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 ***
***********************
PARABERZELIITE
1, s-berzeliite
NaCa(2)Mg(2)[AsO(4)](3)
Monoclinic C 2/c Z = 4
R =0.0349 NR =1506
2 .8 .24
Ref.Str.:
Pekov I.V., Zubkova N.V., Koshlyakova N.N., Agakhanov A.A., Vigasina M.F.,
Belakovskiy D.I., Sidorov E.G., Britvin S.N., Pushcharovsky D.Y. (2022)
* Mineral. Mag., 86, 103-111, doi:10.1180/mgm.2021.82
L: $Na1.20 Ca1.71 Mg1.66 Mn0.13 Fe3+0.18 As2.98 V0.07 O12$
R: Locality - Great Tolbachik Fissure Eruption, Tolbachik volcano,
Kamchatka, Russia. IMA2018-001. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 12.3143 alpha = 90.0
b = 13.0679 beta = 113.66
c = 6.7717 gamma = 90.0
Unit cell volume (cub. angs.) = 998.14
Molar volume ( cub.cm/mol.) = 150.3
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.0 0.0 Ca = 0.6 , Na = 0.4
2 0.0 0.9753 0.25 0.0 Na = 0.81, Ca = 0.19
3 0.0 0.2652 0.25 0.0 Ca = 1.00
4 0.2779 0.6579 0.3652 0.0 Mg = 0.77, Mn = 0.12, Fe = 0.1
5 0.0 0.721 0.25 0.0 As = 1.00
6 0.2352 0.8938 0.1292 0.0 As = 1.00
7 0.4533 0.7033 0.5315 0.0 O = 1.00
8 0.0989 0.6388 0.2247 0.0 O = 1.00
9 0.33 0.6665 0.1089 0.0 O = 1.00
10 0.1201 0.4129 0.3117 0.0 O = 1.00
11 0.2278 0.8219 0.3302 0.0 O = 1.00
12 0.3378 0.5053 0.3925 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.0
2 2 0.0 0.9753 0.25
3 3 0.0 0.2652 0.25
4 4 0.2779 0.6579 0.3652
5 5 0.0 0.721 0.25
6 6 0.2352 0.8938 0.1292
7 7 0.4533 0.7033 0.5315
8 8 0.0989 0.6388 0.2247
9 9 0.33 0.6665 0.1089
10 10 0.1201 0.4129 0.3117
11 11 0.2278 0.8219 0.3302
12 12 0.3378 0.5053 0.3925
13 2 0.0 0.0247 0.75
14 3 0.0 0.7348 0.75
15 4 0.7221 0.3421 0.6348
16 5 0.0 0.279 0.75
17 6 0.7648 0.1062 0.8708
18 7 0.5467 0.2967 0.4685
19 8 0.9011 0.3612 0.7753
20 9 0.67 0.3335 0.8911
21 10 0.8799 0.5871 0.6883
22 11 0.7722 0.1781 0.6698
23 12 0.6622 0.4947 0.6075
24 1 0.5 0.0 0.5
25 4 0.2779 0.3421 0.8652
26 6 0.2352 0.1062 0.6292
27 7 0.4533 0.2967 0.0315
28 8 0.0989 0.3612 0.7247
29 9 0.33 0.3335 0.6089
30 10 0.1201 0.5871 0.8117
31 11 0.2278 0.1781 0.8302
32 12 0.3378 0.4947 0.8925
33 4 0.7221 0.6579 0.1348
34 6 0.7648 0.8938 0.3708
35 7 0.5467 0.7033 0.9685
36 8 0.9011 0.6388 0.2753
37 9 0.67 0.6665 0.3911
38 10 0.8799 0.4129 0.1883
39 11 0.7722 0.8219 0.1698
40 12 0.6622 0.5053 0.1075
41 1 0.0 0.5 0.5
42 2 0.5 0.5247 0.75
43 3 0.5 0.2348 0.75
44 4 0.7779 0.8421 0.8652
45 5 0.5 0.779 0.75
46 6 0.7352 0.6062 0.6292
47 7 0.9533 0.7967 0.0315
48 8 0.5989 0.8612 0.7247
49 9 0.83 0.8335 0.6089
50 10 0.6201 0.0871 0.8117
51 11 0.7278 0.6781 0.8302
52 12 0.8378 0.9947 0.8925
53 2 0.5 0.4753 0.25
54 3 0.5 0.7652 0.25
55 4 0.2221 0.1579 0.1348
56 5 0.5 0.221 0.25
57 6 0.2648 0.3938 0.3708
58 7 0.0467 0.2033 0.9685
59 8 0.4011 0.1388 0.2753
60 9 0.17 0.1665 0.3911
61 10 0.3799 0.9129 0.1883
62 11 0.2722 0.3219 0.1698
63 12 0.1622 0.0053 0.1075
64 1 0.0 0.5 0.0
65 4 0.7779 0.1579 0.3652
66 6 0.7352 0.3938 0.1292
67 7 0.9533 0.2033 0.5315
68 8 0.5989 0.1388 0.2247
69 9 0.83 0.1665 0.1089
70 10 0.6201 0.9129 0.3117
71 11 0.7278 0.3219 0.3302
72 12 0.8378 0.0053 0.3925
73 4 0.2221 0.8421 0.6348
74 6 0.2648 0.6062 0.8708
75 7 0.0467 0.7967 0.4685
76 8 0.4011 0.8612 0.7753
77 9 0.17 0.8335 0.8911
78 10 0.3799 0.0871 0.6883
79 11 0.2722 0.6781 0.6698
80 12 0.1622 0.9947 0.6075
X-ray density (g/cm cub.) = 3.85
MU (1/cm) = 280.977 Mass attenuation coefficient (cm**2/g) = 72.961
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na 2.88 6
2.5734 10
2.5734 10
2.3667 8
2.3308 10
2.3667 8
2.3308 10
2 Na ,Ca 2.88 6
2.6988 7
2.4564 12
2.5732 12
2.5732 12
2.6988 7
2.4564 12
3 Ca 2.88 6
2.3644 10
2.3644 10
2.345 7
2.3143 9
2.345 7
2.3143 9
4 Mg ,Mn ,Fe 2.724 6
2.0818 7
2.0353 8
2.0812 9
2.2157 11
2.1087 12
2.1081 11
5 As 2.46 4
1.6832 8
1.6832 8
1.6782 7
1.6782 7
6 As 2.46 4
1.686 11
1.6806 10
1.6881 12
1.6809 9
7 O 3.264 9
2.6907 9
2.9888 11
2.9203 12
2.7108 7
3.2082 9
2.7021 8
3.1841 11
2.872 8
2.7631 11
8 O 3.264 9
3.2612 9
3.0011 10
2.8007 11
3.2103 12
2.9887 10
2.5923 8
2.7021 7
2.872 7
2.9565 11
9 O 3.264 9
2.6907 7
3.2612 8
3.0771 11
2.8254 12
2.7626 10
2.7034 12
3.2082 7
2.9144 9
2.77 11
10 O 3.264 6
3.0011 8
2.7871 12
2.9887 8
2.7626 9
2.732 10
2.7001 11
11 O 3.264 11
2.9888 7
2.8007 8
3.0771 9
3.1841 7
2.7001 10
2.7741 12
2.7631 7
2.9565 8
2.77 9
2.8474 11
3.2396 12
12 O 3.264 7
2.9203 7
3.2103 8
2.8254 9
2.7871 10
2.7034 9
2.7741 11
3.2396 11
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 5.176 10.352 0.059 242.78 4 18.2 32.4
2 0 2 0 6.77 13.541 0.077 140.95 2 108.6 333.7
3 1 1 -1 7.437 14.874 0.084 116.42 4 21.2 21.1
4 2 0 0 7.85 15.7 0.089 104.27 2 82.8 143.4
5 0 2 1 9.859 19.719 0.111 65.29 4 81.1 172.5
6 1 1 1 10.036 20.071 0.113 62.95 4 111.6 315.0
7 2 2 0 10.394 20.789 0.117 58.53 4 107.5 271.6
8 2 2 -1 10.683 21.366 0.12 55.3 4 123.0 335.7
9 1 3 0 10.927 21.854 0.123 52.76 4 31.0 20.3
10 3 1 -1 11.603 23.205 0.131 46.56 4 129.5 313.4
11 1 3 -1 12.185 24.37 0.137 42.02 4 181.9 558.2
12 3 1 0 12.309 24.618 0.138 41.13 4 154.5 394.3
13 2 0 -2 13.325 26.65 0.15 34.8 2 70.7 34.9
14 0 4 0 13.637 27.275 0.153 33.13 2 77.0 39.4
15 1 1 -2 13.715 27.43 0.154 32.74 4 234.4 722.2
16 1 3 1 13.955 27.911 0.157 31.55 4 126.6 202.9
17 2 2 1 14.369 28.738 0.161 29.65 4 139.7 232.2
18 0 0 2 14.381 28.762 0.161 29.6 2 225.7 302.6
19 3 1 -2 14.921 29.842 0.167 27.35 4 264.9 770.8
20 2 2 -2 15.003 30.007 0.168 27.03 4 180.8 354.8
21 3 3 -1 15.144 30.287 0.17 26.5 4 61.5 40.2
22 0 4 1 15.455 30.91 0.173 25.36 4 216.8 478.8
23 3 3 0 15.702 31.404 0.176 24.51 4 108.2 115.1
24 2 4 0 15.812 31.624 0.177 24.15 4 461.9 2068.3
25 4 0 0 15.853 31.705 0.177 24.02 2 446.1 959.5
26 0 2 2 15.958 31.916 0.178 23.67 4 148.7 210.2
27 2 4 -1 16.009 32.017 0.179 23.51 4 31.6 9.4
28 4 2 -1 16.08 32.159 0.18 23.29 4 178.6 298.3
29 3 1 1 16.565 33.131 0.185 21.84 4 26.5 6.2
30 4 0 -2 16.625 33.25 0.186 21.67 2 236.2 242.7
31 1 1 2 16.79 33.579 0.188 21.21 4 226.9 438.5
32 1 3 -2 16.849 33.697 0.188 21.05 4 259.6 569.4
33 4 2 0 17.308 34.617 0.193 19.85 4 121.9 118.5
34 1 5 0 17.61 35.219 0.196 19.11 4 16.7 2.1
35 3 3 -2 17.863 35.727 0.199 18.52 4 34.3 8.8
36 4 2 -2 18.026 36.052 0.201 18.16 4 116.8 99.5
37 1 5 -1 18.448 36.897 0.205 17.26 4 4.4 0.1
38 5 1 -1 18.574 37.147 0.207 17.0 4 76.1 39.5
39 2 4 1 18.746 37.492 0.209 16.66 4 4.3 0.1
40 2 0 2 19.146 38.292 0.213 15.9 2 125.3 50.1
41 2 4 -2 19.251 38.503 0.214 15.71 4 98.8 61.5
42 3 3 1 19.286 38.571 0.214 15.65 4 98.9 61.4
43 1 3 2 19.482 38.965 0.216 15.3 4 153.7 145.2
44 5 1 -2 19.705 39.411 0.219 14.92 4 2.0 0.0
45 1 5 1 19.711 39.422 0.219 14.91 4 17.8 1.9
46 0 4 2 20.027 40.054 0.222 14.39 4 11.2 0.7
47 4 4 -1 20.127 40.254 0.223 14.23 4 72.7 30.2
48 5 1 0 20.274 40.547 0.225 14.01 4 168.3 159.2
49 2 2 2 20.397 40.793 0.226 13.82 4 66.4 24.5
50 3 1 -3 20.53 41.061 0.228 13.62 4 55.6 16.9
51 3 5 -1 20.604 41.208 0.228 13.51 4 61.3 20.4
52 0 6 0 20.712 41.423 0.23 13.35 2 39.1 4.1
53 1 1 -3 20.836 41.672 0.231 13.18 4 15.1 1.2
54 3 5 0 21.035 42.069 0.233 12.9 4 155.5 125.2
55 5 3 -1 21.071 42.141 0.233 12.85 4 84.1 36.5
56 4 4 0 21.152 42.304 0.234 12.74 4 32.0 5.2
57 2 2 -3 21.178 42.356 0.235 12.7 4 56.3 16.2
58 4 2 1 21.233 42.466 0.235 12.63 4 48.9 12.1
59 4 4 -2 21.761 43.523 0.241 11.95 4 96.6 44.8
60 1 5 -2 21.94 43.88 0.243 11.73 4 155.0 113.2
61 0 6 1 22.014 44.028 0.243 11.65 4 63.8 19.1
62 5 3 -2 22.095 44.191 0.244 11.55 4 239.8 266.7
63 2 6 0 22.279 44.559 0.246 11.34 4 38.2 6.6
64 2 6 -1 22.427 44.854 0.248 11.17 4 95.9 41.2
65 4 2 -3 22.435 44.87 0.248 11.16 4 88.5 35.1
66 5 3 0 22.614 45.229 0.25 10.96 4 118.1 61.4
67 6 0 -2 22.618 45.236 0.25 10.96 2 73.9 12.0
68 3 1 2 22.623 45.247 0.25 10.95 4 78.6 27.2
69 3 5 -2 22.761 45.523 0.251 10.8 4 223.8 217.3
70 3 3 -3 22.85 45.699 0.252 10.71 4 125.9 68.1
71 0 2 3 23.002 46.004 0.254 10.55 4 86.0 31.3
72 1 3 -3 23.131 46.261 0.255 10.42 4 151.2 95.5
73 6 2 -1 23.293 46.587 0.257 10.25 4 122.6 61.8
74 5 1 -3 23.325 46.65 0.257 10.22 4 13.4 0.7
75 6 2 -2 23.719 47.438 0.261 9.84 4 176.9 123.6
76 2 4 2 23.824 47.648 0.262 9.74 4 102.5 41.1
77 3 5 1 23.941 47.883 0.263 9.63 4 11.0 0.5
78 1 5 2 24.107 48.214 0.265 9.48 4 224.6 192.0
79 1 1 3 24.148 48.295 0.266 9.45 4 93.3 33.0
80 6 0 0 24.189 48.377 0.266 9.41 2 29.5 1.6
81 5 1 1 24.313 48.626 0.267 9.3 4 7.2 0.2
82 2 4 -3 24.518 49.036 0.269 9.13 4 193.6 137.3
83 2 6 1 24.561 49.121 0.27 9.09 4 27.9 2.8
84 4 4 1 24.567 49.134 0.27 9.08 4 78.6 22.5
85 1 7 0 24.723 49.445 0.271 8.95 4 90.0 29.1
86 3 3 2 24.787 49.574 0.272 8.9 4 284.5 289.3
87 2 6 -2 24.97 49.939 0.274 8.75 4 145.5 74.4
88 6 2 0 25.237 50.474 0.277 8.54 4 39.8 5.4
89 1 7 -1 25.366 50.732 0.278 8.45 4 197.6 132.3
90 5 3 -3 25.443 50.886 0.279 8.39 4 131.1 57.8
91 5 5 -1 25.463 50.927 0.279 8.37 4 70.8 16.8
92 0 6 2 25.605 51.21 0.281 8.27 4 114.5 43.5
93 4 4 -3 25.647 51.294 0.281 8.24 4 62.2 12.8
94 4 6 -1 25.688 51.376 0.281 8.21 4 109.8 39.7
95 4 0 2 25.897 51.794 0.284 8.06 2 2.8 0.0
96 0 4 3 26.161 52.322 0.286 7.87 4 9.5 0.3
97 1 3 3 26.216 52.432 0.287 7.84 4 133.2 55.8
98 5 5 -2 26.355 52.711 0.288 7.74 4 118.5 43.6
99 1 7 1 26.36 52.719 0.288 7.74 4 134.9 56.5
100 5 3 1 26.372 52.744 0.288 7.73 4 147.3 67.3
101 6 4 -1 26.426 52.853 0.289 7.69 4 100.1 30.9
102 6 2 -3 26.427 52.854 0.289 7.69 4 62.3 12.0
103 7 1 -2 26.45 52.9 0.289 7.68 4 153.0 72.2
104 4 6 0 26.543 53.087 0.29 7.62 4 58.4 10.4
105 7 1 -1 26.549 53.097 0.29 7.61 4 43.7 5.8
106 5 5 0 26.811 53.623 0.293 7.44 4 166.8 83.1
107 6 4 -2 26.815 53.629 0.293 7.44 4 274.3 224.9
108 4 2 2 26.897 53.794 0.294 7.39 4 182.5 98.9
109 3 5 -3 27.019 54.039 0.295 7.31 4 127.9 48.0
110 4 6 -2 27.059 54.118 0.295 7.29 4 88.6 23.0
111 3 7 -1 27.079 54.158 0.295 7.28 4 40.4 4.8
112 1 5 -3 27.268 54.536 0.297 7.16 4 52.1 7.8
113 3 1 -4 27.312 54.624 0.298 7.14 4 83.2 19.9
114 2 0 -4 27.342 54.685 0.298 7.12 2 521.1 388.1
115 2 2 3 27.428 54.857 0.299 7.07 4 0.6 0.0
116 3 7 0 27.431 54.861 0.299 7.07 4 14.9 0.6
117 4 0 -4 27.449 54.897 0.299 7.06 2 30.1 1.3
118 0 8 0 28.135 56.271 0.306 6.67 2 167.1 37.4
119 1 7 -2 28.178 56.357 0.307 6.65 4 129.0 44.4
120 6 4 0 28.212 56.424 0.307 6.63 4 376.1 376.6
121 2 2 -4 28.307 56.614 0.308 6.58 4 22.9 1.4
122 7 3 -2 28.398 56.796 0.309 6.53 4 7.7 0.2
123 4 2 -4 28.411 56.821 0.309 6.53 4 47.3 5.9
124 7 3 -1 28.492 56.984 0.31 6.48 4 8.5 0.2
125 1 1 -4 28.499 56.998 0.31 6.48 4 97.6 24.8
126 7 1 -3 28.513 57.025 0.31 6.47 4 75.9 15.0
127 5 1 -4 28.706 57.412 0.312 6.38 4 130.9 43.9
128 3 5 2 28.751 57.501 0.312 6.35 4 89.3 20.3
129 7 1 0 28.793 57.587 0.313 6.33 4 143.9 52.6
130 2 6 2 28.838 57.676 0.313 6.31 4 88.4 19.8
131 3 7 -2 28.867 57.734 0.313 6.3 4 238.2 143.4
132 0 8 1 29.185 58.37 0.317 6.14 4 134.8 44.8
133 6 2 1 29.203 58.405 0.317 6.13 4 89.6 19.8
134 3 3 -4 29.221 58.443 0.317 6.12 4 28.8 2.0
135 6 4 -3 29.319 58.637 0.318 6.08 4 4.7 0.1
136 5 5 -3 29.345 58.689 0.318 6.07 4 10.3 0.3
137 2 8 0 29.402 58.804 0.319 6.04 4 10.1 0.2
138 2 6 -3 29.448 58.895 0.319 6.02 4 116.8 33.0
139 4 6 1 29.491 58.982 0.32 6.0 4 97.0 22.6
140 2 8 -1 29.523 59.047 0.32 5.98 4 220.7 117.0
141 3 1 3 29.701 59.403 0.322 5.9 4 37.1 3.3
142 4 4 2 29.758 59.515 0.322 5.88 4 146.0 50.3
143 0 0 4 29.785 59.57 0.322 5.87 2 60.4 4.3
144 3 7 1 29.872 59.743 0.323 5.83 4 222.1 115.5
145 5 1 2 29.988 59.975 0.324 5.78 4 192.9 86.3
146 1 7 2 30.014 60.028 0.325 5.77 4 216.5 108.6
147 1 5 3 30.049 60.098 0.325 5.75 4 30.6 2.2
148 8 0 -2 30.084 60.167 0.325 5.74 2 358.6 148.1
149 6 0 -4 30.086 60.172 0.325 5.74 2 254.5 74.6
150 5 5 1 30.192 60.383 0.326 5.69 4 127.0 36.8
151 2 4 3 30.256 60.512 0.327 5.66 4 152.5 52.9
152 1 3 -4 30.36 60.72 0.328 5.62 4 82.4 15.3
153 7 3 -3 30.373 60.746 0.328 5.62 4 162.6 59.6
154 4 6 -3 30.45 60.899 0.329 5.58 4 46.4 4.8
155 5 3 -4 30.559 61.118 0.33 5.54 4 110.5 27.1
156 7 3 0 30.643 61.287 0.331 5.51 4 188.8 78.8
157 0 2 4 30.7 61.4 0.331 5.48 4 93.7 19.3
158 0 6 3 30.91 61.82 0.333 5.4 4 54.4 6.4
159 8 2 -2 30.993 61.987 0.334 5.37 4 179.5 69.5
160 6 2 -4 30.996 61.992 0.334 5.37 4 56.2 6.8
161 2 4 -4 31.084 62.167 0.335 5.34 4 5.7 0.1
162 6 6 -1 31.149 62.297 0.336 5.31 4 79.6 13.5
163 4 4 -4 31.182 62.363 0.336 5.3 4 345.4 253.8
164 5 7 -1 31.192 62.384 0.336 5.29 4 107.2 24.4
165 2 8 1 31.31 62.62 0.337 5.25 4 207.4 90.7
166 6 6 -2 31.499 62.998 0.339 5.18 4 73.7 11.3
167 3 3 3 31.519 63.037 0.339 5.17 4 74.6 11.6
168 8 2 -1 31.522 63.043 0.339 5.17 4 112.1 26.1
169 2 8 -2 31.659 63.318 0.341 5.12 4 29.7 1.8
170 5 3 2 31.795 63.591 0.342 5.08 4 47.2 4.5
171 6 4 1 31.931 63.863 0.343 5.03 4 106.8 23.0
172 5 7 -2 31.978 63.956 0.344 5.01 4 140.3 39.7
173 7 5 -2 32.062 64.123 0.345 4.99 4 162.7 53.0
174 1 1 4 32.083 64.166 0.345 4.98 4 54.9 6.0
175 7 5 -1 32.149 64.298 0.345 4.96 4 43.6 3.8
176 0 8 2 32.206 64.412 0.346 4.94 4 33.9 2.3
177 4 8 -1 32.278 64.555 0.347 4.91 4 64.8 8.3
178 1 9 0 32.336 64.671 0.347 4.89 4 136.3 36.5
179 5 7 0 32.383 64.765 0.348 4.88 4 147.6 42.7
180 8 2 -3 32.445 64.89 0.348 4.86 4 111.0 24.0
181 7 1 -4 32.468 64.935 0.348 4.85 4 85.4 14.2
182 3 7 -3 32.568 65.136 0.349 4.82 4 207.3 83.2
183 6 6 0 32.77 65.54 0.351 4.76 4 67.0 8.6
184 1 7 -3 32.79 65.581 0.352 4.75 4 244.7 114.2
185 3 5 -4 32.829 65.659 0.352 4.74 4 113.4 24.5
186 1 9 -1 32.879 65.759 0.352 4.72 4 64.2 7.8
187 7 1 1 32.901 65.802 0.353 4.71 4 54.3 5.6
188 4 8 0 33.022 66.044 0.354 4.68 4 122.5 28.2
189 8 0 0 33.115 66.23 0.355 4.65 2 319.1 95.1
190 0 4 4 33.357 66.715 0.357 4.58 4 322.1 190.7
191 4 8 -2 33.474 66.949 0.358 4.54 4 68.6 8.6
192 8 4 -2 33.638 67.276 0.36 4.5 4 105.6 20.1
193 6 4 -4 33.64 67.281 0.36 4.5 4 30.5 1.7
194 1 9 1 33.729 67.458 0.36 4.47 4 27.6 1.4
195 4 2 3 33.77 67.541 0.361 4.46 4 87.8 13.8
196 6 6 -3 33.787 67.575 0.361 4.46 4 66.7 7.9
197 1 3 4 33.828 67.655 0.361 4.45 4 46.6 3.9
198 1 5 -4 33.898 67.797 0.362 4.43 4 37.0 2.4
199 6 0 2 33.911 67.821 0.362 4.42 2 182.3 29.5
200 7 5 -3 33.911 67.821 0.362 4.42 4 70.8 8.9
201 8 2 0 33.98 67.959 0.363 4.4 4 11.3 0.2
202 5 5 -4 34.086 68.172 0.364 4.38 4 82.8 12.0
203 3 7 2 34.126 68.253 0.364 4.36 4 120.0 25.3
204 8 4 -1 34.144 68.289 0.364 4.36 4 179.9 56.6
205 7 5 0 34.165 68.331 0.365 4.35 4 16.6 0.5
206 4 6 2 34.194 68.387 0.365 4.35 4 52.1 4.7
207 7 3 -4 34.202 68.404 0.365 4.34 4 27.9 1.4
208 3 9 -1 34.352 68.704 0.366 4.31 4 54.0 5.0
209 2 0 4 34.441 68.882 0.367 4.28 2 456.5 179.1
210 9 1 -2 34.475 68.95 0.367 4.27 4 51.3 4.5
211 7 3 1 34.625 69.249 0.369 4.24 4 157.0 41.9
212 2 6 3 34.657 69.313 0.369 4.23 4 88.1 13.2
213 3 9 0 34.659 69.317 0.369 4.23 4 131.5 29.3
214 5 7 -3 34.667 69.335 0.369 4.23 4 246.8 103.4
215 6 2 2 34.765 69.531 0.37 4.2 4 101.0 17.2
216 8 0 -4 34.905 69.81 0.371 4.17 2 71.5 4.3
217 3 5 3 34.994 69.987 0.372 4.15 4 27.4 1.2
218 3 1 -5 34.995 69.99 0.372 4.15 4 18.4 0.6
219 8 4 -3 35.032 70.064 0.373 4.14 4 148.0 36.4
220 2 8 2 35.057 70.115 0.373 4.13 4 111.7 20.7
221 5 5 2 35.256 70.512 0.375 4.08 4 203.1 67.7
222 2 2 4 35.29 70.58 0.375 4.08 4 93.1 14.2
223 1 7 3 35.313 70.625 0.375 4.07 4 123.0 24.7
224 1 9 -2 35.315 70.63 0.375 4.07 4 241.4 95.3
225 9 1 -1 35.39 70.779 0.376 4.05 4 57.6 5.4
226 5 1 -5 35.394 70.788 0.376 4.05 4 68.1 7.5
227 2 6 -4 35.429 70.858 0.376 4.04 4 54.3 4.8
228 9 1 -3 35.442 70.885 0.376 4.04 4 24.5 1.0
229 5 7 1 35.444 70.888 0.376 4.04 4 182.0 53.7
230 4 6 -4 35.521 71.041 0.377 4.02 4 20.5 0.7
231 4 2 -5 35.544 71.089 0.377 4.02 4 91.6 13.5
232 2 8 -3 35.607 71.214 0.378 4.0 4 25.4 1.0
233 4 8 1 35.646 71.292 0.378 4.0 4 70.2 7.9
234 8 2 -4 35.749 71.498 0.379 3.97 4 33.6 1.8
235 3 9 -2 35.926 71.851 0.381 3.94 4 41.7 2.7
236 0 10 0 36.118 72.235 0.383 3.89 2 155.1 18.8
237 9 3 -2 36.163 72.326 0.383 3.89 4 124.5 24.2
238 6 6 1 36.225 72.45 0.384 3.87 4 49.3 3.8
239 2 2 -5 36.274 72.548 0.384 3.86 4 141.9 31.2
240 4 4 3 36.312 72.624 0.384 3.85 4 80.3 10.0
241 8 4 0 36.515 73.03 0.386 3.81 4 13.9 0.3
242 4 8 -3 36.518 73.035 0.386 3.81 4 137.0 28.7
243 3 3 -5 36.673 73.346 0.388 3.78 4 115.4 20.2
244 3 9 1 36.825 73.649 0.389 3.75 4 50.1 3.8
245 1 1 -5 36.85 73.699 0.389 3.75 4 124.8 23.4
246 5 1 3 36.927 73.854 0.39 3.73 4 56.1 4.7
247 0 8 3 36.939 73.879 0.39 3.73 4 200.3 60.1
248 1 9 2 36.953 73.906 0.39 3.73 4 66.1 6.5
249 0 10 1 37.041 74.082 0.391 3.71 4 6.0 0.1
250 6 2 -5 37.058 74.117 0.391 3.71 4 106.4 16.9
251 9 3 -1 37.06 74.12 0.391 3.71 4 33.2 1.6
252 5 3 -5 37.065 74.129 0.391 3.71 4 6.0 0.1
253 9 3 -3 37.112 74.224 0.392 3.7 4 157.8 37.0
254 6 8 -1 37.158 74.317 0.392 3.69 4 236.7 83.0
255 7 7 -2 37.178 74.356 0.392 3.69 4 119.0 21.0
256 1 5 4 37.198 74.396 0.392 3.68 4 119.7 21.2
257 2 10 0 37.233 74.466 0.393 3.68 4 49.2 3.6
258 7 7 -1 37.26 74.519 0.393 3.67 4 3.8 0.0
259 6 4 2 37.277 74.555 0.393 3.67 4 4.3 0.0
260 2 10 -1 37.341 74.682 0.394 3.66 4 65.4 6.3
261 6 8 -2 37.481 74.962 0.395 3.63 4 54.3 4.3
262 7 5 -4 37.558 75.116 0.396 3.62 4 237.6 82.0
263 0 6 4 37.574 75.148 0.396 3.62 4 21.6 0.7
264 3 1 4 37.695 75.389 0.397 3.6 4 66.0 6.3
265 2 4 4 37.788 75.575 0.398 3.58 4 33.9 1.6
266 8 6 -2 37.841 75.681 0.398 3.57 4 109.5 17.2
267 6 6 -4 37.843 75.686 0.398 3.57 4 90.1 11.6
268 3 7 -4 37.897 75.795 0.399 3.56 4 177.5 45.1
269 7 5 1 37.965 75.929 0.399 3.55 4 5.3 0.0
270 7 1 -5 38.018 76.035 0.4 3.54 4 52.9 4.0
271 5 9 -1 38.022 76.044 0.4 3.54 4 88.2 11.1
272 4 4 -5 38.036 76.071 0.4 3.54 4 31.1 1.4
273 9 1 0 38.129 76.258 0.401 3.52 4 34.2 1.7
274 8 2 1 38.189 76.377 0.401 3.51 4 72.5 7.4
275 9 1 -4 38.232 76.463 0.402 3.51 4 151.2 32.2
276 8 4 -4 38.235 76.47 0.402 3.51 4 226.0 71.9
277 8 6 -1 38.323 76.647 0.403 3.49 4 98.7 13.6
278 1 3 -5 38.496 76.992 0.404 3.46 4 28.9 1.2
279 5 3 3 38.572 77.144 0.405 3.45 4 15.9 0.4
280 7 1 2 38.585 77.169 0.405 3.45 4 78.2 8.5
281 6 8 0 38.66 77.321 0.406 3.44 4 21.2 0.6
282 5 9 -2 38.742 77.485 0.406 3.43 4 131.7 23.9
283 2 4 -5 38.748 77.495 0.406 3.43 4 107.7 15.9
284 10 0 -2 38.759 77.517 0.406 3.42 2 9.7 0.1
285 1 7 -4 38.906 77.812 0.408 3.4 4 40.1 2.2
286 7 7 -3 38.918 77.835 0.408 3.4 4 172.1 40.5
287 2 10 1 38.947 77.893 0.408 3.4 4 65.4 5.8
288 5 7 -4 39.084 78.167 0.409 3.38 4 36.4 1.8
289 5 9 0 39.116 78.231 0.41 3.37 4 121.9 20.1
290 7 7 0 39.159 78.318 0.41 3.37 4 80.0 8.7
291 8 6 -3 39.173 78.347 0.41 3.36 4 12.9 0.2
292 0 2 5 39.199 78.399 0.41 3.36 4 97.6 12.9
293 2 10 -2 39.264 78.529 0.411 3.35 4 75.0 7.6
294 3 9 -3 39.287 78.574 0.411 3.35 4 49.6 3.3
295 3 3 4 39.329 78.658 0.411 3.34 4 24.1 0.8
296 9 5 -2 39.453 78.906 0.412 3.33 4 132.3 23.4
297 1 9 -3 39.493 78.986 0.413 3.32 4 92.5 11.4
298 6 4 -5 39.515 79.03 0.413 3.32 4 97.5 12.7
299 10 2 -2 39.572 79.144 0.414 3.31 4 115.4 17.7
300 6 8 -3 39.614 79.228 0.414 3.3 4 148.4 29.2
301 7 3 -5 39.648 79.296 0.414 3.3 4 2.6 0.0
302 9 3 0 39.758 79.516 0.415 3.29 4 54.1 3.9
303 0 10 2 39.765 79.529 0.415 3.28 4 61.9 5.1
304 4 10 -1 39.83 79.661 0.416 3.28 4 66.9 5.9
305 9 3 -4 39.859 79.719 0.416 3.27 4 187.8 46.3
306 3 7 3 39.947 79.895 0.417 3.26 4 113.7 16.9
307 3 5 -5 39.949 79.898 0.417 3.26 4 62.2 5.1
308 4 8 2 39.997 79.993 0.417 3.26 4 48.7 3.1
309 10 2 -3 40.099 80.198 0.418 3.24 4 32.0 1.3
310 5 7 2 40.198 80.397 0.419 3.23 4 180.5 42.2
311 7 3 2 40.208 80.417 0.419 3.23 4 203.2 53.6
312 9 5 -1 40.326 80.652 0.42 3.21 4 14.9 0.3
313 5 5 -5 40.33 80.66 0.42 3.21 4 36.5 1.7
314 9 5 -3 40.376 80.753 0.42 3.21 4 2.0 0.0
315 4 6 3 40.406 80.813 0.421 3.21 4 65.4 5.5
316 2 8 3 40.435 80.869 0.421 3.2 4 72.4 6.7
317 4 10 0 40.516 81.032 0.422 3.19 4 115.6 17.1
318 8 6 0 40.603 81.205 0.422 3.18 4 113.5 16.4
319 8 4 1 40.625 81.249 0.423 3.18 4 26.8 0.9
320 1 11 0 40.691 81.381 0.423 3.17 4 93.7 11.2
321 8 2 -5 40.726 81.452 0.424 3.17 4 158.1 31.8
322 3 9 2 40.74 81.48 0.424 3.17 4 167.4 35.6
323 10 2 -1 40.838 81.677 0.424 3.16 4 106.3 14.3
324 1 1 5 40.844 81.688 0.425 3.16 4 20.5 0.5
325 4 10 -2 40.936 81.872 0.425 3.15 4 17.1 0.4
326 4 0 4 40.992 81.983 0.426 3.14 2 9.4 0.1
327 2 8 -4 41.168 82.337 0.427 3.12 4 138.1 23.9
328 1 11 -1 41.189 82.379 0.427 3.12 4 2.3 0.0
329 5 9 -3 41.25 82.499 0.428 3.11 4 25.4 0.8
330 4 8 -4 41.256 82.512 0.428 3.11 4 3.9 0.0
331 6 6 2 41.342 82.684 0.429 3.1 4 142.5 25.3
332 10 0 -4 41.604 83.209 0.431 3.08 2 280.2 48.5
333 0 4 5 41.62 83.24 0.431 3.07 4 47.9 2.8
334 1 5 -5 41.73 83.46 0.432 3.06 4 3.8 0.0
335 6 2 3 41.732 83.465 0.432 3.06 4 123.8 18.9
336 4 2 4 41.794 83.588 0.433 3.06 4 60.9 4.6
337 5 5 3 41.804 83.609 0.433 3.06 4 49.5 3.0
338 2 6 4 41.839 83.677 0.433 3.05 4 1.4 0.0
339 1 9 3 41.86 83.721 0.433 3.05 4 18.3 0.4
340 6 8 1 41.929 83.859 0.434 3.04 4 86.2 9.1
341 1 11 1 41.975 83.95 0.434 3.04 4 195.0 46.4
342 5 9 1 41.985 83.97 0.434 3.04 4 84.4 8.7
343 10 4 -2 41.988 83.975 0.434 3.04 4 220.6 59.4
344 1 7 4 42.066 84.133 0.435 3.03 4 4.3 0.0
345 4 6 -5 42.08 84.161 0.435 3.03 4 53.4 3.5
346 8 6 -4 42.275 84.55 0.437 3.01 4 56.0 3.8
347 10 2 -4 42.405 84.81 0.438 3.0 4 13.8 0.2
348 7 7 -4 42.415 84.831 0.438 3.0 4 97.5 11.5
349 2 10 2 42.419 84.838 0.438 3.0 4 45.0 2.4
350 1 3 5 42.448 84.896 0.438 3.0 4 67.5 5.5
351 10 4 -3 42.509 85.017 0.439 2.99 4 15.9 0.3
352 3 5 4 42.548 85.096 0.439 2.99 4 52.7 3.3
353 3 11 -1 42.555 85.111 0.439 2.99 4 156.3 29.3
354 9 1 1 42.585 85.17 0.439 2.99 4 100.0 12.0
355 9 1 -5 42.735 85.47 0.44 2.97 4 47.0 2.6
356 2 6 -5 42.776 85.553 0.441 2.97 4 85.7 8.8
357 7 7 1 42.811 85.622 0.441 2.97 4 199.3 47.3
358 3 11 0 42.843 85.685 0.441 2.97 4 14.7 0.3
359 7 5 -5 42.862 85.724 0.442 2.96 4 38.2 1.7
360 2 10 -3 42.939 85.878 0.442 2.96 4 14.3 0.2
361 9 5 0 42.971 85.942 0.442 2.96 4 185.7 40.9
362 4 10 1 42.976 85.952 0.442 2.96 4 28.4 1.0
363 9 5 -4 43.071 86.141 0.443 2.95 4 37.3 1.6
364 10 0 0 43.071 86.142 0.443 2.95 2 68.8 2.8
365 4 0 -6 43.078 86.155 0.443 2.95 2 39.8 0.9
366 8 4 -5 43.13 86.259 0.444 2.94 4 37.1 1.6
367 8 0 2 43.226 86.452 0.445 2.94 2 12.0 0.1
368 0 8 4 43.23 86.459 0.445 2.94 4 2.3 0.0
369 10 4 -1 43.241 86.481 0.445 2.94 4 44.1 2.3
370 5 1 -6 43.342 86.685 0.446 2.93 4 142.9 24.0
371 7 5 2 43.415 86.83 0.446 2.92 4 100.9 11.9
372 1 11 -2 43.461 86.922 0.446 2.92 4 58.1 4.0
373 8 8 -2 43.488 86.977 0.447 2.92 4 39.5 1.8
374 6 8 -4 43.49 86.981 0.447 2.92 4 121.4 17.3
375 6 6 -5 43.529 87.059 0.447 2.92 4 95.2 10.6
376 7 9 -2 43.645 87.289 0.448 2.91 4 16.5 0.3
377 7 9 -1 43.723 87.447 0.449 2.9 4 1.1 0.0
378 6 0 -6 43.743 87.486 0.449 2.9 2 290.9 49.3
379 3 1 -6 43.747 87.494 0.449 2.9 4 97.7 11.1
380 4 10 -3 43.807 87.615 0.449 2.9 4 11.5 0.2
381 11 1 -2 43.838 87.676 0.45 2.89 4 70.5 5.8
382 10 2 0 43.869 87.737 0.45 2.89 4 65.4 5.0
383 4 2 -6 43.875 87.75 0.45 2.89 4 122.2 17.4
384 8 8 -1 43.958 87.915 0.451 2.89 4 120.1 16.7
385 11 1 -3 43.967 87.934 0.451 2.89 4 134.3 20.9
386 8 2 2 44.023 88.046 0.451 2.88 4 91.3 9.6
387 3 11 -2 44.039 88.078 0.451 2.88 4 151.7 26.6
388 6 4 3 44.128 88.256 0.452 2.88 4 137.5 21.8
389 9 3 1 44.18 88.361 0.452 2.87 4 105.8 12.9
390 4 4 4 44.19 88.379 0.452 2.87 4 320.2 118.3
391 2 2 5 44.207 88.414 0.453 2.87 4 5.9 0.0
392 0 10 3 44.212 88.423 0.453 2.87 4 94.9 10.4
393 9 7 -2 44.265 88.531 0.453 2.87 4 116.3 15.6
394 9 3 -5 44.33 88.66 0.454 2.86 4 12.0 0.2
395 3 9 -4 44.34 88.68 0.454 2.86 4 101.8 11.9
396 6 10 -1 44.422 88.845 0.454 2.86 4 55.1 3.5
397 6 2 -6 44.54 89.08 0.455 2.85 4 137.4 21.6
398 2 0 -6 44.552 89.104 0.455 2.85 2 197.1 22.2
399 8 6 1 44.623 89.246 0.456 2.85 4 53.2 3.2
400 6 10 -2 44.734 89.467 0.457 2.84 4 50.7 2.9
401 3 7 -5 44.753 89.505 0.457 2.84 4 91.1 9.5
402 8 8 -3 44.787 89.575 0.457 2.84 4 13.2 0.2
403 10 4 -4 44.798 89.595 0.457 2.84 4 47.4 2.6
404 3 11 1 44.898 89.796 0.458 2.83 4 110.1 13.8
405 5 3 -6 44.936 89.872 0.458 2.83 4 13.3 0.2
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 1 0 5.176 10.352 8.53864 32.4 1.6 1.6 5.6
2 0 2 0 6.77 13.541 6.53395 333.7 16.1 16.3 5.6
3 1 1 -1 7.437 14.874 5.95095 21.1 1.0 1.0 5.6
4 2 0 0 7.85 15.7 5.63973 143.4 6.9 7.0 5.6
5 0 2 1 9.859 19.719 4.49849 172.5 8.3 8.4 5.6
6 1 1 1 10.036 20.071 4.42032 315.0 15.2 15.4 5.6
7 2 2 0 10.394 20.789 4.26932 271.6 13.1 13.2 5.6
8 2 2 -1 10.683 21.366 4.15534 335.7 16.2 16.4 5.6
9 3 1 -1 11.603 23.205 3.82986 313.4 15.2 15.3 5.6
10 1 3 -1 12.185 24.37 3.64944 558.2 27.0 27.1 5.6
11 3 1 0 12.309 24.618 3.61324 394.3 19.1 19.2 5.6
12 2 0 -2 13.325 26.65 3.34213 34.9 1.7 1.7 5.6
13 0 4 0 13.637 27.275 3.26697 39.4 1.9 1.9 5.6
14 1 1 -2 13.715 27.43 3.2488 722.2 34.9 35.0 5.6
15 1 3 1 13.955 27.911 3.19396 202.9 9.8 9.8 5.6
16 0 0 2 14.381 28.762 3.10132 534.8 25.9 25.9 5.6
17 3 1 -2 14.921 29.842 2.99153 770.8 37.3 37.3 5.6
18 2 2 -2 15.003 30.007 2.97548 354.8 17.2 17.2 5.6
19 3 3 -1 15.144 30.287 2.94855 40.2 1.9 1.9 5.6
20 0 4 1 15.455 30.91 2.89054 478.8 23.1 23.2 5.6
21 3 3 0 15.702 31.404 2.84621 115.1 5.6 5.6 5.6
22 2 4 0 15.812 31.624 2.82692 2068.3 100.0 100.0 5.6
23 4 0 0 15.853 31.705 2.81986 959.5 46.4 46.4 5.6
24 0 2 2 15.958 31.916 2.80173 210.2 10.2 10.2 5.6
25 4 2 -1 16.08 32.159 2.78107 298.3 14.4 14.4 5.6
26 4 0 -2 16.625 33.25 2.69226 242.7 11.7 11.7 5.6
27 1 1 2 16.79 33.579 2.66665 438.5 21.2 21.2 5.7
28 1 3 -2 16.849 33.697 2.65756 569.4 27.5 27.5 5.7
29 4 2 0 17.308 34.617 2.58904 118.5 5.7 5.7 5.7
30 4 2 -2 18.026 36.052 2.48923 99.5 4.8 4.8 5.7
31 5 1 -1 18.574 37.147 2.41829 39.5 1.9 1.9 5.7
32 2 0 2 19.146 38.292 2.3486 50.1 2.4 2.4 5.7
33 2 4 -2 19.251 38.503 2.33622 61.5 3.0 3.0 5.7
34 3 3 1 19.286 38.571 2.33223 61.4 3.0 3.0 5.7
35 1 3 2 19.482 38.965 2.30956 145.2 7.0 7.0 5.7
36 4 4 -1 20.127 40.254 2.23851 30.2 1.5 1.4 5.7
37 5 1 0 20.274 40.547 2.22301 159.2 7.7 7.6 5.7
38 2 2 2 20.397 40.793 2.21016 24.5 1.2 1.2 5.7
39 3 5 0 21.035 42.069 2.14602 125.2 6.1 6.0 5.7
40 5 3 -1 21.071 42.141 2.14254 36.5 1.8 1.7 5.7
41 2 2 -3 21.178 42.356 2.13215 21.4 1.0 1.0 5.7
42 4 4 -2 21.761 43.523 2.07767 44.8 2.2 2.1 5.7
43 1 5 -2 21.94 43.88 2.0616 113.2 5.5 5.4 5.7
44 5 3 -2 22.095 44.191 2.0478 266.7 12.9 12.7 5.7
45 2 6 -1 22.427 44.854 2.01907 76.4 3.7 3.6 5.7
46 5 3 0 22.614 45.229 2.0032 100.6 4.9 4.8 5.7
47 3 5 -2 22.761 45.523 1.99094 217.3 10.5 10.4 5.7
48 3 3 -3 22.85 45.699 1.98365 68.1 3.3 3.2 5.7
49 0 2 3 23.002 46.004 1.97121 31.3 1.5 1.5 5.7
50 1 3 -3 23.131 46.261 1.96085 95.5 4.6 4.6 5.7
51 6 2 -1 23.293 46.587 1.9479 61.8 3.0 2.9 5.7
52 6 2 -2 23.719 47.438 1.91493 123.6 6.0 5.9 5.7
53 2 4 2 23.824 47.648 1.90697 41.1 2.0 2.0 5.7
54 1 5 2 24.107 48.214 1.8859 192.0 9.3 9.1 5.7
55 1 1 3 24.148 48.295 1.88291 33.0 1.6 1.6 5.7
56 2 4 -3 24.518 49.036 1.85618 137.3 6.6 6.5 5.7
57 4 4 1 24.567 49.134 1.85271 25.4 1.2 1.2 5.7
58 1 7 0 24.723 49.445 1.84179 29.1 1.4 1.4 5.7
59 3 3 2 24.787 49.574 1.8373 289.3 14.0 13.7 5.7
60 2 6 -2 24.97 49.939 1.82472 74.4 3.6 3.5 5.7
61 1 7 -1 25.366 50.732 1.79803 132.3 6.4 6.3 5.8
62 5 3 -3 25.443 50.886 1.79295 74.7 3.6 3.5 5.8
63 0 6 2 25.605 51.21 1.78236 43.5 2.1 2.1 5.8
64 4 6 -1 25.688 51.376 1.77701 39.7 1.9 1.9 5.8
65 1 3 3 26.216 52.432 1.74367 55.8 2.7 2.6 5.8
66 5 3 1 26.372 52.744 1.73409 167.4 8.1 7.9 5.8
67 7 1 -2 26.45 52.9 1.72935 115.1 5.6 5.4 5.8
68 6 4 -2 26.815 53.629 1.70753 308.0 14.9 14.5 5.8
69 4 2 2 26.897 53.794 1.70271 98.9 4.8 4.7 5.8
70 3 5 -3 27.019 54.039 1.69557 48.0 2.3 2.3 5.8
71 4 6 -2 27.059 54.118 1.69328 27.7 1.3 1.3 5.8
72 2 0 -4 27.342 54.685 1.67706 388.1 18.8 18.3 5.8
73 0 8 0 28.135 56.271 1.63349 37.4 1.8 1.8 5.8
74 1 7 -2 28.178 56.357 1.6312 44.4 2.1 2.1 5.8
75 6 4 0 28.212 56.424 1.6294 376.6 18.2 17.7 5.8
76 1 1 -4 28.499 56.998 1.61435 39.8 1.9 1.9 5.8
77 5 1 -4 28.706 57.412 1.60371 43.9 2.1 2.1 5.8
78 7 1 0 28.793 57.587 1.59924 52.6 2.5 2.5 5.8
79 3 7 -2 28.867 57.734 1.59552 163.2 7.9 7.7 5.8
80 0 8 1 29.185 58.37 1.57963 64.6 3.1 3.0 5.8
81 2 6 -3 29.448 58.895 1.56679 33.0 1.6 1.5 5.8
82 4 6 1 29.491 58.982 1.56471 22.6 1.1 1.1 5.8
83 2 8 -1 29.523 59.047 1.56314 117.0 5.7 5.5 5.8
84 4 4 2 29.758 59.515 1.55195 54.6 2.6 2.6 5.8
85 3 7 1 29.872 59.743 1.54657 115.5 5.6 5.4 5.8
86 1 7 2 30.014 60.028 1.53991 194.9 9.4 9.1 5.8
87 8 0 -2 30.084 60.167 1.53668 222.7 10.8 10.4 5.8
88 5 5 1 30.192 60.383 1.53169 36.8 1.8 1.7 5.8
89 2 4 3 30.256 60.512 1.52874 52.9 2.6 2.5 5.8
90 7 3 -3 30.373 60.746 1.52341 74.9 3.6 3.5 5.8
91 5 3 -4 30.559 61.118 1.51503 27.1 1.3 1.3 5.8
92 7 3 0 30.643 61.287 1.51126 78.8 3.8 3.7 5.8
93 8 2 -2 30.993 61.987 1.49587 76.3 3.7 3.6 5.8
94 4 4 -4 31.182 62.363 1.48774 278.2 13.4 13.0 5.8
95 2 8 1 31.31 62.62 1.48226 90.7 4.4 4.2 5.8
96 8 2 -1 31.522 63.043 1.47331 49.0 2.4 2.3 5.9
97 6 4 1 31.931 63.863 1.45637 23.0 1.1 1.1 5.9
98 5 7 -2 31.978 63.956 1.45448 39.7 1.9 1.8 5.9
99 7 5 -2 32.062 64.123 1.45108 59.0 2.9 2.7 5.9
100 1 9 0 32.336 64.671 1.44011 36.5 1.8 1.7 5.9
101 5 7 0 32.383 64.765 1.43824 42.7 2.1 2.0 5.9
102 8 2 -3 32.445 64.89 1.43577 38.2 1.8 1.8 5.9
103 3 7 -3 32.568 65.136 1.43095 83.2 4.0 3.9 5.9
104 1 7 -3 32.79 65.581 1.42232 122.7 5.9 5.7 5.9
105 3 5 -4 32.829 65.659 1.42081 24.5 1.2 1.1 5.9
106 4 8 0 33.022 66.044 1.41346 28.2 1.4 1.3 5.9
107 8 0 0 33.115 66.23 1.40993 95.1 4.6 4.4 5.9
108 0 4 4 33.357 66.715 1.40087 190.7 9.2 8.8 5.9
109 8 4 -2 33.638 67.276 1.39054 21.8 1.1 1.0 5.9
110 4 2 3 33.77 67.541 1.38573 21.8 1.1 1.0 5.9
111 7 5 -3 33.911 67.821 1.38068 40.8 2.0 1.9 5.9
112 8 4 -1 34.144 68.289 1.37236 81.9 4.0 3.8 5.9
113 2 0 4 34.441 68.882 1.36198 179.1 8.7 8.3 5.9
114 7 3 1 34.625 69.249 1.35565 41.9 2.0 1.9 5.9
115 5 7 -3 34.667 69.335 1.35419 145.9 7.1 6.7 5.9
116 8 4 -3 35.032 70.064 1.34187 57.1 2.8 2.6 5.9
117 5 5 2 35.256 70.512 1.33443 67.7 3.3 3.1 5.9
118 1 9 -2 35.315 70.63 1.33249 134.2 6.5 6.2 5.9
119 5 7 1 35.444 70.888 1.32829 59.5 2.9 2.7 5.9
120 9 3 -2 36.163 72.326 1.30537 24.2 1.2 1.1 5.9
121 2 2 -5 36.274 72.548 1.30192 31.2 1.5 1.4 6.0
122 4 8 -3 36.518 73.035 1.29443 28.7 1.4 1.3 6.0
123 1 1 -5 36.85 73.699 1.2844 27.2 1.3 1.2 6.0
124 1 9 2 36.953 73.906 1.28132 71.4 3.5 3.3 6.0
125 9 3 -3 37.112 74.224 1.27662 37.0 1.8 1.7 6.0
126 6 8 -1 37.158 74.317 1.27526 104.0 5.0 4.8 6.0
127 1 5 4 37.198 74.396 1.2741 21.2 1.0 1.0 6.0
128 7 5 -4 37.558 75.116 1.26366 82.7 4.0 3.8 6.0
129 8 6 -2 37.841 75.681 1.25561 28.8 1.4 1.3 6.0
130 3 7 -4 37.897 75.795 1.25402 45.1 2.2 2.1 6.0
131 8 4 -4 38.235 76.47 1.24461 104.1 5.0 4.7 6.0
132 5 9 -2 38.742 77.485 1.23084 39.9 1.9 1.8 6.0
133 7 7 -3 38.918 77.835 1.22617 48.5 2.3 2.2 6.0
134 9 5 -2 39.453 78.906 1.21218 23.4 1.1 1.1 6.0
135 6 4 -5 39.515 79.03 1.21059 24.1 1.2 1.1 6.0
136 6 8 -3 39.614 79.228 1.20807 29.2 1.4 1.3 6.0
137 9 3 -4 39.859 79.719 1.20186 52.2 2.5 2.4 6.0
138 3 7 3 39.947 79.895 1.19965 22.0 1.1 1.0 6.0
139 7 3 2 40.208 80.417 1.19318 95.8 4.6 4.3 6.0
140 3 9 2 40.74 81.48 1.18027 67.4 3.3 3.0 6.1
141 2 8 -4 41.168 82.337 1.17015 23.9 1.2 1.1 6.1
142 6 6 2 41.342 82.684 1.16611 25.3 1.2 1.1 6.1
143 10 0 -4 41.604 83.209 1.16009 51.3 2.5 2.3 6.1
144 10 4 -2 41.988 83.975 1.15144 114.5 5.5 5.1 6.1
145 3 11 -1 42.555 85.111 1.13896 44.6 2.2 2.0 6.1
146 7 7 1 42.811 85.622 1.13347 47.3 2.3 2.1 6.1
147 9 5 0 42.971 85.942 1.13006 41.9 2.0 1.9 6.1
148 5 1 -6 43.342 86.685 1.12228 24.0 1.2 1.1 6.1
149 6 8 -4 43.49 86.981 1.11921 23.1 1.1 1.0 6.1
150 6 0 -6 43.743 87.486 1.11404 60.4 2.9 2.7 6.2
151 11 1 -3 43.967 87.934 1.10953 37.6 1.8 1.7 6.2
152 3 11 -2 44.039 88.078 1.10808 36.3 1.8 1.6 6.2
153 6 4 3 44.128 88.256 1.1063 21.8 1.1 1.0 6.2
154 4 4 4 44.19 88.379 1.10508 141.6 6.8 6.3 6.2
155 2 0 -6 44.552 89.104 1.09796 43.8 2.1 1.9 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)
|