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 ***
***********************
MORENOSITE
2, syn, f-hexahydrite, g-epsomite
NiSO(4).7H(2)O
Orthorhombic P 2(1)2(1)2(1) Z = 4
P2(1)2(1)2(1)
8 .10 .8
Ref.Str.:
Beevers C.A., Schwartz C.M. (1938)
* Z. Kristallogr., 91, 157-169
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.82 alpha = 90.0
b = 12.02 beta = 90.0
c = 6.81 gamma = 90.0
Unit cell volume (cub. angs.) = 967.54
Molar volume ( cub.cm/mol.) = 145.7
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.42 0.11 0.04 0.0 Ni = 1.00
2 0.725 0.185 0.49 0.0 S = 1.00
3 0.69 0.08 0.37 0.0 O = 1.00
4 0.86 0.19 0.48 0.0 O = 1.00
5 0.69 0.19 0.69 0.0 O = 1.00
6 0.68 0.28 0.37 0.0 O = 1.00
7 0.26 0.17 0.01 0.0 H(2)O = 1.00
8 0.46 0.25 0.19 0.0 H(2)O = 1.00
9 0.46 0.18 0.79 0.0 H(2)O = 1.00
10 0.57 0.04 0.05 0.0 H(2)O = 1.00
11 0.36 0.96 0.91 0.0 H(2)O = 1.00
12 0.36 0.03 0.29 0.0 H(2)O = 1.00
13 0.48 0.44 0.93 0.0 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.42 0.11 0.04
2 2 0.725 0.185 0.49
3 3 0.69 0.08 0.37
4 4 0.86 0.19 0.48
5 5 0.69 0.19 0.69
6 6 0.68 0.28 0.37
7 7 0.26 0.17 0.01
8 8 0.46 0.25 0.19
9 9 0.46 0.18 0.79
10 10 0.57 0.04 0.05
11 11 0.36 0.96 0.91
12 12 0.36 0.03 0.29
13 13 0.48 0.44 0.93
14 1 0.08 0.89 0.54
15 2 0.775 0.815 0.99
16 3 0.81 0.92 0.87
17 4 0.64 0.81 0.98
18 5 0.81 0.81 0.19
19 6 0.82 0.72 0.87
20 7 0.24 0.83 0.51
21 8 0.04 0.75 0.69
22 9 0.04 0.82 0.29
23 10 0.93 0.96 0.55
24 11 0.14 0.04 0.41
25 12 0.14 0.97 0.79
26 13 0.02 0.56 0.43
27 1 0.58 0.61 0.46
28 2 0.275 0.685 0.01
29 3 0.31 0.58 0.13
30 4 0.14 0.69 0.02
31 5 0.31 0.69 0.81
32 6 0.32 0.78 0.13
33 7 0.74 0.67 0.49
34 8 0.54 0.75 0.31
35 9 0.54 0.68 0.71
36 10 0.43 0.54 0.45
37 11 0.64 0.46 0.59
38 12 0.64 0.53 0.21
39 13 0.52 0.94 0.57
40 1 0.92 0.39 0.96
41 2 0.225 0.315 0.51
42 3 0.19 0.42 0.63
43 4 0.36 0.31 0.52
44 5 0.19 0.31 0.31
45 6 0.18 0.22 0.63
46 7 0.76 0.33 0.99
47 8 0.96 0.25 0.81
48 9 0.96 0.32 0.21
49 10 0.07 0.46 0.95
50 11 0.86 0.54 0.09
51 12 0.86 0.47 0.71
52 13 0.98 0.06 0.07
X-ray density (g/cm cub.) = 1.93
MU (1/cm) = 81.545 Mass attenuation coefficient (cm**2/g) = 42.307
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ni 2.688 6
2.0343 7
2.0246 8
1.957 9
1.9637 10
2.1301 11
2.0799 12
2 S 2.148 4
1.5594 3
1.5983 4
1.4247 5
1.5016 6
3 O 3.432 6
2.5193 4
2.5489 5
2.4069 6
2.6442 10
3.4104 10
2.9537 13
4 O 3.432 6
2.5193 3
2.4663 5
2.5016 6
2.9249 10
2.6396 8
2.6869 9
5 O 3.432 8
2.5489 3
2.4663 4
2.4358 6
2.8052 9
3.3575 10
3.3683 11
2.7731 7
3.3724 8
6 O 3.432 7
2.4069 3
2.5016 4
2.4358 5
2.8974 8
2.6738 11
3.2312 12
2.8199 7
7 H(2)O 3.6 9
2.8312 8
2.8013 9
2.8692 11
2.8044 12
3.4458 11
3.1679 12
2.7731 5
2.8199 6
3.5873 13
8 H(2)O 3.6 8
2.8974 6
2.8312 7
2.851 9
2.9952 10
2.9755 12
2.8994 13
2.6396 4
3.3724 5
9 H(2)O 3.6 9
2.8052 5
2.8013 7
2.851 8
2.7672 10
3.0096 11
3.2759 13
3.3271 13
2.6869 4
3.5174 6
10 H(2)O 3.6 9
2.6442 3
3.3575 5
2.9952 8
2.7672 9
2.8275 11
2.9744 12
3.4104 3
2.9249 4
3.5326 13
11 H(2)O 3.6 9
2.8692 7
3.0096 9
2.8275 10
2.7212 12
3.4458 7
2.7284 12
3.3683 5
2.6738 6
2.9993 13
12 H(2)O 3.6 8
2.8044 7
2.9755 8
2.9744 10
2.7212 11
3.1679 7
2.7284 11
3.2312 6
2.8953 13
13 H(2)O 3.6 9
2.8994 8
3.2759 9
2.9537 3
3.3271 9
3.5326 10
2.9993 11
2.8953 12
3.4999 4
3.5873 7
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 6.092 12.185 0.059 174.59 4 25.2 47.5
2 0 2 0 8.559 17.118 0.083 87.36 2 38.7 28.0
3 0 1 1 8.683 17.365 0.084 84.82 4 3.0 0.3
4 2 0 0 8.705 17.41 0.085 84.38 2 7.9 1.1
5 1 0 1 8.719 17.438 0.085 84.1 4 31.2 34.9
6 1 2 0 9.611 19.222 0.093 68.82 4 109.6 353.0
7 2 1 0 9.709 19.419 0.094 67.39 4 41.4 49.4
8 1 1 1 9.722 19.444 0.094 67.22 8 79.7 364.7
9 0 2 1 11.449 22.898 0.111 47.87 4 31.9 20.8
10 2 0 1 11.56 23.12 0.112 46.92 4 121.9 298.0
11 2 2 0 12.255 24.51 0.119 41.52 4 70.4 87.9
12 1 2 1 12.265 24.53 0.119 41.44 8 121.5 522.8
13 2 1 1 12.343 24.686 0.119 40.9 8 117.0 478.1
14 1 3 0 13.634 27.268 0.132 33.15 4 42.5 25.6
15 3 1 0 13.822 27.644 0.134 32.2 4 88.3 107.3
16 2 2 1 14.455 28.909 0.14 29.27 8 4.9 0.6
17 0 3 1 15.012 30.023 0.145 27.0 4 118.7 162.5
18 3 0 1 15.205 30.411 0.147 26.27 4 30.0 10.1
19 0 0 2 15.23 30.459 0.147 26.18 2 147.7 122.0
20 2 3 0 15.647 31.294 0.151 24.7 4 44.6 21.0
21 1 3 1 15.655 31.31 0.151 24.67 8 43.4 39.8
22 3 2 0 15.751 31.502 0.152 24.35 4 22.0 5.1
23 3 1 1 15.821 31.642 0.152 24.12 8 17.4 6.2
24 0 1 2 15.844 31.689 0.153 24.04 4 14.0 2.0
25 1 0 2 15.865 31.73 0.153 23.97 4 32.1 10.6
26 1 1 2 16.458 32.917 0.158 22.14 8 24.0 10.9
27 0 4 0 17.317 34.634 0.166 19.83 2 23.5 2.3
28 2 3 1 17.457 34.914 0.168 19.48 8 53.0 46.8
29 3 2 1 17.551 35.103 0.169 19.25 8 34.1 19.1
30 0 2 2 17.573 35.146 0.169 19.2 4 15.6 2.0
31 4 0 0 17.619 35.239 0.169 19.09 2 3.8 0.1
32 2 0 2 17.648 35.296 0.169 19.02 4 19.7 3.2
33 1 4 0 17.886 35.772 0.172 18.47 4 11.6 1.1
34 1 2 2 18.135 36.27 0.174 17.92 8 49.4 37.4
35 4 1 0 18.162 36.324 0.174 17.86 4 160.7 197.0
36 2 1 2 18.19 36.38 0.175 17.8 8 68.4 71.2
37 3 3 0 18.566 37.132 0.178 17.02 4 73.3 39.1
38 0 4 1 18.987 37.973 0.182 16.2 4 115.9 93.0
39 4 0 1 19.266 38.533 0.184 15.68 4 10.0 0.7
40 2 4 0 19.507 39.014 0.187 15.26 4 16.9 1.9
41 1 4 1 19.514 39.027 0.187 15.25 8 83.1 89.9
42 4 2 0 19.713 39.425 0.189 14.91 4 73.5 34.4
43 2 2 2 19.739 39.477 0.189 14.86 8 98.2 122.6
44 4 1 1 19.77 39.54 0.189 14.81 8 6.0 0.4
45 3 3 1 20.147 40.293 0.193 14.2 8 22.6 6.2
46 0 3 2 20.166 40.331 0.193 14.17 4 37.5 8.5
47 3 0 2 20.316 40.632 0.194 13.94 4 2.5 0.0
48 1 3 2 20.668 41.335 0.197 13.42 8 15.7 2.8
49 3 1 2 20.798 41.597 0.198 13.23 8 28.6 9.3
50 2 4 1 21.028 42.056 0.201 12.91 8 65.3 47.0
51 4 2 1 21.221 42.443 0.202 12.65 8 28.4 8.7
52 3 4 0 21.984 43.968 0.209 11.68 4 34.7 6.0
53 4 3 0 22.093 44.186 0.21 11.55 4 31.6 4.9
54 2 3 2 22.117 44.234 0.21 11.52 8 46.3 21.1
55 3 2 2 22.194 44.389 0.211 11.43 8 28.0 7.6
56 1 5 0 22.314 44.629 0.212 11.3 4 50.6 12.4
57 5 1 0 22.682 45.364 0.216 10.89 4 9.3 0.4
58 0 5 1 23.239 46.479 0.221 10.31 4 10.9 0.5
59 3 4 1 23.374 46.747 0.222 10.17 8 36.3 11.5
60 0 4 2 23.391 46.781 0.222 10.15 4 91.8 36.6
61 4 3 1 23.477 46.955 0.223 10.07 8 29.5 7.5
62 5 0 1 23.61 47.221 0.224 9.94 4 19.8 1.7
63 4 0 2 23.627 47.255 0.224 9.93 4 1.7 0.0
64 0 1 3 23.641 47.281 0.224 9.91 4 19.2 1.6
65 1 0 3 23.655 47.311 0.224 9.9 4 39.9 6.7
66 2 5 0 23.683 47.366 0.225 9.87 4 47.3 9.4
67 1 5 1 23.689 47.377 0.225 9.87 8 37.8 12.1
68 1 4 2 23.838 47.675 0.226 9.73 8 46.9 18.3
69 5 2 0 23.991 47.981 0.227 9.59 4 23.8 2.3
70 5 1 1 24.04 48.08 0.228 9.54 8 102.8 86.2
71 4 1 2 24.056 48.113 0.228 9.53 8 23.8 4.6
72 1 1 3 24.084 48.168 0.228 9.5 8 60.2 29.4
73 3 3 2 24.379 48.758 0.231 9.24 8 44.7 15.8
74 0 2 3 24.911 49.821 0.235 8.8 4 118.8 53.1
75 2 0 3 24.967 49.935 0.236 8.76 4 0.7 0.0
76 2 5 1 24.999 49.998 0.236 8.73 8 32.0 7.6
77 4 4 0 25.121 50.241 0.237 8.63 4 2.6 0.0
78 2 4 2 25.142 50.284 0.237 8.62 8 63.1 29.3
79 5 2 1 25.295 50.589 0.239 8.5 8 67.3 32.9
80 4 2 2 25.311 50.621 0.239 8.49 8 25.4 4.7
81 1 2 3 25.337 50.675 0.239 8.47 8 66.2 31.7
82 2 1 3 25.379 50.759 0.24 8.44 8 11.0 0.9
83 3 5 0 25.84 51.68 0.244 8.1 4 53.7 10.0
84 5 3 0 26.06 52.121 0.246 7.94 4 94.4 30.2
85 4 4 1 26.384 52.768 0.248 7.72 8 73.3 35.4
86 0 6 0 26.518 53.037 0.25 7.63 2 0.8 0.0
87 2 2 3 26.588 53.176 0.25 7.59 8 56.3 20.6
88 1 6 0 26.927 53.854 0.253 7.37 4 56.0 9.9
89 0 3 3 26.929 53.857 0.253 7.37 4 107.3 36.2
90 6 0 0 27.003 54.006 0.254 7.32 2 50.3 4.0
91 3 0 3 27.049 54.098 0.254 7.3 4 4.8 0.1
92 3 5 1 27.079 54.158 0.254 7.28 8 28.1 4.9
93 0 5 2 27.095 54.189 0.255 7.27 4 20.8 1.3
94 3 4 2 27.214 54.429 0.256 7.2 8 41.1 10.4
95 5 3 1 27.292 54.585 0.256 7.15 8 46.3 13.1
96 4 3 2 27.308 54.615 0.256 7.14 8 80.0 39.0
97 1 3 3 27.333 54.666 0.257 7.13 8 29.3 5.2
98 6 1 0 27.393 54.787 0.257 7.09 4 21.5 1.4
99 5 0 2 27.427 54.854 0.257 7.07 4 22.2 1.5
100 3 1 3 27.439 54.878 0.258 7.06 8 49.1 14.6
101 1 5 2 27.497 54.994 0.258 7.03 8 68.9 28.5
102 0 6 1 27.736 55.473 0.26 6.89 4 7.8 0.2
103 5 1 2 27.813 55.626 0.261 6.85 8 44.4 11.5
104 2 6 0 28.128 56.256 0.264 6.68 4 76.1 16.5
105 1 6 1 28.133 56.266 0.264 6.67 8 48.3 13.3
106 6 0 1 28.207 56.414 0.264 6.63 4 89.0 22.4
107 2 3 3 28.522 57.045 0.267 6.47 8 75.8 31.7
108 6 2 0 28.542 57.085 0.267 6.46 4 3.0 0.0
109 6 1 1 28.586 57.172 0.267 6.44 8 72.7 29.1
110 3 2 3 28.587 57.174 0.267 6.44 8 32.4 5.8
111 4 5 0 28.662 57.325 0.268 6.4 4 12.5 0.4
112 2 5 2 28.682 57.364 0.268 6.39 8 72.3 28.6
113 5 4 0 28.778 57.556 0.269 6.34 4 80.9 17.7
114 5 2 2 28.951 57.902 0.271 6.25 8 48.3 12.5
115 2 6 1 29.301 58.602 0.274 6.09 8 49.3 12.6
116 0 4 3 29.592 59.185 0.276 5.95 4 36.0 3.3
117 6 2 1 29.705 59.41 0.277 5.9 8 56.2 15.9
118 4 0 3 29.794 59.587 0.278 5.86 4 38.8 3.8
119 4 5 1 29.822 59.644 0.278 5.85 8 77.6 30.1
120 5 4 1 29.935 59.869 0.279 5.8 8 30.4 4.6
121 4 4 2 29.949 59.898 0.279 5.8 8 29.1 4.2
122 1 4 3 29.973 59.946 0.279 5.79 8 78.0 30.1
123 3 6 0 30.059 60.117 0.28 5.75 4 3.0 0.0
124 4 1 3 30.16 60.32 0.281 5.71 8 65.1 20.6
125 6 3 0 30.395 60.79 0.283 5.61 4 9.5 0.2
126 3 3 3 30.437 60.875 0.283 5.59 8 37.3 6.7
127 3 5 2 30.591 61.181 0.284 5.53 8 73.3 25.4
128 5 3 2 30.788 61.576 0.286 5.45 8 53.8 13.5
129 2 4 3 31.098 62.195 0.289 5.33 8 59.5 16.1
130 3 6 1 31.186 62.373 0.289 5.3 8 106.2 51.1
131 0 6 2 31.2 62.4 0.29 5.29 4 0.6 0.0
132 4 2 3 31.244 62.489 0.29 5.28 8 16.3 1.2
133 6 3 1 31.515 63.03 0.292 5.18 8 70.0 21.7
134 1 6 2 31.569 63.138 0.293 5.16 8 81.5 29.3
135 6 0 2 31.638 63.277 0.293 5.13 4 113.1 28.0
136 0 0 4 31.694 63.388 0.294 5.11 2 85.0 7.9
137 1 7 0 31.76 63.521 0.294 5.09 4 37.9 3.1
138 6 1 2 31.992 63.985 0.296 5.01 8 59.3 15.0
139 0 1 4 32.048 64.095 0.297 4.99 4 77.4 12.8
140 5 5 0 32.05 64.1 0.297 4.99 4 50.4 5.4
141 1 0 4 32.06 64.119 0.297 4.99 4 52.9 6.0
142 7 1 0 32.338 64.676 0.299 4.89 4 45.9 4.4
143 1 1 4 32.411 64.823 0.3 4.87 8 34.6 5.0
144 0 7 1 32.494 64.987 0.3 4.84 4 101.0 21.1
145 4 6 0 32.644 65.288 0.302 4.79 4 28.7 1.7
146 2 6 2 32.662 65.325 0.302 4.79 8 76.7 24.1
147 0 5 3 32.816 65.632 0.303 4.74 4 16.9 0.6
148 2 7 0 32.85 65.7 0.303 4.73 4 70.2 10.0
149 1 7 1 32.855 65.709 0.303 4.73 8 20.2 1.7
150 6 4 0 32.882 65.764 0.303 4.72 4 88.4 15.8
151 3 4 3 32.923 65.846 0.304 4.71 8 61.6 15.3
152 4 3 3 33.006 66.012 0.304 4.68 8 32.8 4.3
153 6 2 2 33.042 66.085 0.305 4.67 8 6.6 0.2
154 7 0 1 33.076 66.153 0.305 4.66 4 23.1 1.1
155 0 2 4 33.097 66.193 0.305 4.66 4 34.7 2.4
156 5 0 3 33.112 66.225 0.305 4.65 4 19.2 0.7
157 5 5 1 33.139 66.278 0.306 4.64 8 42.5 7.2
158 2 0 4 33.144 66.288 0.306 4.64 4 0.2 0.0
159 4 5 2 33.153 66.305 0.306 4.64 8 28.9 3.3
160 1 5 3 33.175 66.35 0.306 4.63 8 48.8 9.4
161 5 4 2 33.259 66.518 0.307 4.61 8 49.8 9.8
162 7 2 0 33.382 66.765 0.308 4.57 4 137.3 36.8
163 7 1 1 33.422 66.844 0.308 4.56 8 46.1 8.3
164 1 2 4 33.454 66.909 0.308 4.55 8 50.6 10.0
165 5 1 3 33.458 66.916 0.308 4.55 8 50.0 9.7
166 2 1 4 33.49 66.979 0.308 4.54 8 77.1 23.0
167 4 6 1 33.723 67.446 0.31 4.47 8 48.1 8.9
168 2 7 1 33.926 67.851 0.312 4.42 8 0.7 0.0
169 6 4 1 33.957 67.914 0.312 4.41 8 31.6 3.8
170 2 5 3 34.241 68.482 0.315 4.33 8 44.0 7.2
171 3 6 2 34.443 68.887 0.316 4.28 8 25.5 2.4
172 7 2 1 34.45 68.9 0.316 4.28 8 47.4 8.2
173 5 2 3 34.485 68.97 0.317 4.27 8 46.3 7.8
174 2 2 4 34.516 69.032 0.317 4.26 8 73.1 19.5
175 3 7 0 34.626 69.253 0.318 4.24 4 0.4 0.0
176 6 3 2 34.756 69.512 0.319 4.2 8 45.1 7.3
177 0 3 4 34.809 69.618 0.319 4.19 4 3.6 0.0
178 3 0 4 34.913 69.826 0.32 4.17 4 26.9 1.3
179 7 3 0 35.088 70.176 0.321 4.12 4 10.2 0.2
180 1 3 4 35.158 70.317 0.322 4.11 8 68.1 16.3
181 3 1 4 35.25 70.5 0.323 4.09 8 25.8 2.3
182 4 4 3 35.395 70.79 0.324 4.05 8 54.6 10.3
183 3 7 1 35.676 71.352 0.326 3.99 8 41.6 5.9
184 0 7 2 35.689 71.379 0.326 3.99 4 8.1 0.1
185 5 6 0 35.82 71.641 0.327 3.96 4 54.7 5.1
186 6 5 0 35.946 71.891 0.328 3.93 4 12.8 0.3
187 3 5 3 35.985 71.97 0.328 3.92 8 34.5 4.0
188 1 7 2 36.035 72.07 0.329 3.91 8 36.6 4.5
189 7 3 1 36.132 72.264 0.33 3.89 8 31.2 3.2
190 5 3 3 36.167 72.334 0.33 3.88 8 32.6 3.5
191 2 3 4 36.197 72.394 0.33 3.88 8 44.3 6.5
192 7 0 2 36.247 72.495 0.331 3.87 4 1.6 0.0
193 3 2 4 36.254 72.508 0.331 3.87 8 10.3 0.4
194 5 5 2 36.308 72.615 0.331 3.86 8 47.7 7.5
195 0 8 0 36.535 73.07 0.333 3.81 2 54.9 2.5
196 0 6 3 36.548 73.096 0.333 3.81 4 1.7 0.0
197 7 1 2 36.579 73.159 0.333 3.8 8 30.7 3.1
198 5 6 1 36.856 73.711 0.335 3.75 8 31.0 3.1
199 4 6 2 36.869 73.737 0.335 3.74 8 43.0 5.9
200 1 8 0 36.877 73.755 0.335 3.74 4 22.0 0.8
201 1 6 3 36.89 73.78 0.336 3.74 8 13.3 0.6
202 6 0 3 36.954 73.909 0.336 3.73 4 5.6 0.1
203 6 5 1 36.98 73.96 0.336 3.72 8 7.6 0.2
204 4 7 0 37.046 74.093 0.337 3.71 4 58.4 5.4
205 2 7 2 37.064 74.127 0.337 3.71 8 69.0 15.1
206 6 4 2 37.094 74.188 0.337 3.7 8 59.0 11.0
207 0 4 4 37.146 74.291 0.338 3.69 4 44.0 3.1
208 8 0 0 37.257 74.513 0.338 3.67 2 49.8 1.9
209 6 1 3 37.284 74.568 0.339 3.67 8 26.0 2.1
210 4 0 4 37.325 74.651 0.339 3.66 4 17.2 0.5
211 7 4 0 37.417 74.835 0.34 3.64 4 5.3 0.0
212 1 4 4 37.486 74.972 0.34 3.63 8 34.9 3.8
213 0 8 1 37.563 75.126 0.341 3.62 4 13.5 0.3
214 7 2 2 37.569 75.138 0.341 3.62 8 104.0 33.4
215 8 1 0 37.585 75.171 0.341 3.61 4 25.8 1.0
216 4 1 4 37.654 75.308 0.341 3.6 8 17.5 0.9
217 2 8 0 37.898 75.795 0.343 3.56 4 71.2 7.7
218 1 8 1 37.902 75.804 0.343 3.56 8 52.1 8.3
219 3 3 4 37.903 75.806 0.343 3.56 8 39.5 4.8
220 2 6 3 37.91 75.82 0.343 3.56 8 11.7 0.4
221 4 7 1 38.069 76.138 0.345 3.53 8 42.3 5.4
222 6 2 3 38.267 76.534 0.346 3.5 8 41.2 5.1
223 8 0 1 38.278 76.555 0.346 3.5 4 68.6 7.0
224 4 5 3 38.371 76.741 0.347 3.48 8 43.5 5.6
225 7 4 1 38.437 76.873 0.348 3.47 8 24.1 1.7
226 5 4 3 38.471 76.941 0.348 3.47 8 37.8 4.2
227 2 4 4 38.5 77.001 0.348 3.46 8 18.0 1.0
228 8 2 0 38.566 77.132 0.348 3.45 4 7.8 0.1
229 8 1 1 38.603 77.207 0.349 3.45 8 23.9 1.7
230 4 2 4 38.634 77.267 0.349 3.44 8 50.4 7.5
231 3 7 2 38.756 77.512 0.35 3.43 8 38.7 4.4
232 2 8 1 38.913 77.826 0.351 3.4 8 35.5 3.7
233 7 3 2 39.199 78.398 0.353 3.36 8 28.1 2.3
234 6 6 0 39.553 79.106 0.356 3.31 4 1.1 0.0
235 8 2 1 39.576 79.152 0.356 3.31 8 29.7 2.5
236 3 8 0 39.578 79.157 0.356 3.31 4 6.4 0.1
237 3 6 3 39.591 79.182 0.356 3.31 8 68.5 13.2
238 6 3 3 39.888 79.776 0.358 3.27 8 49.7 6.9
239 5 6 2 39.903 79.807 0.359 3.27 8 43.9 5.4
240 6 5 2 40.024 80.049 0.359 3.25 8 46.9 6.1
241 0 5 4 40.075 80.15 0.36 3.25 4 68.4 6.5
242 5 7 0 40.077 80.154 0.36 3.25 4 19.2 0.5
243 3 4 4 40.174 80.347 0.361 3.23 8 68.8 13.1
244 8 3 0 40.183 80.367 0.361 3.23 4 57.1 4.5
245 4 3 4 40.251 80.501 0.361 3.22 8 12.9 0.5
246 7 5 0 40.34 80.681 0.362 3.21 4 52.5 3.8
247 5 0 4 40.349 80.699 0.362 3.21 4 12.3 0.2
248 1 5 4 40.407 80.815 0.362 3.21 8 67.9 12.6
249 6 6 1 40.556 81.113 0.363 3.19 8 17.7 0.9
250 3 8 1 40.582 81.163 0.364 3.18 8 76.3 15.8
251 0 8 2 40.594 81.188 0.364 3.18 4 16.1 0.4
252 5 1 4 40.671 81.341 0.364 3.17 8 55.9 8.5
253 0 7 3 40.779 81.559 0.365 3.16 4 50.8 3.5
254 1 8 2 40.926 81.852 0.366 3.15 8 42.1 4.8
255 5 7 1 41.077 82.155 0.367 3.13 8 64.2 11.0
256 4 7 2 41.09 82.18 0.367 3.13 8 53.1 7.5
257 1 7 3 41.111 82.221 0.368 3.13 8 27.5 2.0
258 8 3 1 41.183 82.367 0.368 3.12 8 41.7 4.6
259 8 0 2 41.294 82.588 0.369 3.11 4 4.3 0.0
260 7 0 3 41.315 82.63 0.369 3.1 4 102.6 14.0
261 7 5 1 41.339 82.679 0.369 3.1 8 89.1 21.1
262 0 1 5 41.371 82.741 0.369 3.1 4 7.0 0.1
263 5 5 3 41.373 82.746 0.369 3.1 8 36.9 3.6
264 1 0 5 41.382 82.763 0.37 3.1 4 38.4 1.9
265 2 5 4 41.402 82.804 0.37 3.1 8 11.4 0.3
266 7 4 2 41.45 82.9 0.37 3.09 8 27.1 1.9
267 8 1 2 41.614 83.228 0.371 3.07 8 28.5 2.1
268 5 2 4 41.631 83.262 0.371 3.07 8 12.5 0.4
269 7 1 3 41.635 83.269 0.371 3.07 8 39.3 4.0
270 1 1 5 41.701 83.402 0.372 3.07 8 20.0 1.0
271 4 8 0 41.901 83.803 0.373 3.05 4 49.3 3.2
272 4 6 3 41.914 83.827 0.373 3.05 8 49.6 6.4
273 2 8 2 41.918 83.836 0.373 3.05 8 49.3 6.3
274 2 7 3 42.102 84.204 0.375 3.03 8 3.5 0.0
275 6 4 3 42.131 84.263 0.375 3.03 8 26.2 1.8
276 0 2 5 42.328 84.657 0.376 3.01 4 88.0 10.0
277 2 0 5 42.372 84.744 0.377 3.01 4 1.0 0.0
278 1 9 0 42.376 84.752 0.377 3.0 4 49.3 3.1
279 8 4 0 42.424 84.847 0.377 3.0 4 31.0 1.2
280 4 4 4 42.49 84.98 0.378 3.0 8 19.2 0.9
281 8 2 2 42.571 85.141 0.378 2.99 8 55.9 8.0
282 7 2 3 42.591 85.183 0.378 2.99 8 67.2 11.5
283 1 2 5 42.658 85.315 0.379 2.98 8 60.0 9.2
284 2 1 5 42.69 85.381 0.379 2.98 8 57.3 8.4
285 4 8 1 42.894 85.788 0.38 2.96 8 71.7 13.0
286 0 9 1 43.038 86.077 0.382 2.95 4 45.2 2.6
287 3 5 4 43.05 86.101 0.382 2.95 8 44.7 5.0
288 5 3 4 43.224 86.448 0.383 2.94 8 50.3 6.3
289 9 1 0 43.245 86.489 0.383 2.94 4 9.5 0.1
290 2 9 0 43.363 86.726 0.384 2.93 4 7.3 0.1
291 1 9 1 43.367 86.734 0.384 2.93 8 59.5 8.8
292 8 4 1 43.415 86.829 0.384 2.92 8 65.9 10.8
293 6 6 2 43.539 87.078 0.385 2.91 8 14.8 0.5
294 3 8 2 43.564 87.128 0.385 2.91 8 43.7 4.8
295 0 6 4 43.588 87.177 0.385 2.91 4 51.9 3.4
296 2 2 5 43.644 87.288 0.386 2.91 8 44.1 4.8
297 6 7 0 43.71 87.42 0.386 2.9 4 42.8 2.3
298 3 7 3 43.747 87.494 0.387 2.9 8 42.6 4.5
299 7 6 0 43.851 87.701 0.387 2.89 4 3.8 0.0
300 9 0 1 43.917 87.833 0.388 2.89 4 11.4 0.2
301 1 6 4 43.917 87.834 0.388 2.89 8 17.6 0.8
302 0 3 5 43.918 87.837 0.388 2.89 4 17.6 0.4
303 6 0 4 43.979 87.957 0.388 2.89 4 80.8 8.1
304 3 0 5 44.016 88.032 0.388 2.88 4 8.5 0.1
305 5 7 2 44.055 88.109 0.389 2.88 8 29.3 2.1
306 8 3 2 44.16 88.32 0.389 2.87 8 39.5 3.8
307 7 3 3 44.18 88.361 0.39 2.87 8 21.2 1.1
308 9 2 0 44.197 88.395 0.39 2.87 4 2.3 0.0
309 9 1 1 44.234 88.468 0.39 2.87 8 31.8 2.5
310 1 3 5 44.247 88.493 0.39 2.87 8 41.9 4.3
311 6 1 4 44.296 88.592 0.39 2.87 8 46.4 5.3
312 7 5 2 44.315 88.629 0.391 2.87 8 27.3 1.8
313 3 1 5 44.333 88.666 0.391 2.86 8 42.4 4.4
314 2 9 1 44.352 88.704 0.391 2.86 8 40.6 4.0
315 6 7 1 44.699 89.397 0.393 2.84 8 50.1 6.1
316 7 6 1 44.839 89.679 0.394 2.84 8 23.7 1.4
317 5 8 0 44.86 89.721 0.394 2.84 4 32.9 1.3
318 5 6 3 44.873 89.745 0.394 2.83 8 46.5 5.2
319 2 6 4 44.901 89.803 0.395 2.83 8 55.4 7.4
320 6 5 3 44.992 89.983 0.395 2.83 8 23.1 1.3
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 6.092 12.185 8.42782 47.5 7.8 7.8 5.6
2 0 2 0 8.559 17.118 6.01 28.0 4.6 4.6 5.6
3 1 0 1 8.719 17.438 5.90072 36.0 5.9 5.9 5.6
4 1 2 0 9.611 19.222 5.35726 353.0 57.8 58.0 5.6
5 1 1 1 9.722 19.444 5.29689 414.1 67.8 68.1 5.6
6 0 2 1 11.449 22.898 4.50614 20.8 3.4 3.4 5.6
7 2 0 1 11.56 23.12 4.46353 298.0 48.8 48.8 5.6
8 1 2 1 12.265 24.53 4.21054 610.7 100.0 100.0 5.6
9 2 1 1 12.343 24.686 4.18434 478.1 78.3 78.3 5.6
10 1 3 0 13.634 27.268 3.79459 25.6 4.2 4.2 5.6
11 3 1 0 13.822 27.644 3.74399 107.3 17.6 17.5 5.6
12 0 3 1 15.012 30.023 3.45331 162.5 26.6 26.5 5.6
13 0 0 2 15.23 30.459 3.405 132.1 21.6 21.5 5.6
14 1 3 1 15.655 31.31 3.31474 60.8 10.0 9.9 5.6
15 3 1 1 15.821 31.642 3.28085 8.2 1.3 1.3 5.6
16 1 0 2 15.865 31.73 3.27194 10.6 1.7 1.7 5.6
17 1 1 2 16.458 32.917 3.15707 10.9 1.8 1.8 5.6
18 2 3 1 17.457 34.914 2.98162 46.8 7.7 7.6 5.7
19 3 2 1 17.551 35.103 2.96609 21.1 3.5 3.4 5.7
20 4 1 0 18.162 36.324 2.86956 305.6 50.0 49.6 5.7
21 3 3 0 18.566 37.132 2.80927 39.1 6.4 6.3 5.7
22 0 4 1 18.987 37.973 2.74924 93.0 15.2 15.1 5.7
23 1 4 1 19.514 39.027 2.67776 91.8 15.0 14.8 5.7
24 2 2 2 19.739 39.477 2.64844 157.0 25.7 25.4 5.7
25 0 3 2 20.166 40.331 2.59462 14.7 2.4 2.4 5.7
26 3 1 2 20.798 41.597 2.51904 9.3 1.5 1.5 5.7
27 2 4 1 21.028 42.056 2.49273 47.0 7.7 7.6 5.7
28 4 2 1 21.221 42.443 2.47106 8.7 1.4 1.4 5.7
29 2 3 2 22.117 44.234 2.37575 26.1 4.3 4.2 5.7
30 3 2 2 22.194 44.389 2.36787 7.6 1.3 1.2 5.7
31 1 5 0 22.314 44.629 2.35577 12.4 2.0 2.0 5.7
32 0 4 2 23.391 46.781 2.25307 48.0 7.9 7.7 5.7
33 4 3 1 23.477 46.955 2.2452 7.5 1.2 1.2 5.7
34 1 0 3 23.655 47.311 2.22926 8.3 1.4 1.3 5.7
35 1 5 1 23.689 47.377 2.22633 21.5 3.5 3.4 5.7
36 1 4 2 23.838 47.675 2.21322 18.3 3.0 2.9 5.7
37 5 1 1 24.04 48.08 2.19569 90.8 14.9 14.5 5.7
38 1 1 3 24.084 48.168 2.19188 29.4 4.8 4.7 5.7
39 3 3 2 24.379 48.758 2.16695 15.8 2.6 2.5 5.7
40 0 2 3 24.911 49.821 2.12357 53.1 8.7 8.5 5.7
41 2 5 1 24.999 49.998 2.11654 7.6 1.3 1.2 5.7
42 2 4 2 25.142 50.284 2.10527 29.3 4.8 4.7 5.8
43 5 2 1 25.295 50.589 2.09341 37.6 6.2 6.0 5.8
44 1 2 3 25.337 50.675 2.09011 31.7 5.2 5.1 5.8
45 3 5 0 25.84 51.68 2.05216 10.0 1.6 1.6 5.8
46 5 3 0 26.06 52.121 2.03603 30.2 5.0 4.8 5.8
47 4 4 1 26.384 52.768 2.01282 35.4 5.8 5.6 5.8
48 2 2 3 26.588 53.176 1.99848 20.6 3.4 3.3 5.8
49 0 3 3 26.929 53.857 1.97504 46.1 7.6 7.3 5.8
50 3 5 1 27.079 54.158 1.96489 6.3 1.0 1.0 5.8
51 3 4 2 27.214 54.429 1.95586 10.4 1.7 1.7 5.8
52 4 3 2 27.308 54.615 1.9497 57.3 9.4 9.1 5.8
53 3 1 3 27.439 54.878 1.94109 16.0 2.6 2.5 5.8
54 1 5 2 27.497 54.994 1.93731 28.5 4.7 4.5 5.8
55 5 1 2 27.813 55.626 1.91702 11.5 1.9 1.8 5.8
56 2 6 0 28.128 56.256 1.89729 29.8 4.9 4.7 5.8
57 6 0 1 28.207 56.414 1.89241 22.4 3.7 3.6 5.8
58 2 3 3 28.522 57.045 1.87321 31.7 5.2 5.0 5.8
59 6 1 1 28.586 57.172 1.86938 34.8 5.7 5.5 5.8
60 2 5 2 28.682 57.364 1.86366 28.6 4.7 4.5 5.8
61 5 4 0 28.778 57.556 1.85798 17.7 2.9 2.8 5.8
62 5 2 2 28.951 57.902 1.84781 12.5 2.0 2.0 5.8
63 2 6 1 29.301 58.602 1.82769 12.6 2.1 2.0 5.8
64 6 2 1 29.705 59.41 1.80504 15.9 2.6 2.5 5.8
65 4 5 1 29.822 59.644 1.79861 33.8 5.5 5.3 5.8
66 5 4 1 29.935 59.869 1.79246 8.8 1.4 1.4 5.8
67 1 4 3 29.973 59.946 1.79039 30.1 4.9 4.7 5.8
68 4 1 3 30.16 60.32 1.78031 20.6 3.4 3.3 5.8
69 3 3 3 30.437 60.875 1.76563 6.7 1.1 1.0 5.8
70 3 5 2 30.591 61.181 1.75763 25.4 4.2 4.0 5.8
71 5 3 2 30.788 61.576 1.74745 13.5 2.2 2.1 5.8
72 2 4 3 31.098 62.195 1.73178 16.1 2.6 2.5 5.8
73 3 6 1 31.186 62.373 1.72735 51.1 8.4 8.0 5.8
74 6 3 1 31.515 63.03 1.71115 21.7 3.5 3.4 5.9
75 1 6 2 31.569 63.138 1.70852 29.3 4.8 4.6 5.9
76 6 0 2 31.638 63.277 1.70518 28.0 4.6 4.4 5.9
77 0 0 4 31.694 63.388 1.7025 7.9 1.3 1.2 5.9
78 6 1 2 31.992 63.985 1.68827 15.0 2.5 2.4 5.9
79 0 1 4 32.048 64.095 1.68568 24.2 4.0 3.8 5.9
80 0 7 1 32.494 64.987 1.66503 21.1 3.5 3.3 5.9
81 2 6 2 32.662 65.325 1.65737 25.8 4.2 4.0 5.9
82 2 7 0 32.85 65.7 1.64895 11.6 1.9 1.8 5.9
83 6 4 0 32.882 65.764 1.64752 15.8 2.6 2.5 5.9
84 3 4 3 32.923 65.846 1.64571 15.3 2.5 2.4 5.9
85 5 5 1 33.139 66.278 1.63619 10.5 1.7 1.6 5.9
86 1 5 3 33.175 66.35 1.63461 9.4 1.5 1.5 5.9
87 5 4 2 33.259 66.518 1.63097 9.8 1.6 1.5 5.9
88 7 2 0 33.382 66.765 1.62563 36.8 6.0 5.7 5.9
89 7 1 1 33.422 66.844 1.62391 8.3 1.4 1.3 5.9
90 1 2 4 33.454 66.909 1.62254 19.7 3.2 3.1 5.9
91 2 1 4 33.49 66.979 1.62103 23.0 3.8 3.6 5.9
92 4 6 1 33.723 67.446 1.61112 8.9 1.5 1.4 5.9
93 2 5 3 34.241 68.482 1.58965 7.2 1.2 1.1 5.9
94 7 2 1 34.45 68.9 1.5812 10.6 1.7 1.6 5.9
95 5 2 3 34.485 68.97 1.57978 7.8 1.3 1.2 5.9
96 2 2 4 34.516 69.032 1.57853 19.5 3.2 3.0 5.9
97 6 3 2 34.756 69.512 1.569 7.3 1.2 1.1 5.9
98 1 3 4 35.158 70.317 1.55332 16.3 2.7 2.5 5.9
99 4 4 3 35.395 70.79 1.54427 10.3 1.7 1.6 5.9
100 2 3 4 36.197 72.394 1.51458 6.5 1.1 1.0 5.9
101 5 5 2 36.308 72.615 1.51061 7.5 1.2 1.2 6.0
102 4 6 2 36.869 73.737 1.49081 9.8 1.6 1.5 6.0
103 2 7 2 37.064 74.127 1.48408 20.5 3.4 3.2 6.0
104 6 4 2 37.094 74.188 1.48304 11.0 1.8 1.7 6.0
105 7 2 2 37.569 75.138 1.46701 34.5 5.6 5.3 6.0
106 1 8 1 37.902 75.804 1.45604 21.2 3.5 3.2 6.0
107 8 0 1 38.278 76.555 1.44391 12.1 2.0 1.9 6.0
108 4 2 4 38.634 77.267 1.43265 7.5 1.2 1.1 6.0
109 3 6 3 39.591 79.182 1.40351 15.8 2.6 2.4 6.0
110 6 3 3 39.888 79.776 1.39478 12.3 2.0 1.9 6.0
111 0 5 4 40.075 80.15 1.38937 7.0 1.1 1.1 6.0
112 3 4 4 40.174 80.347 1.38653 17.6 2.9 2.7 6.0
113 1 5 4 40.407 80.815 1.37987 12.6 2.1 1.9 6.1
114 3 8 1 40.582 81.163 1.37497 16.2 2.7 2.5 6.1
115 5 1 4 40.671 81.341 1.37249 8.5 1.4 1.3 6.1
116 5 7 1 41.077 82.155 1.36127 18.6 3.0 2.8 6.1
117 7 5 1 41.339 82.679 1.35418 35.0 5.7 5.3 6.1
118 7 1 3 41.635 83.269 1.34631 6.6 1.1 1.0 6.1
119 2 8 2 41.918 83.836 1.33888 15.9 2.6 2.4 6.1
120 0 2 5 42.328 84.657 1.32832 10.0 1.6 1.5 6.1
121 7 2 3 42.591 85.183 1.32167 19.5 3.2 2.9 6.1
122 1 2 5 42.658 85.315 1.32001 9.2 1.5 1.4 6.1
123 2 1 5 42.69 85.381 1.31919 8.4 1.4 1.3 6.1
124 4 8 1 42.894 85.788 1.31414 13.0 2.1 1.9 6.1
125 3 5 4 43.05 86.101 1.31029 7.6 1.2 1.1 6.1
126 5 3 4 43.224 86.448 1.30606 6.5 1.1 1.0 6.1
127 1 9 1 43.367 86.734 1.30261 8.8 1.4 1.3 6.1
128 8 4 1 43.415 86.829 1.30146 10.8 1.8 1.6 6.1
129 3 8 2 43.564 87.128 1.2979 8.1 1.3 1.2 6.2
130 6 0 4 43.979 87.957 1.28812 8.1 1.3 1.2 6.2
131 1 3 5 44.247 88.493 1.28192 6.8 1.1 1.0 6.2
132 6 1 4 44.296 88.592 1.28079 7.1 1.2 1.1 6.2
133 3 1 5 44.333 88.666 1.27994 8.4 1.4 1.3 6.2
134 2 6 4 44.901 89.803 1.26714 12.7 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)
|