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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HOPEITE
4, analogue
CoZn(2)[PO(4)](2).4H(2)O
Orthorhombic P nma Z = 4
R =0.0334 NR =4659
11 .9 .9
Ref.Str.:
Wu Wen-Yuan et al. (2005)
* Acta Cryst., E61, i105-i107
R: N.A.D..
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.568 alpha = 90.0
b = 18.258 beta = 90.0
c = 5.025 gamma = 90.0
Unit cell volume (cub. angs.) = 969.58
Molar volume ( cub.cm/mol.) = 146.0
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.7621 0.75 0.4311 0.0 Co = 1.00
2 0.1425 0.5007 0.2071 0.0 Zn = 1.00
3 0.8971 0.5943 0.2749 0.0 P = 1.00
4 0.8602 0.6726 0.2154 0.0 O = 1.00
5 0.0244 0.5787 0.1428 0.0 O = 1.00
6 0.0998 0.4205 0.4298 0.0 O = 1.00
7 0.1988 0.4597 0.8592 0.0 O = 1.00
8 0.8936 0.75 0.7413 0.0 H(2)O = 1.00
9 0.8724 0.7801 0.8538 0.0 H = 1.00
10 0.6159 0.75 0.1516 0.0 H(2)O = 1.00
11 0.5714 0.7871 0.1097 0.0 H = 1.00
12 0.6643 0.6699 0.6645 0.0 H(2)O = 1.00
13 0.652 0.6263 0.5604 0.0 H = 1.00
14 0.7135 0.6583 0.8199 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.7621 0.75 0.4311
2 2 0.1425 0.5007 0.2071
3 3 0.8971 0.5943 0.2749
4 4 0.8602 0.6726 0.2154
5 5 0.0244 0.5787 0.1428
6 6 0.0998 0.4205 0.4298
7 7 0.1988 0.4597 0.8592
8 8 0.8936 0.75 0.7413
9 9 0.8724 0.7801 0.8538
10 10 0.6159 0.75 0.1516
11 11 0.5714 0.7871 0.1097
12 12 0.6643 0.6699 0.6645
13 13 0.652 0.6263 0.5604
14 14 0.7135 0.6583 0.8199
15 1 0.7379 0.25 0.9311
16 2 0.3575 0.4993 0.7071
17 3 0.6029 0.4057 0.7749
18 4 0.6398 0.3274 0.7154
19 5 0.4756 0.4213 0.6428
20 6 0.4002 0.5795 0.9298
21 7 0.3012 0.5403 0.3592
22 8 0.6064 0.25 0.2413
23 9 0.6276 0.2199 0.3538
24 10 0.8841 0.25 0.6516
25 11 0.9286 0.2129 0.6097
26 12 0.8357 0.3301 0.1645
27 13 0.848 0.3737 0.0604
28 14 0.7865 0.3417 0.3199
29 2 0.3575 0.0007 0.7071
30 3 0.6029 0.0943 0.7749
31 4 0.6398 0.1726 0.7154
32 5 0.4756 0.0787 0.6428
33 6 0.4002 0.9205 0.9298
34 7 0.3012 0.9597 0.3592
35 9 0.6276 0.2801 0.3538
36 11 0.9286 0.2871 0.6097
37 12 0.8357 0.1699 0.1645
38 13 0.848 0.1263 0.0604
39 14 0.7865 0.1583 0.3199
40 2 0.1425 0.9993 0.2071
41 3 0.8971 0.9057 0.2749
42 4 0.8602 0.8274 0.2154
43 5 0.0244 0.9213 0.1428
44 6 0.0998 0.0795 0.4298
45 7 0.1988 0.0403 0.8592
46 9 0.8724 0.7199 0.8538
47 11 0.5714 0.7129 0.1097
48 12 0.6643 0.8301 0.6645
49 13 0.652 0.8737 0.5604
50 14 0.7135 0.8417 0.8199
51 1 0.2621 0.75 0.0689
52 2 0.6425 0.5007 0.2929
53 3 0.3971 0.5943 0.2251
54 4 0.3602 0.6726 0.2846
55 5 0.5244 0.5787 0.3572
56 6 0.5998 0.4205 0.0702
57 7 0.6988 0.4597 0.6408
58 8 0.3936 0.75 0.7587
59 9 0.3724 0.7801 0.6462
60 10 0.1159 0.75 0.3484
61 11 0.0714 0.7871 0.3903
62 12 0.1643 0.6699 0.8355
63 13 0.152 0.6263 0.9396
64 14 0.2135 0.6583 0.6801
65 1 0.2379 0.25 0.5689
66 2 0.8575 0.4993 0.7929
67 3 0.1029 0.4057 0.7251
68 4 0.1398 0.3274 0.7846
69 5 0.9756 0.4213 0.8572
70 6 0.9002 0.5795 0.5702
71 7 0.8012 0.5403 0.1408
72 8 0.1064 0.25 0.2587
73 9 0.1276 0.2199 0.1462
74 10 0.3841 0.25 0.8484
75 11 0.4286 0.2129 0.8903
76 12 0.3357 0.3301 0.3355
77 13 0.348 0.3737 0.4396
78 14 0.2865 0.3417 0.1801
79 2 0.8575 0.0007 0.7929
80 3 0.1029 0.0943 0.7251
81 4 0.1398 0.1726 0.7846
82 5 0.9756 0.0787 0.8572
83 6 0.9002 0.9205 0.5702
84 7 0.8012 0.9597 0.1408
85 9 0.1276 0.2801 0.1462
86 11 0.4286 0.2871 0.8903
87 12 0.3357 0.1699 0.3355
88 13 0.348 0.1263 0.4396
89 14 0.2865 0.1583 0.1801
90 2 0.6425 0.9993 0.2929
91 3 0.3971 0.9057 0.2251
92 4 0.3602 0.8274 0.2846
93 5 0.5244 0.9213 0.3572
94 6 0.5998 0.0795 0.0702
95 7 0.6988 0.0403 0.6408
96 9 0.3724 0.7199 0.6462
97 11 0.0714 0.7129 0.3903
98 12 0.1643 0.8301 0.8355
99 13 0.152 0.8737 0.9396
100 14 0.2135 0.8417 0.6801
X-ray density (g/cm cub.) = 3.15
MU (1/cm) = 97.435 Mass attenuation coefficient (cm**2/g) = 30.946
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Co 2.736 6
2.0602 4
2.0884 8
2.0879 10
2.1408 12
2.0602 4
2.1408 12
2 Zn 2.796 4
1.9205 5
1.8974 6
1.9931 7
1.9796 7
3 P 2.4 4
1.5116 4
1.5276 5
1.5089 6
1.566 7
4 O 3.432 9
2.4676 5
3.0171 8
2.7919 8
2.9602 10
3.0629 12
2.8245 4
3.1214 10
2.5002 6
2.5227 7
5 O 3.432 9
2.4676 4
3.3244 6
3.1858 7
3.1982 7
2.7101 12
3.2521 5
2.5171 6
3.1626 6
2.4603 7
6 O 3.432 9
3.3244 5
2.5022 7
3.1347 7
3.0729 7
2.5002 4
2.5171 5
3.1626 5
3.2306 8
3.0273 12
7 O 3.432 9
3.1858 5
3.1347 6
2.5022 6
3.1982 5
3.0729 6
3.1072 7
3.1072 7
2.5227 4
2.4603 5
8 H(2)O 3.6 12
2.7919 4
3.0171 4
3.5866 10
2.8566 12
2.7919 4
3.0171 4
2.8566 12
3.0687 10
3.2477 12
3.2306 6
3.2306 6
3.2477 12
9 H 1.8 1
0.8196 8
10 H(2)O 3.6 12
2.9602 4
3.5866 8
3.0073 12
2.8969 12
2.9602 4
3.0073 12
2.8969 12
3.1214 4
3.4335 5
3.0687 8
3.1214 4
3.4335 5
11 H 1.8 1
0.8511 10
12 H(2)O 3.6 10
3.4572 4
3.0629 4
2.8566 8
2.8969 10
3.0073 10
3.506 6
2.9253 12
2.7101 5
3.2477 8
3.0273 6
13 H 1.8 1
0.9612 12
14 H 1.8 1
0.9617 12
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 0 2 0 5.623 11.246 0.055 205.36 2 147.3 948.0
2 2 0 0 9.746 19.492 0.095 66.88 2 124.4 220.1
3 2 1 0 10.15 20.3 0.099 61.49 4 97.0 246.2
4 0 1 1 10.639 21.278 0.103 55.77 4 113.7 306.9
5 2 2 0 11.279 22.558 0.109 49.39 4 67.9 96.9
6 0 4 0 11.301 22.602 0.11 49.19 2 238.2 593.6
7 1 0 1 11.367 22.735 0.11 48.59 4 32.4 21.7
8 1 1 1 11.718 23.436 0.114 45.6 8 101.6 400.3
9 1 2 1 12.716 25.431 0.123 38.42 8 47.3 73.1
10 2 3 0 12.954 25.909 0.125 36.94 4 125.5 247.5
11 0 3 1 13.346 26.693 0.129 34.68 4 106.7 167.9
12 2 0 1 14.22 28.439 0.137 30.32 4 71.5 66.0
13 1 3 1 14.233 28.466 0.137 30.26 8 48.5 60.5
14 2 1 1 14.506 29.012 0.14 29.06 8 3.4 0.3
15 2 4 0 15.008 30.016 0.145 27.02 4 173.8 347.1
16 2 2 1 15.335 30.67 0.148 25.79 8 163.6 587.8
17 1 4 1 16.137 32.274 0.155 23.11 8 21.2 8.8
18 2 3 1 16.634 33.267 0.16 21.64 8 72.6 97.2
19 0 6 0 17.094 34.188 0.164 20.39 2 12.6 0.7
20 2 5 0 17.323 34.645 0.166 19.81 4 77.0 49.9
21 0 5 1 17.626 35.251 0.169 19.08 4 103.0 86.1
22 3 0 1 18.065 36.13 0.173 18.07 4 41.8 13.4
23 3 1 1 18.297 36.594 0.175 17.58 8 57.0 48.6
24 2 4 1 18.314 36.629 0.176 17.54 8 302.0 1361.5
25 1 5 1 18.325 36.65 0.176 17.52 8 50.0 37.3
26 3 2 1 18.978 37.956 0.182 16.22 8 51.7 36.9
27 4 0 0 19.789 39.578 0.189 14.78 2 273.8 235.6
28 2 6 0 19.828 39.656 0.19 14.72 4 81.9 42.0
29 4 1 0 20.004 40.007 0.191 14.43 4 13.5 1.1
30 3 3 1 20.069 40.139 0.192 14.32 8 167.3 341.3
31 2 5 1 20.298 40.596 0.194 13.97 8 57.1 38.8
32 4 2 0 20.637 41.274 0.197 13.46 4 188.5 203.4
33 1 6 1 20.726 41.453 0.198 13.33 8 81.5 75.4
34 0 0 2 20.855 41.71 0.199 13.15 2 273.3 209.0
35 1 0 2 21.465 42.929 0.205 12.33 4 39.9 8.4
36 3 4 1 21.52 43.039 0.205 12.26 8 37.4 14.6
37 4 3 0 21.659 43.318 0.206 12.08 4 40.2 8.3
38 1 1 2 21.666 43.332 0.206 12.07 8 6.8 0.5
39 0 2 2 21.669 43.338 0.206 12.07 4 181.7 169.5
40 1 2 2 22.26 44.521 0.212 11.36 8 15.0 2.2
41 2 7 0 22.485 44.969 0.214 11.1 4 62.0 18.2
42 4 0 1 22.488 44.977 0.214 11.1 4 19.1 1.7
43 2 6 1 22.524 45.048 0.214 11.06 8 110.9 115.7
44 4 1 1 22.682 45.365 0.216 10.89 8 4.1 0.2
45 0 7 1 22.729 45.458 0.216 10.84 4 57.2 15.1
46 4 4 0 23.028 46.055 0.219 10.52 4 54.7 13.4
47 0 8 0 23.074 46.148 0.219 10.47 2 184.0 75.4
48 2 0 2 23.216 46.432 0.22 10.33 4 18.5 1.5
49 1 3 2 23.225 46.449 0.22 10.32 8 79.5 55.5
50 4 2 1 23.256 46.513 0.221 10.29 8 100.8 88.9
51 3 5 1 23.277 46.553 0.221 10.27 8 36.5 11.7
52 1 7 1 23.299 46.599 0.221 10.24 8 97.5 82.9
53 2 1 2 23.405 46.811 0.222 10.14 8 53.2 24.4
54 2 2 2 23.966 47.932 0.227 9.61 8 79.6 51.8
55 0 4 2 23.977 47.954 0.227 9.6 4 72.7 21.6
56 4 3 1 24.19 48.38 0.229 9.41 8 52.5 22.1
57 1 4 2 24.525 49.05 0.232 9.12 8 114.7 102.1
58 4 5 0 24.7 49.401 0.234 8.97 4 70.2 18.8
59 2 3 2 24.879 49.758 0.235 8.83 8 35.2 9.3
60 2 7 1 24.95 49.9 0.236 8.77 8 5.1 0.2
61 2 8 0 25.272 50.544 0.239 8.52 4 115.0 47.9
62 3 6 1 25.294 50.589 0.239 8.5 8 130.8 123.8
63 4 4 1 25.453 50.906 0.24 8.38 8 38.6 10.6
64 3 0 2 25.93 51.861 0.244 8.03 4 16.0 0.9
65 1 8 1 26.02 52.041 0.245 7.97 8 6.3 0.3
66 3 1 2 26.105 52.21 0.246 7.91 8 50.6 17.2
67 2 4 2 26.118 52.236 0.246 7.9 8 10.2 0.7
68 1 5 2 26.126 52.252 0.246 7.9 8 35.0 8.3
69 3 2 2 26.623 53.246 0.25 7.56 8 142.3 130.3
70 4 6 0 26.638 53.276 0.251 7.56 4 194.5 121.7
71 4 5 1 27.014 54.028 0.254 7.32 8 63.0 24.7
72 5 0 1 27.329 54.659 0.257 7.13 4 65.0 12.8
73 3 3 2 27.472 54.944 0.258 7.04 8 13.2 1.1
74 0 6 2 27.495 54.99 0.258 7.03 4 181.3 98.3
75 5 1 1 27.498 54.995 0.258 7.03 8 65.1 25.4
76 3 7 1 27.538 55.077 0.258 7.01 8 63.2 23.8
77 2 8 1 27.551 55.102 0.259 7.0 8 227.7 308.8
78 2 5 2 27.652 55.305 0.259 6.94 8 10.4 0.6
79 1 6 2 27.993 55.986 0.262 6.75 8 14.9 1.3
80 5 2 1 27.998 55.996 0.262 6.75 8 53.5 16.4
81 2 9 0 28.183 56.366 0.264 6.65 4 67.8 13.0
82 0 9 1 28.391 56.782 0.266 6.54 4 23.1 1.5
83 3 4 2 28.632 57.264 0.268 6.41 8 26.6 3.9
84 4 7 0 28.809 57.618 0.269 6.32 4 30.9 2.6
85 5 3 1 28.82 57.639 0.269 6.32 8 54.9 16.2
86 4 6 1 28.842 57.684 0.27 6.31 8 41.8 9.4
87 1 9 1 28.879 57.758 0.27 6.29 8 20.0 2.1
88 0 10 0 29.334 58.668 0.274 6.07 2 102.7 13.6
89 4 0 2 29.425 58.85 0.275 6.03 4 269.9 186.9
90 2 6 2 29.454 58.908 0.275 6.02 8 117.8 71.0
91 4 1 2 29.585 59.171 0.276 5.96 8 33.8 5.8
92 5 4 1 29.946 59.891 0.279 5.8 8 42.9 9.1
93 3 8 1 29.984 59.968 0.279 5.78 8 17.8 1.6
94 4 2 2 30.063 60.127 0.28 5.75 8 51.6 13.0
95 3 5 2 30.08 60.16 0.28 5.74 8 6.1 0.2
96 1 7 2 30.099 60.199 0.28 5.73 8 19.9 1.9
97 2 9 1 30.313 60.625 0.282 5.64 8 86.2 35.6
98 6 0 0 30.519 61.039 0.284 5.56 2 27.2 0.9
99 6 1 0 30.676 61.353 0.285 5.49 4 33.6 2.6
100 4 3 2 30.85 61.7 0.287 5.43 8 7.4 0.3
101 4 7 1 30.912 61.823 0.287 5.4 8 6.3 0.2
102 6 2 0 31.144 62.289 0.289 5.31 4 146.7 48.6
103 4 8 0 31.191 62.383 0.29 5.29 4 89.7 18.1
104 2 10 0 31.22 62.439 0.29 5.28 4 88.5 17.6
105 5 5 1 31.357 62.713 0.291 5.23 8 83.9 31.3
106 2 7 2 31.499 62.999 0.292 5.18 8 36.5 5.9
107 3 6 2 31.796 63.591 0.295 5.08 8 88.3 33.7
108 1 10 1 31.875 63.749 0.295 5.05 8 20.7 1.8
109 6 3 0 31.916 63.831 0.296 5.03 4 95.7 19.6
110 4 4 2 31.933 63.865 0.296 5.03 8 150.8 97.4
111 0 8 2 31.97 63.94 0.296 5.02 4 92.8 18.4
112 1 8 2 32.425 64.85 0.3 4.86 8 151.3 94.8
113 0 1 3 32.429 64.857 0.3 4.86 4 25.6 1.4
114 6 0 1 32.556 65.112 0.301 4.82 4 103.4 22.0
115 3 9 1 32.618 65.236 0.301 4.8 8 100.9 41.6
116 6 1 1 32.707 65.415 0.302 4.77 8 44.6 8.1
117 1 0 3 32.729 65.459 0.302 4.77 4 110.7 24.8
118 1 1 3 32.88 65.761 0.303 4.72 8 17.6 1.2
119 6 4 0 32.979 65.957 0.304 4.69 4 44.5 3.9
120 5 6 1 33.034 66.068 0.305 4.67 8 43.1 7.4
121 6 2 1 33.159 66.319 0.306 4.64 8 98.2 38.1
122 4 8 1 33.205 66.41 0.306 4.62 8 98.3 38.0
123 2 10 1 33.232 66.465 0.306 4.62 8 101.6 40.6
124 4 5 2 33.296 66.592 0.307 4.6 8 8.8 0.3
125 1 2 3 33.331 66.662 0.307 4.59 8 87.8 30.1
126 5 0 2 33.574 67.149 0.309 4.52 4 32.5 2.0
127 0 3 3 33.632 67.265 0.31 4.5 4 154.0 45.4
128 5 1 2 33.723 67.447 0.31 4.47 8 0.0 0.0
129 3 7 2 33.76 67.519 0.311 4.46 8 47.4 8.5
130 2 8 2 33.771 67.542 0.311 4.46 8 29.7 3.3
131 4 9 0 33.772 67.545 0.311 4.46 4 64.7 7.9
132 6 3 1 33.906 67.812 0.312 4.42 8 5.6 0.1
133 2 0 3 34.069 68.138 0.313 4.38 4 23.9 1.1
134 1 3 3 34.076 68.152 0.313 4.38 8 28.7 3.1
135 5 2 2 34.169 68.338 0.314 4.35 8 142.6 75.3
136 2 1 3 34.217 68.434 0.314 4.34 8 66.0 16.1
137 6 5 0 34.32 68.641 0.315 4.31 4 46.8 4.0
138 2 11 0 34.392 68.784 0.316 4.3 4 9.0 0.1
139 0 11 1 34.578 69.156 0.317 4.25 4 0.5 0.0
140 2 2 3 34.659 69.319 0.318 4.23 8 71.7 18.5
141 5 3 2 34.905 69.81 0.32 4.17 8 45.6 7.4
142 4 6 2 34.925 69.85 0.32 4.16 8 67.2 16.0
143 6 4 1 34.938 69.877 0.32 4.16 8 216.3 165.7
144 1 9 2 34.958 69.916 0.32 4.15 8 37.5 5.0
145 5 7 1 34.963 69.925 0.32 4.15 8 71.8 18.2
146 1 11 1 35.016 70.032 0.321 4.14 8 79.2 22.1
147 1 4 3 35.106 70.212 0.321 4.12 8 59.7 12.5
148 2 3 3 35.391 70.782 0.324 4.05 8 39.5 5.4
149 3 10 1 35.436 70.872 0.324 4.04 8 29.9 3.1
150 4 9 1 35.711 71.422 0.326 3.98 8 50.7 8.7
151 5 4 2 35.924 71.848 0.328 3.94 8 49.0 8.0
152 6 6 0 35.928 71.856 0.328 3.93 4 268.6 120.8
153 3 8 2 35.959 71.918 0.328 3.93 8 22.9 1.8
154 0 5 3 35.98 71.96 0.328 3.92 4 95.0 15.1
155 0 12 0 36.007 72.013 0.329 3.92 2 378.2 119.2
156 6 5 1 36.246 72.492 0.331 3.87 8 5.0 0.1
157 3 0 3 36.249 72.499 0.331 3.87 4 131.1 28.3
158 2 9 2 36.259 72.518 0.331 3.87 8 35.2 4.1
159 2 11 1 36.316 72.632 0.331 3.85 8 5.7 0.1
160 3 1 3 36.393 72.787 0.332 3.84 8 22.2 1.6
161 2 4 3 36.404 72.809 0.332 3.84 8 188.2 115.6
162 1 5 3 36.411 72.822 0.332 3.83 8 52.9 9.1
163 4 10 0 36.548 73.097 0.333 3.81 4 231.0 86.4
164 4 7 2 36.808 73.615 0.335 3.76 8 41.9 5.6
165 3 2 3 36.824 73.649 0.335 3.75 8 83.9 22.5
166 5 8 1 37.131 74.262 0.337 3.7 8 60.5 11.5
167 5 5 2 37.217 74.435 0.338 3.68 8 33.0 3.4
168 0 10 2 37.271 74.543 0.339 3.67 4 197.3 60.8
169 3 3 3 37.538 75.077 0.341 3.62 8 37.0 4.2
170 2 5 3 37.691 75.383 0.342 3.6 8 72.2 16.0
171 1 10 2 37.696 75.393 0.342 3.59 8 59.3 10.8
172 2 12 0 37.717 75.435 0.342 3.59 4 44.6 3.0
173 6 7 0 37.79 75.581 0.343 3.58 4 25.9 1.0
174 6 6 1 37.819 75.638 0.343 3.57 8 110.2 36.9
175 1 6 3 37.982 75.963 0.344 3.55 8 95.8 27.7
176 7 0 1 38.216 76.433 0.346 3.51 4 91.9 12.6
177 1 12 1 38.319 76.638 0.347 3.49 8 10.0 0.3
178 6 0 2 38.33 76.66 0.347 3.49 4 108.7 17.6
179 7 1 1 38.358 76.715 0.347 3.49 8 44.4 5.9
180 3 9 2 38.388 76.775 0.347 3.48 8 25.4 1.9
181 4 10 1 38.428 76.857 0.347 3.48 8 132.0 51.5
182 3 11 1 38.443 76.887 0.348 3.47 8 46.2 6.3
183 6 1 2 38.471 76.942 0.348 3.47 8 63.5 11.9
184 3 4 3 38.53 77.06 0.348 3.46 8 106.1 33.2
185 5 6 2 38.776 77.553 0.35 3.42 8 110.6 35.6
186 7 2 1 38.781 77.562 0.35 3.42 8 1.0 0.0
187 6 2 2 38.894 77.788 0.351 3.4 8 32.8 3.1
188 4 8 2 38.936 77.873 0.351 3.4 8 166.7 80.4
189 2 10 2 38.962 77.924 0.351 3.39 8 50.9 7.5
190 4 0 3 39.219 78.437 0.353 3.36 4 118.3 20.0
191 2 6 3 39.244 78.489 0.354 3.35 8 142.9 58.3
192 4 1 3 39.359 78.718 0.355 3.34 8 106.4 32.2
193 0 7 3 39.393 78.786 0.355 3.33 4 36.5 1.9
194 7 3 1 39.483 78.966 0.355 3.32 8 16.9 0.8
195 4 11 0 39.525 79.05 0.356 3.32 4 5.1 0.0
196 5 9 1 39.534 79.068 0.356 3.32 8 44.9 5.7
197 2 12 1 39.579 79.157 0.356 3.31 8 104.8 30.9
198 6 3 2 39.595 79.191 0.356 3.31 8 3.5 0.0
199 6 7 1 39.651 79.301 0.357 3.3 8 53.6 8.1
200 4 2 3 39.779 79.558 0.358 3.28 8 68.0 12.9
201 3 5 3 39.794 79.588 0.358 3.28 8 32.7 3.0
202 1 7 3 39.811 79.622 0.358 3.28 8 0.8 0.0
203 6 8 0 39.902 79.804 0.359 3.27 4 6.3 0.1
204 7 4 1 40.461 80.921 0.363 3.2 8 44.9 5.5
205 4 3 3 40.477 80.953 0.363 3.2 8 36.9 3.7
206 6 4 2 40.572 81.145 0.364 3.19 8 122.0 40.3
207 5 7 2 40.596 81.191 0.364 3.18 8 5.9 0.1
208 1 11 2 40.646 81.293 0.364 3.18 8 15.8 0.7
209 3 10 2 41.046 82.093 0.367 3.13 8 94.4 23.8
210 2 7 3 41.058 82.116 0.367 3.13 8 63.0 10.6
211 2 13 0 41.222 82.445 0.368 3.11 4 66.6 5.9
212 4 9 2 41.309 82.618 0.369 3.11 8 3.4 0.0
213 3 6 3 41.325 82.65 0.369 3.1 8 167.4 74.0
214 4 11 1 41.364 82.728 0.369 3.1 8 55.2 8.0
215 0 13 1 41.397 82.795 0.37 3.1 4 94.4 11.8
216 4 4 3 41.449 82.898 0.37 3.09 8 35.0 3.2
217 3 12 1 41.656 83.311 0.372 3.07 8 4.2 0.0
218 7 5 1 41.71 83.42 0.372 3.07 8 67.8 12.0
219 6 8 1 41.737 83.475 0.372 3.06 8 156.9 64.2
220 1 13 1 41.811 83.622 0.373 3.06 8 71.2 13.2
221 6 5 2 41.821 83.642 0.373 3.05 8 5.2 0.1
222 2 11 2 41.888 83.776 0.373 3.05 8 14.6 0.6
223 1 8 3 41.896 83.792 0.373 3.05 8 17.2 0.8
224 5 10 1 42.175 84.351 0.375 3.02 8 8.6 0.2
225 6 9 0 42.263 84.525 0.376 3.01 4 128.2 21.1
226 8 0 0 42.618 85.236 0.379 2.98 2 192.6 23.5
227 5 8 2 42.673 85.346 0.379 2.98 8 54.1 7.4
228 4 5 3 42.693 85.386 0.379 2.98 8 56.9 8.2
229 4 12 0 42.718 85.437 0.379 2.98 4 170.4 36.8
230 8 1 0 42.756 85.512 0.379 2.97 4 101.6 13.1
231 5 0 3 42.95 85.9 0.381 2.96 4 59.3 4.4
232 2 13 1 43.047 86.094 0.382 2.95 8 2.8 0.0
233 5 1 3 43.088 86.176 0.382 2.95 8 10.5 0.3
234 3 7 3 43.121 86.243 0.382 2.94 8 22.1 1.2
235 2 8 3 43.132 86.264 0.382 2.94 8 142.9 51.2
236 8 2 0 43.17 86.339 0.382 2.94 4 18.0 0.4
237 7 6 1 43.229 86.458 0.383 2.94 8 9.2 0.2
238 0 14 0 43.303 86.607 0.383 2.93 2 10.6 0.1
239 6 6 2 43.339 86.679 0.384 2.93 8 96.7 23.3
240 0 12 2 43.415 86.829 0.384 2.92 4 158.9 31.4
241 5 2 3 43.501 87.003 0.385 2.92 8 9.3 0.2
242 7 0 2 43.725 87.451 0.386 2.9 4 40.3 2.0
243 1 12 2 43.825 87.651 0.387 2.9 8 93.7 21.6
244 0 9 3 43.829 87.658 0.387 2.9 4 141.4 24.6
245 8 3 0 43.858 87.716 0.387 2.89 4 74.7 6.9
246 7 1 2 43.863 87.726 0.387 2.89 8 15.4 0.6
247 4 10 2 43.932 87.864 0.388 2.89 8 96.8 23.0
248 3 11 2 43.946 87.893 0.388 2.89 8 46.2 5.2
249 6 9 1 44.082 88.164 0.389 2.88 8 6.9 0.1
250 5 3 3 44.189 88.379 0.39 2.87 8 21.4 1.1
251 4 6 3 44.208 88.416 0.39 2.87 8 23.2 1.3
252 1 9 3 44.239 88.479 0.39 2.87 8 49.3 5.9
253 7 2 2 44.276 88.551 0.39 2.87 8 36.7 3.3
254 8 0 1 44.436 88.872 0.391 2.86 4 142.3 24.6
255 4 12 1 44.536 89.073 0.392 2.85 8 41.3 4.1
256 8 1 1 44.574 89.147 0.392 2.85 8 56.2 7.7
257 8 4 0 44.821 89.642 0.394 2.84 4 117.7 16.7
258 6 10 0 44.879 89.759 0.394 2.83 4 90.0 9.8
259 2 14 0 44.946 89.892 0.395 2.83 4 71.8 6.2
260 7 3 2 44.963 89.927 0.395 2.83 8 23.0 1.3
261 8 2 1 44.986 89.973 0.395 2.83 8 157.2 59.5
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 0 2 0 5.623 11.246 9.129 948.0 65.5 66.7 5.6
2 2 0 0 9.746 19.492 5.284 220.1 15.2 15.4 5.6
3 2 1 0 10.15 20.3 5.07571 246.2 17.0 17.2 5.6
4 0 1 1 10.639 21.278 4.84486 306.9 21.2 21.5 5.6
5 0 4 0 11.301 22.602 4.5645 690.5 47.7 48.3 5.6
6 1 0 1 11.367 22.735 4.5381 21.7 1.5 1.5 5.6
7 1 1 1 11.718 23.436 4.4041 400.3 27.7 28.0 5.6
8 1 2 1 12.716 25.431 4.06369 73.1 5.0 5.1 5.6
9 2 3 0 12.954 25.909 3.98999 247.5 17.1 17.3 5.6
10 0 3 1 13.346 26.693 3.87488 167.9 11.6 11.7 5.6
11 2 0 1 14.22 28.439 3.64133 126.5 8.7 8.8 5.6
12 2 4 0 15.008 30.016 3.45418 347.1 24.0 24.1 5.6
13 2 2 1 15.335 30.67 3.3822 587.8 40.6 40.8 5.6
14 2 3 1 16.634 33.267 3.12474 97.2 6.7 6.7 5.6
15 2 5 0 17.323 34.645 3.00406 49.9 3.5 3.5 5.7
16 0 5 1 17.626 35.251 2.954 86.1 5.9 6.0 5.7
17 2 4 1 18.314 36.629 2.84652 1447.4 100.0 100.0 5.7
18 3 2 1 18.978 37.956 2.75045 36.9 2.5 2.5 5.7
19 4 0 0 19.789 39.578 2.642 235.6 16.3 16.2 5.7
20 2 6 0 19.828 39.656 2.63698 42.0 2.9 2.9 5.7
21 3 3 1 20.069 40.139 2.60655 341.3 23.6 23.5 5.7
22 2 5 1 20.298 40.596 2.57843 38.8 2.7 2.7 5.7
23 4 2 0 20.637 41.274 2.53786 203.4 14.1 14.0 5.7
24 1 6 1 20.726 41.453 2.5274 75.4 5.2 5.2 5.7
25 0 0 2 20.855 41.71 2.5125 209.0 14.4 14.4 5.7
26 3 4 1 21.52 43.039 2.43841 14.6 1.0 1.0 5.7
27 0 2 2 21.669 43.338 2.42243 178.3 12.3 12.2 5.7
28 2 7 0 22.485 44.969 2.33886 19.9 1.4 1.4 5.7
29 2 6 1 22.524 45.048 2.335 115.7 8.0 7.9 5.7
30 0 7 1 22.729 45.458 2.315 15.1 1.0 1.0 5.7
31 0 8 0 23.074 46.148 2.28225 75.4 5.2 5.2 5.7
32 1 3 2 23.225 46.449 2.26826 57.0 3.9 3.9 5.7
33 4 2 1 23.256 46.513 2.26534 100.5 6.9 6.9 5.7
34 1 7 1 23.299 46.599 2.26138 82.9 5.7 5.7 5.7
35 2 1 2 23.405 46.811 2.25173 24.4 1.7 1.7 5.7
36 2 2 2 23.966 47.932 2.20205 73.4 5.1 5.0 5.7
37 4 3 1 24.19 48.38 2.18288 22.1 1.5 1.5 5.7
38 1 4 2 24.525 49.05 2.15484 102.1 7.1 7.0 5.7
39 4 5 0 24.7 49.401 2.1405 18.8 1.3 1.3 5.7
40 3 6 1 25.294 50.589 2.09344 171.7 11.9 11.7 5.8
41 3 1 2 26.105 52.21 2.0328 26.2 1.8 1.8 5.8
42 3 2 2 26.623 53.246 1.99603 252.0 17.4 17.1 5.8
43 4 5 1 27.014 54.028 1.96928 24.7 1.7 1.7 5.8
44 5 1 1 27.498 54.995 1.93727 124.7 8.6 8.4 5.8
45 2 8 1 27.551 55.102 1.93381 332.6 23.0 22.5 5.8
46 5 2 1 27.998 55.996 1.90536 17.7 1.2 1.2 5.8
47 5 3 1 28.82 57.639 1.85551 28.1 1.9 1.9 5.8
48 4 0 2 29.425 58.85 1.82067 186.9 12.9 12.6 5.8
49 2 6 2 29.454 58.908 1.81902 71.0 4.9 4.8 5.8
50 2 9 1 30.313 60.625 1.77219 35.6 2.5 2.4 5.8
51 6 2 0 31.144 62.289 1.72944 48.6 3.4 3.3 5.8
52 4 8 0 31.191 62.383 1.72709 35.7 2.5 2.4 5.8
53 5 5 1 31.357 62.713 1.71892 31.3 2.2 2.1 5.8
54 3 6 2 31.796 63.591 1.69762 33.7 2.3 2.2 5.9
55 4 4 2 31.933 63.865 1.6911 117.0 8.1 7.8 5.9
56 0 8 2 31.97 63.94 1.68934 18.4 1.3 1.2 5.9
57 1 8 2 32.425 64.85 1.66816 96.1 6.6 6.4 5.9
58 6 0 1 32.556 65.112 1.66218 22.0 1.5 1.5 5.9
59 3 9 1 32.618 65.236 1.65937 41.6 2.9 2.8 5.9
60 1 0 3 32.729 65.459 1.65435 32.9 2.3 2.2 5.9
61 6 2 1 33.159 66.319 1.6353 38.1 2.6 2.5 5.9
62 2 10 1 33.232 66.465 1.63212 78.6 5.4 5.2 5.9
63 1 2 3 33.331 66.662 1.62784 30.1 2.1 2.0 5.9
64 0 3 3 33.632 67.265 1.61495 45.4 3.1 3.0 5.9
65 3 7 2 33.76 67.519 1.60958 19.8 1.4 1.3 5.9
66 5 2 2 34.169 68.338 1.59261 75.3 5.2 5.0 5.9
67 2 1 3 34.217 68.434 1.59063 16.1 1.1 1.1 5.9
68 2 2 3 34.659 69.319 1.57282 18.5 1.3 1.2 5.9
69 6 4 1 34.938 69.877 1.56185 212.3 14.7 14.0 5.9
70 1 11 1 35.016 70.032 1.55882 22.1 1.5 1.5 5.9
71 6 6 0 35.928 71.856 1.52439 128.8 8.9 8.5 5.9
72 0 12 0 36.007 72.013 1.5215 136.0 9.4 9.0 5.9
73 3 0 3 36.249 72.499 1.5127 32.4 2.2 2.1 5.9
74 1 5 3 36.411 72.822 1.50691 126.3 8.7 8.3 6.0
75 4 10 0 36.548 73.097 1.50203 86.4 6.0 5.7 6.0
76 3 2 3 36.824 73.649 1.49235 28.1 1.9 1.8 6.0
77 0 10 2 37.271 74.543 1.477 60.8 4.2 4.0 6.0
78 2 5 3 37.691 75.383 1.46295 29.8 2.1 1.9 6.0
79 6 6 1 37.819 75.638 1.45875 38.0 2.6 2.5 6.0
80 1 6 3 37.982 75.963 1.45344 27.7 1.9 1.8 6.0
81 6 0 2 38.33 76.66 1.44224 23.4 1.6 1.5 6.0
82 4 10 1 38.428 76.857 1.43911 57.8 4.0 3.8 6.0
83 3 4 3 38.53 77.06 1.4359 33.2 2.3 2.2 6.0
84 5 6 2 38.776 77.553 1.4282 35.6 2.5 2.3 6.0
85 4 8 2 38.936 77.873 1.42326 87.9 6.1 5.7 6.0
86 2 6 3 39.244 78.489 1.41388 78.3 5.4 5.1 6.0
87 4 1 3 39.359 78.718 1.41042 32.2 2.2 2.1 6.0
88 2 12 1 39.579 79.157 1.40388 30.9 2.1 2.0 6.0
89 4 2 3 39.779 79.558 1.39797 15.9 1.1 1.0 6.0
90 6 4 2 40.572 81.145 1.37523 40.4 2.8 2.6 6.1
91 3 10 2 41.046 82.093 1.36212 34.4 2.4 2.2 6.1
92 3 6 3 41.325 82.65 1.35456 74.0 5.1 4.8 6.1
93 6 8 1 41.737 83.475 1.3436 76.1 5.3 4.9 6.1
94 6 9 0 42.263 84.525 1.33 21.1 1.5 1.4 6.1
95 8 0 0 42.618 85.236 1.321 23.5 1.6 1.5 6.1
96 4 12 0 42.718 85.437 1.31849 52.4 3.6 3.4 6.1
97 2 8 3 43.132 86.264 1.3083 52.4 3.6 3.3 6.1
98 6 6 2 43.339 86.679 1.30327 23.3 1.6 1.5 6.1
99 0 12 2 43.415 86.829 1.30147 31.4 2.2 2.0 6.1
100 0 9 3 43.829 87.658 1.29163 53.7 3.7 3.4 6.2
101 4 10 2 43.932 87.864 1.28922 28.3 2.0 1.8 6.2
102 8 0 1 44.436 88.872 1.27759 24.6 1.7 1.6 6.2
103 8 4 0 44.821 89.642 1.26893 16.7 1.2 1.1 6.2
104 8 2 1 44.986 89.973 1.26526 59.5 4.1 3.8 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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