.924 0.329 5.58 24 29.3 2.2
156 4 4 4 30.479 60.958 0.329 5.57 12 15.5 0.3
157 6 1 5 30.543 61.086 0.33 5.55 24 96.1 23.2
158 7 1 1 30.569 61.138 0.33 5.54 24 6.5 0.1
159 4 3 6 30.653 61.306 0.331 5.5 24 22.2 1.2
160 0 0 10 30.681 61.362 0.331 5.49 2 48.2 0.5
161 4 1 8 30.72 61.441 0.332 5.48 24 99.0 24.3
162 5 3 4 30.773 61.545 0.332 5.46 24 0.4 0.0
163 7 0 4 30.773 61.545 0.332 5.46 12 44.7 2.5
164 1 0 10 30.974 61.947 0.334 5.38 12 51.9 3.3
165 7 1 2 31.078 62.155 0.335 5.34 24 9.4 0.2
166 5 1 7 31.102 62.203 0.335 5.33 24 4.7 0.1
167 5 2 6 31.237 62.474 0.337 5.28 24 6.5 0.1
168 3 1 9 31.261 62.522 0.337 5.27 24 9.7 0.2
169 1 1 10 31.554 63.108 0.34 5.16 12 18.2 0.4
170 5 4 0 31.565 63.13 0.34 5.16 12 99.4 11.5
171 6 2 4 31.644 63.288 0.341 5.13 24 87.3 17.7
172 5 4 1 31.732 63.464 0.341 5.1 24 16.4 0.6
173 2 0 10 31.842 63.683 0.342 5.06 12 122.3 17.1
174 5 0 8 31.88 63.76 0.343 5.05 12 31.7 1.2
175 7 1 3 31.915 63.83 0.343 5.04 24 1.4 0.0
176 4 0 9 32.124 64.249 0.345 4.96 12 130.8 19.2
177 6 3 0 32.139 64.278 0.345 4.96 12 21.9 0.5
178 5 4 2 32.23 64.46 0.346 4.93 24 16.6 0.6
179 5 3 5 32.279 64.558 0.347 4.91 24 39.8 3.5
180 7 0 5 32.279 64.558 0.347 4.91 12 22.6 0.6
181 6 3 1 32.304 64.609 0.347 4.9 24 10.0 0.2
182 6 1 6 32.386 64.772 0.348 4.88 24 6.9 0.1
183 8 0 0 32.424 64.848 0.348 4.87 6 200.4 22.1
184 3 3 8 32.451 64.902 0.348 4.86 12 36.4 1.5
185 6 0 7 32.538 65.076 0.349 4.83 12 15.7 0.3
186 8 0 1 32.589 65.177 0.35 4.81 12 94.8 9.8
187 2 1 10 32.697 65.394 0.351 4.78 24 129.5 36.3
188 4 2 8 32.735 65.469 0.351 4.77 24 18.0 0.7
189 6 3 2 32.798 65.595 0.352 4.75 24 27.6 1.6
190 4 3 7 32.821 65.642 0.352 4.74 24 15.3 0.5
191 3 2 9 32.976 65.952 0.353 4.69 24 0.4 0.0
192 5 4 3 33.051 66.102 0.354 4.67 24 34.8 2.6
193 7 1 4 33.067 66.134 0.354 4.66 24 42.7 3.9
194 8 0 2 33.08 66.16 0.354 4.66 12 106.1 11.9
195 6 2 5 33.128 66.256 0.355 4.65 24 15.7 0.5
196 3 0 10 33.261 66.521 0.356 4.61 12 7.7 0.1
197 7 2 0 33.271 66.542 0.356 4.6 12 43.0 1.9
198 5 2 7 33.384 66.767 0.357 4.57 24 0.3 0.0
199 7 2 1 33.434 66.867 0.358 4.56 24 32.1 2.1
200 4 1 9 33.537 67.074 0.359 4.53 24 3.9 0.0
201 5 1 8 33.578 67.156 0.359 4.52 24 1.3 0.0
202 6 3 3 33.612 67.223 0.359 4.51 24 10.0 0.2
203 4 4 6 33.793 67.586 0.361 4.46 12 212.3 45.4
204 8 0 3 33.89 67.781 0.362 4.43 12 64.6 4.2
205 7 2 2 33.919 67.837 0.362 4.42 24 61.0 7.4
206 5 3 6 34.071 68.141 0.364 4.38 24 51.0 5.1
207 7 0 6 34.071 68.141 0.364 4.38 12 35.6 1.3
208 2 2 10 34.097 68.194 0.364 4.37 12 23.7 0.6
209 5 4 4 34.184 68.367 0.365 4.35 24 140.3 38.8
210 3 1 10 34.374 68.748 0.366 4.3 24 36.5 2.6
211 1 0 11 34.421 68.843 0.367 4.29 12 63.6 3.9
212 6 1 7 34.495 68.99 0.368 4.27 24 22.9 1.0
213 7 1 5 34.52 69.039 0.368 4.26 24 8.8 0.1
214 5 0 9 34.646 69.292 0.369 4.23 12 26.6 0.7
215 7 2 3 34.72 69.439 0.37 4.21 24 39.0 2.9
216 6 3 4 34.735 69.471 0.37 4.21 24 33.0 2.1
217 6 2 6 34.898 69.796 0.371 4.17 24 9.7 0.2
218 8 1 0 34.935 69.869 0.372 4.16 12 98.7 9.2
219 6 0 8 34.961 69.922 0.372 4.15 12 109.9 11.4
220 8 0 4 35.01 70.019 0.372 4.14 12 91.9 7.9
221 8 1 1 35.093 70.187 0.373 4.12 24 48.5 4.4
222 4 0 10 35.198 70.396 0.374 4.1 12 246.5 56.3
223 4 3 8 35.234 70.469 0.374 4.09 24 37.7 2.6
224 2 0 11 35.245 70.49 0.375 4.09 12 33.9 1.1
225 4 2 9 35.467 70.934 0.377 4.04 24 16.9 0.5
226 5 5 0 35.481 70.962 0.377 4.03 6 86.6 3.4
227 8 1 2 35.568 71.135 0.378 4.01 24 9.2 0.2
228 5 4 5 35.614 71.229 0.378 4.0 24 60.9 6.7
229 6 4 0 35.753 71.506 0.379 3.97 12 43.5 1.7
230 5 2 8 35.779 71.557 0.38 3.97 24 47.2 4.0
231 7 2 4 35.827 71.654 0.38 3.96 24 97.4 17.0
232 6 4 1 35.91 71.82 0.381 3.94 24 27.2 1.3
233 3 2 10 36.013 72.027 0.382 3.92 24 112.7 22.5
234 2 1 11 36.06 72.12 0.382 3.91 24 65.5 7.6
235 5 5 2 36.11 72.22 0.383 3.9 12 18.4 0.3
236 5 3 7 36.132 72.265 0.383 3.89 24 56.3 5.6
237 7 0 7 36.132 72.265 0.383 3.89 12 29.7 0.8
238 6 3 5 36.156 72.313 0.383 3.89 24 6.0 0.1
239 7 1 6 36.258 72.516 0.384 3.87 24 71.9 9.0
240 5 1 9 36.28 72.56 0.384 3.86 24 9.0 0.1
241 8 1 3 36.352 72.705 0.385 3.85 24 54.8 5.2
242 6 4 2 36.38 72.759 0.385 3.84 24 21.8 0.8
243 8 0 5 36.426 72.852 0.385 3.83 12 93.2 7.5
244 4 1 10 36.553 73.106 0.387 3.81 24 68.6 8.1
245 7 3 0 36.563 73.126 0.387 3.8 12 81.0 5.6
246 3 0 11 36.599 73.198 0.387 3.8 12 1.0 0.0
247 7 3 1 36.719 73.438 0.388 3.77 24 45.2 3.5
248 6 1 8 36.857 73.715 0.389 3.75 24 7.1 0.1
249 6 2 7 36.939 73.879 0.39 3.73 24 26.7 1.2
250 9 0 0 37.1 74.199 0.392 3.7 6 336.2 47.4
251 6 4 3 37.158 74.315 0.392 3.69 24 18.4 0.6
252 7 3 2 37.185 74.37 0.392 3.69 24 82.7 11.4
253 7 2 5 37.231 74.461 0.393 3.68 24 38.0 2.4
254 9 0 1 37.255 74.509 0.393 3.67 12 15.3 0.2
255 5 4 6 37.331 74.662 0.394 3.66 24 76.1 9.6
256 8 1 4 37.44 74.88 0.395 3.64 24 140.6 32.6
257 6 0 9 37.62 75.239 0.396 3.61 12 2.2 0.0
258 5 0 10 37.623 75.246 0.396 3.61 12 108.1 9.5
259 3 1 11 37.669 75.338 0.397 3.6 24 41.1 2.8
260 9 0 2 37.718 75.436 0.397 3.59 12 77.5 4.9
261 0 0 12 37.757 75.514 0.397 3.58 2 197.2 5.3
262 6 3 6 37.864 75.727 0.398 3.57 24 28.8 1.3
263 4 3 9 37.886 75.771 0.399 3.56 24 11.8 0.2
264 8 2 0 37.899 75.798 0.399 3.56 12 93.5 7.0
265 7 3 3 37.957 75.913 0.399 3.55 24 87.5 12.3
266 5 5 4 37.972 75.943 0.399 3.55 12 27.7 0.6
267 1 0 12 38.022 76.045 0.4 3.54 12 44.8 1.6
268 8 2 1 38.053 76.106 0.4 3.54 24 16.3 0.4
269 8 0 6 38.129 76.258 0.401 3.52 12 7.1 0.0
270 3 3 10 38.154 76.308 0.401 3.52 12 128.0 13.0
271 4 4 8 38.19 76.379 0.401 3.51 12 271.7 58.7
272 6 4 4 38.237 76.473 0.402 3.51 24 41.6 2.7
273 7 1 7 38.27 76.541 0.402 3.5 24 0.1 0.0
274 5 2 9 38.415 76.831 0.403 3.48 24 13.7 0.3
275 4 2 10 38.419 76.837 0.403 3.48 24 117.3 21.7
276 5 3 8 38.454 76.908 0.404 3.47 24 42.9 2.9
277 7 0 8 38.454 76.908 0.404 3.47 12 42.1 1.4
278 4 0 11 38.464 76.928 0.404 3.47 12 51.1 2.1
279 9 0 3 38.486 76.972 0.404 3.47 12 8.9 0.1
280 8 2 2 38.513 77.026 0.404 3.46 24 8.9 0.1
281 1 1 12 38.552 77.103 0.405 3.46 12 48.8 1.9
282 2 0 12 38.815 77.631 0.407 3.42 12 37.5 1.1
283 8 1 5 38.822 77.644 0.407 3.42 24 58.6 5.3
284 7 2 6 38.921 77.842 0.408 3.4 24 19.5 0.6
285 7 3 4 39.028 78.057 0.409 3.39 24 204.0 63.8
286 5 1 10 39.209 78.418 0.41 3.36 24 53.1 4.3
287 6 2 8 39.244 78.489 0.411 3.35 24 31.2 1.5
288 3 2 11 39.254 78.509 0.411 3.35 24 35.0 1.9
289 8 2 3 39.276 78.552 0.411 3.35 24 38.9 2.3
290 5 4 7 39.325 78.649 0.411 3.34 24 50.5 3.9
291 6 1 9 39.468 78.937 0.413 3.32 24 2.5 0.0
292 9 0 4 39.554 79.107 0.413 3.31 12 101.1 7.7
293 2 1 12 39.604 79.207 0.414 3.31 24 55.3 4.6
294 6 4 5 39.61 79.221 0.414 3.31 24 37.8 2.1
295 6 5 0 39.744 79.487 0.415 3.29 12 41.2 1.3
296 9 1 0 39.744 79.487 0.415 3.29 12 29.9 0.7
297 4 1 11 39.779 79.558 0.415 3.28 24 8.1 0.1
298 6 3 7 39.849 79.697 0.416 3.27 24 9.0 0.1
299 6 5 1 39.895 79.791 0.416 3.27 24 29.4 1.3
300 9 1 1 39.895 79.791 0.416 3.27 24 20.7 0.6
301 8 0 7 40.11 80.22 0.418 3.24 12 153.1 17.2
302 3 0 12 40.127 80.254 0.418 3.24 12 129.6 12.3
303 7 4 0 40.266 80.533 0.42 3.22 12 8.0 0.0
304 8 2 4 40.338 80.676 0.42 3.21 24 32.7 1.6
305 6 5 2 40.349 80.699 0.42 3.21 24 68.2 6.8
306 9 1 2 40.349 80.699 0.42 3.21 24 29.3 1.3
307 7 3 5 40.394 80.789 0.421 3.21 24 117.6 20.1
308 7 4 1 40.418 80.835 0.421 3.2 24 9.4 0.1
309 8 1 6 40.492 80.985 0.421 3.2 24 44.7 2.9
310 6 0 10 40.517 81.034 0.422 3.19 12 41.4 1.2
311 7 1 8 40.552 81.104 0.422 3.19 24 42.7 2.6
312 4 3 10 40.778 81.555 0.424 3.16 24 4.7 0.0
313 5 0 11 40.822 81.645 0.424 3.16 12 14.0 0.1
314 7 4 2 40.87 81.741 0.425 3.15 24 13.3 0.3
315 7 2 7 40.892 81.784 0.425 3.15 24 25.1 0.9
316 2 2 12 40.908 81.817 0.425 3.15 12 30.0 0.6
317 9 0 5 40.915 81.83 0.425 3.15 12 11.2 0.1
318 5 5 6 41.013 82.025 0.426 3.14 12 69.6 3.4
319 5 3 9 41.034 82.069 0.426 3.13 24 40.4 2.3
320 7 0 9 41.034 82.069 0.426 3.13 12 6.2 0.0
321 6 5 3 41.104 82.207 0.427 3.13 24 32.3 1.5
322 9 1 3 41.104 82.207 0.427 3.13 24 8.7 0.1
323 3 1 12 41.168 82.337 0.427 3.12 24 1.4 0.0
324 6 4 6 41.272 82.545 0.428 3.11 24 3.2 0.0
325 5 2 10 41.297 82.595 0.428 3.11 24 5.4 0.0
326 8 3 0 41.307 82.614 0.428 3.11 12 49.4 1.7
327 8 3 1 41.458 82.915 0.43 3.09 24 68.7 6.6
328 5 4 8 41.591 83.183 0.431 3.08 24 40.3 2.3
329 4 2 11 41.601 83.203 0.431 3.08 24 5.8 0.0
330 7 4 3 41.623 83.245 0.431 3.07 24 22.2 0.7
331 8 2 5 41.694 83.387 0.432 3.07 24 45.0 2.8
332 6 2 9 41.812 83.625 0.433 3.06 24 63.1 5.5
333 1 0 13 41.814 83.628 0.433 3.06 12 77.2 4.1
334 8 3 2 41.908 83.816 0.434 3.05 24 3.1 0.0
335 4 0 12 41.946 83.892 0.434 3.04 12 62.8 2.7
336 7 3 6 42.05 84.1 0.435 3.03 24 17.4 0.4
337 10 0 0 42.084 84.169 0.435 3.03 6 17.1 0.1
338 6 3 8 42.109 84.218 0.435 3.03 24 64.0 5.6
339 6 5 4 42.155 84.311 0.436 3.02 24 87.1 10.4
340 9 1 4 42.155 84.311 0.436 3.02 24 15.4 0.3
341 10 0 1 42.234 84.469 0.436 3.02 12 6.4 0.0
342 6 1 10 42.333 84.666 0.437 3.01 24 135.1 24.8
343 8 0 8 42.368 84.736 0.437 3.01 12 109.7 8.2
344 5 1 11 42.378 84.755 0.438 3.0 24 35.8 1.7
345 8 1 7 42.447 84.894 0.438 3.0 24 75.4 7.7
346 9 0 6 42.567 85.134 0.439 2.99 12 187.5 23.8
347 2 0 13 42.59 85.18 0.439 2.99 12 26.6 0.5
348 8 3 3 42.657 85.315 0.44 2.98 24 11.4 0.2
349 7 4 4 42.672 85.344 0.44 2.98 24 74.8 7.6
350 10 0 2 42.684 85.367 0.44 2.98 12 10.4 0.1
351 3 2 12 42.722 85.443 0.44 2.98 24 14.0 0.3
352 9 2 0 42.86 85.719 0.442 2.96 12 38.2 1.0
353 9 2 1 43.009 86.018 0.443 2.95 24 33.3 1.5
354 7 1 9 43.105 86.209 0.444 2.95 24 5.0 0.0
355 7 2 8 43.142 86.285 0.444 2.94 24 17.4 0.4
356 6 4 7 43.221 86.442 0.445 2.94 24 52.2 3.6
357 4 1 12 43.238 86.475 0.445 2.94 24 44.8 2.7
358 8 2 6 43.341 86.682 0.446 2.93 24 4.2 0.0
359 2 1 13 43.364 86.728 0.446 2.93 24 14.5 0.3
360 10 0 3 43.431 86.863 0.446 2.92 12 4.2 0.0
361 9 2 2 43.458 86.915 0.446 2.92 24 57.7 4.4
362 6 5 5 43.502 87.004 0.447 2.92 24 3.6 0.0
363 9 1 5 43.502 87.004 0.447 2.92 24 22.7 0.7
364 4 4 10 43.623 87.247 0.448 2.91 12 138.3 12.6
365 6 0 11 43.668 87.335 0.448 2.91 12 5.6 0.0
366 8 3 4 43.704 87.408 0.448 2.9 24 62.5 5.1
367 3 0 13 43.879 87.759 0.45 2.89 12 0.1 0.0
368 5 3 10 43.881 87.762 0.45 2.89 24 30.7 1.2
369 7 0 10 43.881 87.762 0.45 2.89 12 9.3 0.1
370 4 3 11 43.925 87.851 0.45 2.89 24 49.1 3.2
371 7 3 7 43.994 87.988 0.451 2.88 24 20.8 0.6
372 7 4 5 44.017 88.034 0.451 2.88 24 30.8 1.2
373 5 4 9 44.135 88.271 0.452 2.88 24 45.9 2.7
374 6 6 0 44.148 88.297 0.452 2.88 6 12.2 0.0
375 9 2 3 44.204 88.408 0.453 2.87 24 46.0 2.8
376 5 0 12 44.268 88.536 0.453 2.87 12 17.8 0.2
377 7 5 0 44.406 88.812 0.454 2.86 12 30.5 0.6
378 5 2 11 44.44 88.881 0.454 2.86 24 16.4 0.3
379 10 0 4 44.476 88.953 0.455 2.86 12 10.3 0.1
380 9 0 7 44.509 89.018 0.455 2.85 12 12.9 0.1
381 7 5 1 44.555 89.11 0.455 2.85 24 30.7 1.2
382 6 3 9 44.65 89.3 0.456 2.85 24 10.1 0.1
383 6 2 10 44.653 89.307 0.456 2.85 24 106.8 14.7
384 8 1 8 44.688 89.376 0.456 2.84 24 54.2 3.8
385 6 6 2 44.745 89.49 0.457 2.84 12 29.9 0.6
386 3 3 12 44.783 89.566 0.457 2.84 12 24.2 0.4
387 8 0 9 44.908 89.815 0.458 2.83 12 96.0 5.9
388 3 1 13 44.909 89.818 0.458 2.83 24 33.9 1.5
389 10 1 0 44.921 89.841 0.458 2.83 12 43.1 1.2
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 0 0 3.843 7.686 11.49285 840.3 100.0 100.0 5.6
2 1 0 1 4.832 9.664 9.14432 151.4 18.0 18.0 5.6
3 0 0 2 5.857 11.715 7.5479 154.8 18.4 18.4 5.6
4 1 1 0 6.666 13.333 6.6354 190.1 22.6 22.5 5.6
5 1 0 2 7.013 14.026 6.30897 79.4 9.4 9.4 5.6
6 2 0 0 7.703 15.407 5.74642 128.3 15.3 15.2 5.6
7 2 0 1 8.246 16.493 5.37048 114.0 13.6 13.5 5.6
8 1 0 3 9.62 19.239 4.60948 86.1 10.2 10.2 5.6
9 2 0 2 9.699 19.398 4.57216 171.4 20.4 20.3 5.6
10 2 1 0 10.214 20.428 4.34389 221.0 26.3 26.1 5.6
11 2 1 1 10.633 21.266 4.1745 118.8 14.1 14.0 5.6
12 3 0 0 11.599 23.199 3.83095 146.3 17.4 17.2 5.6
13 2 0 3 11.74 23.48 3.78567 32.9 3.9 3.9 5.6
14 0 0 4 11.777 23.554 3.77395 28.5 3.4 3.4 5.6
15 2 1 2 11.806 23.611 3.76492 319.9 38.1 37.7 5.6
16 1 0 4 12.405 24.811 3.58558 314.7 37.4 37.0 5.6
17 3 0 2 13.031 26.063 3.41612 12.9 1.5 1.5 5.6
18 2 2 0 13.425 26.85 3.3177 112.0 13.3 13.2 5.6
19 2 1 3 13.548 27.096 3.28816 115.8 13.8 13.6 5.6
20 1 1 4 13.58 27.161 3.28047 20.0 2.4 2.4 5.6
21 3 1 0 13.984 27.968 3.18754 25.2 3.0 3.0 5.6
22 2 0 4 14.134 28.267 3.15448 146.4 17.4 17.2 5.6
23 3 1 1 14.299 28.598 3.11877 37.2 4.4 4.4 5.6
24 3 0 3 14.638 29.276 3.04811 8.7 1.0 1.0 5.6
25 3 1 2 15.208 30.415 2.93643 17.2 2.0 2.0 5.6
26 1 0 5 15.295 30.59 2.92008 32.3 3.8 3.8 5.6
27 4 0 0 15.551 31.101 2.87321 227.8 27.1 26.7 5.6
28 2 1 4 15.687 31.373 2.84893 460.1 54.8 53.9 5.6
29 4 0 1 15.837 31.674 2.82254 220.7 26.3 25.8 5.6
30 3 1 3 16.622 33.244 2.69274 20.6 2.4 2.4 5.6
31 4 0 2 16.67 33.34 2.68524 103.1 12.3 12.1 5.7
32 0 0 6 17.828 35.656 2.51597 10.4 1.2 1.2 5.7
33 4 1 0 17.887 35.773 2.50795 85.4 10.2 10.0 5.7
34 3 2 2 18.026 36.053 2.48914 81.7 9.7 9.5 5.7
35 2 1 5 18.102 36.203 2.47916 19.2 2.3 2.2 5.7
36 1 1 6 19.113 38.225 2.35253 14.6 1.7 1.7 5.7
37 3 3 0 20.381 40.762 2.2118 71.4 8.5 8.3 5.7
38 3 3 2 21.279 42.557 2.12255 24.5 2.9 2.8 5.7
39 1 0 7 21.31 42.62 2.11955 9.0 1.1 1.0 5.7
40 5 0 3 21.618 43.236 2.09076 8.6 1.0 1.0 5.7
41 4 2 2 21.656 43.313 2.08725 32.3 3.8 3.7 5.7
42 5 1 2 22.76 45.52 1.99106 21.2 2.5 2.4 5.7
43 5 0 4 23.102 46.205 1.96312 38.3 4.6 4.4 5.7
44 5 1 3 23.787 47.575 1.90974 13.1 1.6 1.5 5.7
45 0 0 8 24.092 48.185 1.88698 92.5 11.0 10.7 5.7
46 1 0 8 24.436 48.872 1.86204 12.0 1.4 1.4 5.7
47 5 2 0 24.743 49.487 1.84033 16.0 1.9 1.8 5.7
48 5 0 5 24.909 49.818 1.82886 19.2 2.3 2.2 5.7
49 5 1 4 25.172 50.344 1.81099 28.2 3.4 3.2 5.8
50 4 1 6 25.7 51.401 1.77621 177.7 21.1 20.4 5.8
51 6 1 0 26.072 52.143 1.75264 9.8 1.2 1.1 5.8
52 4 0 7 26.526 53.052 1.72476 20.7 2.5 2.4 5.8
53 6 1 2 26.82 53.64 1.70722 33.7 4.0 3.9 5.8
54 5 0 6 26.995 53.989 1.697 16.1 1.9 1.8 5.8
55 3 3 6 27.626 55.252 1.66116 26.8 3.2 3.1 5.8
56 4 4 0 27.668 55.336 1.65885 155.7 18.5 17.8 5.8
57 6 1 3 27.736 55.471 1.65512 28.8 3.4 3.3 5.8
58 6 2 0 28.902 57.803 1.59377 15.3 1.8 1.7 5.8
59 6 1 4 28.985 57.97 1.58959 88.3 10.5 10.0 5.8
60 6 2 1 29.078 58.155 1.58496 33.0 3.9 3.7 5.8
61 4 0 8 29.234 58.467 1.57724 21.9 2.6 2.5 5.8
62 6 2 2 29.601 59.203 1.55939 13.1 1.6 1.5 5.8
63 6 1 5 30.543 61.086 1.51576 23.3 2.8 2.6 5.8
64 4 1 8 30.72 61.441 1.50784 24.3 2.9 2.8 5.8
65 5 4 0 31.565 63.13 1.47151 11.5 1.4 1.3 5.9
66 6 2 4 31.644 63.288 1.46822 17.7 2.1 2.0 5.9
67 2 0 10 31.842 63.683 1.46004 17.1 2.0 1.9 5.9
68 4 0 9 32.124 64.249 1.44855 19.8 2.4 2.2 5.9
69 8 0 0 32.424 64.848 1.43661 23.6 2.8 2.7 5.9
70 8 0 1 32.589 65.177 1.43014 9.8 1.2 1.1 5.9
71 2 1 10 32.697 65.394 1.42593 36.3 4.3 4.1 5.9
72 8 0 2 33.08 66.16 1.41127 18.3 2.2 2.1 5.9
73 4 4 6 33.793 67.586 1.38492 45.4 5.4 5.1 5.9
74 7 2 2 33.919 67.837 1.38039 11.6 1.4 1.3 5.9
75 5 4 4 34.184 68.367 1.37098 38.8 4.6 4.3 5.9
76 6 0 8 34.961 69.922 1.34426 20.5 2.4 2.3 5.9
77 4 0 10 35.198 70.396 1.33636 56.3 6.7 6.3 5.9
78 7 2 4 35.827 71.654 1.31595 17.0 2.0 1.9 5.9
79 3 2 10 36.013 72.027 1.31006 22.5 2.7 2.5 5.9
80 7 1 6 36.258 72.516 1.30243 9.2 1.1 1.0 5.9
81 4 1 10 36.553 73.106 1.29336 13.8 1.6 1.5 6.0
82 9 0 0 37.1 74.199 1.27698 47.4 5.6 5.2 6.0
83 7 3 2 37.185 74.37 1.27448 11.4 1.4 1.3 6.0
84 5 4 6 37.331 74.662 1.27021 9.6 1.1 1.1 6.0
85 8 1 4 37.44 74.88 1.26706 32.6 3.9 3.6 6.0
86 5 0 10 37.623 75.246 1.26179 9.5 1.1 1.1 6.0
87 7 3 3 37.957 75.913 1.25236 12.9 1.5 1.4 6.0
88 3 3 10 38.154 76.308 1.24685 13.0 1.6 1.4 6.0
89 4 4 8 38.19 76.379 1.24587 58.7 7.0 6.5 6.0
90 4 2 10 38.419 76.837 1.23958 21.7 2.6 2.4 6.0
91 7 3 4 39.028 78.057 1.22324 63.8 7.6 7.0 6.0
92 8 0 7 40.11 80.22 1.19561 29.5 3.5 3.2 6.0
93 6 5 2 40.349 80.699 1.18972 9.6 1.1 1.0 6.1
94 7 3 5 40.394 80.789 1.18862 20.2 2.4 2.2 6.1
95 6 2 9 41.812 83.625 1.15537 9.6 1.1 1.0 6.1
96 6 5 4 42.155 84.311 1.14771 10.7 1.3 1.2 6.1
97 6 1 10 42.333 84.666 1.1438 24.8 3.0 2.7 6.1
98 8 0 8 42.368 84.736 1.14304 9.9 1.2 1.1 6.1
99 9 0 6 42.567 85.134 1.13871 24.3 2.9 2.6 6.1
100 4 4 10 43.623 87.247 1.11648 12.6 1.5 1.4 6.2
101 6 2 10 44.653 89.307 1.09599 14.7 1.7 1.6 6.2
102 8 0 9 44.908 89.815 1.0911 8.6 1.0 0.9 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)
|