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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GATEHOUSEITE
2, syn
Mn(5)(OH)(4)[PO(4)](2)
Orthorhombic P 2(1)2(1)2(1) Z = 4
P2(1)2(1)2(1)
17 .9 .1907
Ref.Str.:
Ruszala F.A., Anderson J.B., Kostiner E. (1977)
* Inorg. Chem., 16, 2417-2422
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.11 alpha = 90.0
b = 18.032 beta = 90.0
c = 5.6923 gamma = 90.0
Unit cell volume (cub. angs.) = 935.08
Molar volume ( cub.cm/mol.) = 140.81
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3773 0.1244 0.4464 0.0 Mn = 1.00
2 0.3904 0.0289 0.9493 0.0 Mn = 1.00
3 0.3509 0.225 0.935 0.0 Mn = 1.00
4 0.7473 0.9329 0.7653 0.0 Mn = 1.00
5 0.5032 0.8198 0.086 0.0 Mn = 1.00
6 0.6787 0.1224 0.8052 0.0 P = 1.00
7 0.4297 0.8735 0.6197 0.0 P = 1.00
8 0.744 0.8566 0.0742 0.0 O = 1.00
9 0.5093 0.1271 0.776 0.0 O = 1.00
10 0.726 0.1713 0.011 0.0 O = 1.00
11 0.7177 0.0424 0.8803 0.0 O = 1.00
12 0.2603 0.8755 0.6195 0.0 O = 1.00
13 0.4959 0.9297 0.7944 0.0 O = 1.00
14 0.4833 0.8908 0.3715 0.0 O = 1.00
15 0.482 0.7976 0.7113 0.0 O = 1.00
16 0.4675 0.2175 0.2538 0.0 OH = 1.00
17 0.2648 0.795 0.119 0.0 OH = 1.00
18 0.2545 0.0434 0.6427 0.0 OH = 1.00
19 0.5181 0.0481 0.2704 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3773 0.1244 0.4464
2 2 0.3904 0.0289 0.9493
3 3 0.3509 0.225 0.935
4 4 0.7473 0.9329 0.7653
5 5 0.5032 0.8198 0.086
6 6 0.6787 0.1224 0.8052
7 7 0.4297 0.8735 0.6197
8 8 0.744 0.8566 0.0742
9 9 0.5093 0.1271 0.776
10 10 0.726 0.1713 0.011
11 11 0.7177 0.0424 0.8803
12 12 0.2603 0.8755 0.6195
13 13 0.4959 0.9297 0.7944
14 14 0.4833 0.8908 0.3715
15 15 0.482 0.7976 0.7113
16 16 0.4675 0.2175 0.2538
17 17 0.2648 0.795 0.119
18 18 0.2545 0.0434 0.6427
19 19 0.5181 0.0481 0.2704
20 1 0.1227 0.8756 0.9464
21 2 0.1096 0.9711 0.4493
22 3 0.1491 0.775 0.435
23 4 0.7527 0.0671 0.2653
24 5 0.9968 0.1802 0.586
25 6 0.8213 0.8776 0.3052
26 7 0.0703 0.1265 0.1197
27 8 0.756 0.1434 0.5742
28 9 0.9907 0.8729 0.276
29 10 0.774 0.8287 0.511
30 11 0.7823 0.9576 0.3803
31 12 0.2397 0.1245 0.1195
32 13 0.0041 0.0703 0.2944
33 14 0.0167 0.1092 0.8715
34 15 0.018 0.2024 0.2113
35 16 0.0325 0.7825 0.7538
36 17 0.2352 0.205 0.619
37 18 0.2455 0.9566 0.1427
38 19 0.9819 0.9519 0.7704
39 1 0.6227 0.6244 0.0536
40 2 0.6096 0.5289 0.5507
41 3 0.6491 0.725 0.565
42 4 0.2527 0.4329 0.7347
43 5 0.4968 0.3198 0.414
44 6 0.3213 0.6224 0.6948
45 7 0.5703 0.3735 0.8803
46 8 0.256 0.3566 0.4258
47 9 0.4907 0.6271 0.724
48 10 0.274 0.6713 0.489
49 11 0.2823 0.5424 0.6197
50 12 0.7397 0.3755 0.8805
51 13 0.5041 0.4297 0.7056
52 14 0.5167 0.3908 0.1285
53 15 0.518 0.2976 0.7887
54 16 0.5325 0.7175 0.2462
55 17 0.7352 0.295 0.381
56 18 0.7455 0.5434 0.8573
57 19 0.4819 0.5481 0.2296
58 1 0.8773 0.3756 0.5536
59 2 0.8904 0.4711 0.0507
60 3 0.8509 0.275 0.065
61 4 0.2473 0.5671 0.2347
62 5 0.0032 0.6802 0.914
63 6 0.1787 0.3776 0.1948
64 7 0.9297 0.6265 0.3803
65 8 0.244 0.6434 0.9258
66 9 0.0093 0.3729 0.224
67 10 0.226 0.3287 0.989
68 11 0.2177 0.4576 0.1197
69 12 0.7603 0.6245 0.3805
70 13 0.9959 0.5703 0.2056
71 14 0.9833 0.6092 0.6285
72 15 0.982 0.7024 0.2887
73 16 0.9675 0.2825 0.7462
74 17 0.7648 0.705 0.881
75 18 0.7545 0.4566 0.3573
76 19 0.0181 0.4519 0.7296
X-ray density (g/cm cub.) = 3.78
MU (1/cm) = 604.515 Mass attenuation coefficient (cm**2/g) = 159.823
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.772 6
2.2288 9
2.1663 16
2.1531 18
2.1313 19
2.2439 12
2.1801 17
2 Mn 2.772 6
2.2978 9
2.2139 13
2.1559 18
2.1939 19
2.4073 12
2.1578 18
3 Mn 2.772 6
2.4534 9
2.107 16
2.3272 12
2.116 17
2.1731 15
2.2101 10
4 Mn 2.772 6
2.2324 8
2.0982 11
2.2965 13
2.3838 10
2.2592 11
2.1653 19
5 Mn 2.772 6
2.2928 8
2.5853 13
2.0763 14
2.1788 15
2.2253 17
2.0757 16
6 P 2.28 4
1.5544 9
1.5279 10
1.5465 11
1.5388 8
7 P 2.28 4
1.5437 12
1.5427 13
1.5271 14
1.54 15
8 O 3.312 9
3.0631 13
2.9807 14
2.541 9
2.5515 10
3.2566 10
2.5445 11
3.262 19
3.3109 16
2.9527 17
9 O 3.312 10
2.5143 10
2.5079 11
3.1937 16
2.8708 18
3.1553 19
3.2123 19
2.541 8
3.1397 12
3.0012 17
3.0763 15
10 O 3.312 10
2.5143 9
2.4417 11
2.8548 16
3.2715 19
3.2566 8
2.5515 8
2.9829 14
2.948 15
3.2216 15
3.0689 17
11 O 3.312 9
2.5079 9
2.4417 10
2.9072 13
2.8719 19
2.5445 8
3.2841 11
3.2841 11
2.9788 14
2.9745 19
12 O 3.312 10
2.5599 13
2.4892 14
2.515 15
3.1927 17
3.1977 17
3.0309 18
3.1397 9
2.7755 16
3.0859 18
3.0113 19
13 O 3.312 7
3.0631 8
2.9072 11
2.5599 12
2.51 14
2.4318 15
3.1282 18
3.061 18
14 O 3.312 10
2.9807 8
2.4892 12
2.51 13
2.5624 15
3.002 17
2.9115 19
2.9829 10
2.9788 11
2.7923 18
3.2365 16
15 O 3.312 9
2.515 12
2.4318 13
2.5624 14
3.0501 17
2.948 10
3.0763 9
3.2216 10
3.0507 16
3.2185 17
16 OH 3.36 10
3.1937 9
2.8548 10
3.0907 19
2.7755 12
2.975 17
3.3109 8
3.2365 14
3.0507 15
2.9025 17
3.3366 10
17 OH 3.36 11
3.1977 12
3.1927 12
3.002 14
3.0501 15
3.0012 9
2.975 16
2.9224 18
3.0689 10
2.9025 16
2.9527 8
3.2185 15
18 OH 3.36 12
2.8708 9
3.0309 12
3.1282 13
3.2039 19
3.0859 12
3.3206 12
3.061 13
2.7923 14
2.9224 17
3.2492 18
3.2492 18
3.0689 19
19 OH 3.36 11
3.2123 9
3.1553 9
3.2715 10
2.8719 11
2.9115 14
3.0907 16
3.2039 18
3.262 8
2.9745 11
3.0113 12
3.0689 18
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 4.901 9.802 0.055 271.03 2 1.8 0.2
2 1 1 0 5.436 10.872 0.061 219.89 4 8.5 7.2
3 1 2 0 6.904 13.807 0.078 135.46 4 1.5 0.1
4 0 1 1 8.158 16.316 0.092 96.38 4 23.7 24.7
5 1 3 0 8.832 17.663 0.1 81.91 4 31.4 37.0
6 1 0 1 9.182 18.363 0.104 75.62 4 41.9 60.8
7 0 2 1 9.209 18.418 0.104 75.16 4 17.9 11.0
8 1 1 1 9.508 19.016 0.107 70.38 8 36.9 87.5
9 2 0 0 9.736 19.472 0.11 67.02 2 6.3 0.6
10 0 4 0 9.838 19.677 0.111 65.58 2 128.9 249.4
11 2 1 0 10.045 20.09 0.113 62.83 4 85.4 209.7
12 1 2 1 10.428 20.856 0.117 58.14 8 32.4 55.8
13 0 3 1 10.741 21.482 0.121 54.68 4 12.9 4.2
14 2 2 0 10.921 21.843 0.123 52.82 4 76.1 140.0
15 1 4 0 10.99 21.981 0.124 52.13 4 96.9 223.8
16 1 3 1 11.809 23.619 0.133 44.87 8 30.5 38.1
17 2 3 0 12.25 24.5 0.138 41.55 4 44.1 37.0
18 2 0 1 12.508 25.017 0.141 39.77 4 5.5 0.5
19 0 4 1 12.589 25.179 0.141 39.23 4 107.3 206.8
20 2 1 1 12.753 25.507 0.143 38.18 8 56.0 109.6
21 1 5 0 13.28 26.56 0.149 35.05 4 97.5 152.4
22 2 2 1 13.463 26.927 0.151 34.05 8 7.6 1.8
23 1 4 1 13.52 27.04 0.152 33.75 8 22.0 14.9
24 2 4 0 13.91 27.821 0.156 31.77 4 11.4 1.9
25 2 3 1 14.576 29.151 0.163 28.76 8 58.4 89.7
26 0 5 1 14.646 29.292 0.164 28.46 4 132.7 229.3
27 0 6 0 14.851 29.702 0.166 27.63 2 11.3 0.8
28 3 1 0 14.906 29.812 0.167 27.41 4 221.2 613.7
29 1 5 1 15.463 30.925 0.173 25.34 8 247.9 1424.8
30 3 2 0 15.525 31.05 0.174 25.12 4 215.4 533.0
31 1 6 0 15.658 31.316 0.175 24.66 4 30.2 10.3
32 0 0 2 15.702 31.405 0.176 24.51 2 28.8 4.7
33 2 5 0 15.809 31.617 0.177 24.16 4 106.2 124.6
34 0 1 2 15.902 31.804 0.178 23.85 4 63.4 43.8
35 2 4 1 16.014 32.028 0.179 23.5 8 227.7 1114.2
36 1 0 2 16.472 32.943 0.184 22.11 4 21.4 4.6
37 0 2 2 16.487 32.975 0.184 22.06 4 78.7 62.5
38 3 3 0 16.511 33.021 0.184 21.99 4 34.3 11.8
39 1 1 2 16.663 33.326 0.186 21.56 8 215.4 915.5
40 3 0 1 16.708 33.416 0.187 21.43 4 96.6 91.4
41 0 6 1 16.848 33.696 0.188 21.05 4 21.9 4.6
42 3 1 1 16.897 33.794 0.189 20.92 8 66.2 84.0
43 1 2 2 17.225 34.451 0.192 20.06 8 51.9 49.4
44 0 3 2 17.424 34.849 0.194 19.56 4 113.7 115.7
45 3 2 1 17.453 34.906 0.195 19.49 8 23.9 10.2
46 1 6 1 17.573 35.145 0.196 19.2 8 60.5 64.3
47 2 5 1 17.709 35.418 0.197 18.88 8 65.6 74.4
48 3 4 0 17.809 35.618 0.199 18.65 4 75.4 48.5
49 2 6 0 17.882 35.765 0.199 18.48 4 74.8 47.3
50 1 7 0 18.104 36.208 0.202 17.99 4 16.3 2.2
51 1 3 2 18.129 36.258 0.202 17.93 8 20.3 6.8
52 3 3 1 18.347 36.693 0.204 17.47 8 80.5 103.5
53 2 0 2 18.61 37.22 0.207 16.93 4 8.8 0.6
54 0 4 2 18.667 37.334 0.208 16.82 4 31.3 7.6
55 2 1 2 18.782 37.565 0.209 16.59 8 107.6 175.6
56 0 7 1 19.16 38.321 0.213 15.88 4 21.7 3.4
57 2 2 2 19.291 38.582 0.214 15.64 8 109.0 170.1
58 1 4 2 19.332 38.665 0.215 15.57 8 57.7 47.4
59 3 5 0 19.366 38.733 0.215 15.51 4 42.5 12.8
60 3 4 1 19.539 39.077 0.217 15.2 8 36.3 18.4
61 2 6 1 19.607 39.213 0.218 15.09 8 56.3 43.8
62 4 0 0 19.768 39.536 0.22 14.81 2 159.3 86.0
63 1 7 1 19.812 39.624 0.22 14.74 8 110.1 163.6
64 4 1 0 19.932 39.863 0.221 14.55 4 13.6 1.2
65 0 8 0 19.983 39.966 0.222 14.46 2 12.8 0.5
66 2 7 0 20.092 40.184 0.223 14.29 4 18.9 2.3
67 2 3 2 20.115 40.229 0.223 14.25 8 72.1 67.8
68 0 5 2 20.168 40.335 0.224 14.17 4 62.9 25.6
69 4 2 0 20.416 40.832 0.226 13.79 4 1.8 0.0
70 1 8 0 20.612 41.225 0.229 13.5 4 22.3 3.1
71 1 5 2 20.793 41.585 0.23 13.24 8 68.5 56.8
72 3 5 1 20.987 41.974 0.232 12.96 8 54.1 34.7
73 3 6 0 21.137 42.275 0.234 12.76 4 32.2 6.0
74 4 3 0 21.203 42.407 0.235 12.67 4 27.0 4.2
75 2 4 2 21.223 42.445 0.235 12.64 8 27.8 9.0
76 4 0 1 21.363 42.726 0.236 12.46 4 17.1 1.7
77 4 1 1 21.517 43.034 0.238 12.26 8 94.3 99.8
78 0 8 1 21.565 43.13 0.239 12.2 4 57.8 18.6
79 2 7 1 21.667 43.335 0.24 12.07 8 65.7 47.7
80 3 0 2 21.773 43.546 0.241 11.94 4 126.1 86.9
81 0 6 2 21.885 43.77 0.242 11.8 4 131.9 94.0
82 3 1 2 21.924 43.849 0.242 11.75 8 52.1 29.1
83 4 2 1 21.973 43.945 0.243 11.7 8 72.4 56.1
84 1 8 1 22.158 44.315 0.245 11.48 8 58.1 35.5
85 4 4 0 22.267 44.534 0.246 11.35 4 65.8 22.5
86 3 2 2 22.373 44.747 0.247 11.23 8 88.4 80.3
87 2 8 0 22.414 44.827 0.248 11.18 4 0.5 0.0
88 1 6 2 22.471 44.942 0.248 11.12 8 31.0 9.8
89 2 5 2 22.582 45.164 0.249 11.0 8 58.0 33.9
90 3 6 1 22.654 45.307 0.25 10.92 8 147.8 218.1
91 4 3 1 22.716 45.432 0.251 10.85 8 74.9 55.6
92 3 7 0 23.086 46.173 0.255 10.46 4 13.4 0.9
93 3 3 2 23.107 46.213 0.255 10.44 8 48.5 22.5
94 1 9 0 23.181 46.363 0.256 10.36 4 175.5 146.0
95 4 5 0 23.579 47.158 0.26 9.97 4 7.6 0.3
96 4 4 1 23.726 47.452 0.261 9.83 8 97.0 84.7
97 0 7 2 23.785 47.571 0.262 9.78 4 34.9 5.4
98 2 8 1 23.866 47.731 0.263 9.7 8 65.7 38.3
99 0 9 1 24.053 48.105 0.265 9.53 4 102.3 45.6
100 0 1 3 24.092 48.184 0.265 9.5 4 24.6 2.6
101 3 4 2 24.104 48.208 0.265 9.49 8 64.6 36.2
102 2 6 2 24.161 48.323 0.266 9.43 8 26.6 6.1
103 1 7 2 24.335 48.671 0.267 9.28 8 70.8 42.6
104 1 0 3 24.499 48.997 0.269 9.14 4 28.1 3.3
105 3 7 1 24.507 49.015 0.269 9.13 8 58.1 28.2
106 0 2 3 24.51 49.02 0.269 9.13 4 80.4 27.0
107 1 9 1 24.598 49.197 0.27 9.06 8 109.3 99.1
108 1 1 3 24.637 49.274 0.271 9.03 8 18.7 2.9
109 2 9 0 24.835 49.67 0.273 8.86 4 74.1 22.3
110 4 5 1 24.978 49.957 0.274 8.75 8 114.7 105.2
111 1 2 3 25.048 50.096 0.275 8.69 8 47.3 17.8
112 4 6 0 25.11 50.22 0.275 8.64 4 7.0 0.2
113 5 1 0 25.146 50.291 0.276 8.62 4 73.0 21.0
114 3 8 0 25.188 50.376 0.276 8.58 4 19.7 1.5
115 0 3 3 25.195 50.391 0.276 8.58 4 55.2 12.0
116 0 10 0 25.288 50.577 0.277 8.51 2 40.6 3.2
117 3 5 2 25.343 50.685 0.278 8.46 8 70.5 38.5
118 5 2 0 25.551 51.102 0.28 8.31 4 74.8 21.2
119 4 0 2 25.669 51.337 0.281 8.22 4 208.5 163.5
120 1 3 3 25.723 51.446 0.282 8.18 8 141.4 149.7
121 4 1 2 25.802 51.605 0.283 8.12 8 88.7 58.4
122 1 10 0 25.815 51.629 0.283 8.12 4 211.0 165.3
123 0 8 2 25.844 51.688 0.283 8.09 4 94.4 33.0
124 2 7 2 25.934 51.867 0.284 8.03 8 27.4 5.5
125 2 0 3 26.089 52.179 0.285 7.92 4 69.7 17.6
126 0 4 3 26.133 52.266 0.286 7.89 4 5.3 0.1
127 2 9 1 26.185 52.369 0.286 7.86 8 50.1 18.1
128 4 2 2 26.2 52.401 0.287 7.85 8 94.8 64.6
129 5 3 0 26.216 52.433 0.287 7.83 4 18.9 1.3
130 2 1 3 26.221 52.443 0.287 7.83 8 57.5 23.7
131 5 0 1 26.353 52.705 0.288 7.74 4 2.2 0.0
132 1 8 2 26.363 52.725 0.288 7.74 8 37.3 9.9
133 4 6 1 26.45 52.899 0.289 7.68 8 112.8 89.3
134 5 1 1 26.484 52.968 0.289 7.66 8 30.7 6.6
135 3 8 1 26.525 53.05 0.29 7.63 8 44.7 14.0
136 2 2 3 26.615 53.23 0.291 7.57 8 19.8 2.7
137 0 10 1 26.622 53.243 0.291 7.57 4 82.7 23.7
138 1 4 3 26.647 53.294 0.291 7.55 8 131.3 119.1
139 3 6 2 26.799 53.599 0.293 7.45 8 60.5 25.0
140 4 7 0 26.836 53.673 0.293 7.43 4 51.7 9.1
141 4 3 2 26.854 53.709 0.293 7.42 8 106.8 77.3
142 5 2 1 26.875 53.75 0.293 7.4 8 61.4 25.5
143 5 4 0 27.129 54.257 0.296 7.25 4 26.7 2.4
144 1 10 1 27.129 54.259 0.296 7.25 8 57.6 22.0
145 2 3 3 27.262 54.525 0.297 7.17 8 23.2 3.5
146 0 5 3 27.304 54.609 0.298 7.14 4 144.3 68.0
147 2 10 0 27.35 54.7 0.298 7.11 4 85.3 23.7
148 3 9 0 27.426 54.851 0.299 7.07 4 14.6 0.7
149 5 3 1 27.518 55.036 0.3 7.02 8 179.9 207.7
150 4 4 2 27.752 55.505 0.302 6.88 8 49.2 15.2
151 1 5 3 27.804 55.608 0.303 6.85 8 69.5 30.3
152 2 8 2 27.877 55.754 0.304 6.81 8 46.4 13.4
153 0 9 2 28.045 56.09 0.305 6.72 4 86.0 22.7
154 4 7 1 28.118 56.236 0.306 6.68 8 137.5 115.6
155 2 4 3 28.151 56.303 0.306 6.66 8 98.3 58.9
156 5 5 0 28.272 56.544 0.307 6.6 4 20.5 1.3
157 5 4 1 28.401 56.803 0.309 6.53 8 54.1 17.5
158 3 7 2 28.454 56.907 0.309 6.5 8 144.9 125.0
159 1 11 0 28.518 57.036 0.31 6.47 4 91.4 24.7
160 1 9 2 28.536 57.071 0.31 6.46 8 69.8 28.8
161 3 0 3 28.6 57.2 0.311 6.43 4 97.5 28.0
162 2 10 1 28.616 57.233 0.311 6.42 8 108.8 69.5
163 3 9 1 28.69 57.379 0.312 6.38 8 94.7 52.4
164 0 6 3 28.692 57.384 0.312 6.38 4 329.3 316.6
165 3 1 3 28.724 57.448 0.312 6.37 8 30.9 5.5
166 4 8 0 28.738 57.476 0.312 6.36 4 229.1 152.7
167 4 5 2 28.879 57.758 0.313 6.29 8 99.5 57.0
168 3 2 3 29.095 58.19 0.316 6.18 8 65.6 24.4
169 1 6 3 29.176 58.351 0.316 6.15 8 81.1 37.0
170 2 5 3 29.268 58.536 0.317 6.1 8 79.1 35.0
171 0 11 1 29.274 58.548 0.317 6.1 4 69.7 13.6
172 5 5 1 29.512 59.024 0.32 5.99 8 51.0 14.2
173 5 6 0 29.63 59.259 0.321 5.94 4 71.7 13.9
174 3 3 3 29.706 59.412 0.322 5.9 8 48.8 12.9
175 1 11 1 29.752 59.504 0.322 5.88 8 91.9 45.5
176 3 10 0 29.789 59.578 0.322 5.87 4 71.3 13.6
177 2 11 0 29.96 59.92 0.324 5.79 4 57.3 8.7
178 4 8 1 29.966 59.932 0.324 5.79 8 57.4 17.4
179 2 9 2 29.977 59.954 0.324 5.78 8 101.4 54.4
180 5 0 2 30.131 60.261 0.326 5.72 4 131.6 45.3
181 4 6 2 30.22 60.439 0.327 5.68 8 114.5 68.2
182 5 1 2 30.251 60.502 0.327 5.67 8 30.4 4.8
183 0 7 3 30.278 60.556 0.327 5.66 4 133.5 46.1
184 3 8 2 30.289 60.577 0.327 5.65 8 23.4 2.8
185 0 10 2 30.377 60.754 0.328 5.61 4 12.5 0.4
186 6 0 0 30.485 60.971 0.329 5.57 2 8.1 0.1
187 3 4 3 30.549 61.098 0.33 5.54 8 74.2 27.9
188 2 6 3 30.598 61.196 0.33 5.52 8 17.1 1.5
189 6 1 0 30.605 61.21 0.33 5.52 4 128.3 41.6
190 5 2 2 30.61 61.22 0.331 5.52 8 88.1 39.2
191 1 7 3 30.746 61.493 0.332 5.47 8 28.9 4.2
192 4 9 0 30.8 61.601 0.332 5.44 4 11.8 0.3
193 5 6 1 30.836 61.671 0.333 5.43 8 167.3 139.1
194 0 12 0 30.838 61.676 0.333 5.43 2 223.3 62.0
195 1 10 2 30.845 61.689 0.333 5.43 8 60.8 18.3
196 6 2 0 30.962 61.923 0.334 5.38 4 136.6 45.9
197 3 10 1 30.991 61.983 0.334 5.37 8 36.3 6.5
198 2 11 1 31.158 62.316 0.336 5.31 8 35.1 6.0
199 5 7 0 31.187 62.373 0.336 5.3 4 67.4 11.0
200 5 3 2 31.203 62.406 0.336 5.29 8 103.0 51.3
201 1 12 0 31.301 62.602 0.337 5.25 4 60.8 8.9
202 6 3 0 31.551 63.102 0.34 5.16 4 82.3 16.0
203 3 5 3 31.613 63.226 0.34 5.14 8 129.6 79.0
204 6 0 1 31.672 63.344 0.341 5.12 4 78.4 14.4
205 4 7 2 31.759 63.519 0.342 5.09 8 66.5 20.6
206 6 1 1 31.789 63.578 0.342 5.08 8 12.1 0.7
207 4 0 3 31.896 63.793 0.343 5.04 4 0.1 0.0
208 4 9 1 31.98 63.961 0.344 5.01 8 11.2 0.6
209 4 1 3 32.013 64.026 0.344 5.0 8 20.1 1.9
210 0 12 1 32.017 64.034 0.344 5.0 4 100.3 23.0
211 5 4 2 32.023 64.046 0.344 5.0 8 25.3 2.9
212 0 8 3 32.049 64.099 0.344 4.99 4 4.6 0.0
213 2 7 3 32.127 64.255 0.345 4.96 8 38.9 6.9
214 6 2 1 32.138 64.276 0.345 4.96 8 104.7 49.7
215 2 10 2 32.223 64.446 0.346 4.93 8 114.0 58.7
216 3 11 0 32.275 64.55 0.347 4.91 4 91.1 18.7
217 3 9 2 32.291 64.583 0.347 4.91 8 88.8 35.4
218 5 7 1 32.359 64.717 0.347 4.89 8 30.4 4.1
219 4 2 3 32.361 64.721 0.347 4.89 8 143.2 91.7
220 6 4 0 32.366 64.731 0.347 4.88 4 13.0 0.4
221 1 12 1 32.471 64.942 0.348 4.85 8 55.3 13.6
222 1 8 3 32.503 65.006 0.349 4.84 8 37.1 6.1
223 2 12 0 32.669 65.338 0.35 4.79 4 5.4 0.1
224 6 3 1 32.716 65.431 0.351 4.77 8 41.4 7.5
225 0 0 4 32.771 65.541 0.351 4.76 2 11.0 0.1
226 0 11 2 32.837 65.675 0.352 4.73 4 97.4 20.5
227 0 1 4 32.885 65.771 0.352 4.72 4 7.6 0.1
228 3 6 3 32.887 65.775 0.352 4.72 8 58.7 14.9
229 5 8 0 32.93 65.86 0.353 4.71 4 24.6 1.3
230 4 3 3 32.936 65.872 0.353 4.7 8 42.1 7.6
231 4 10 0 33.015 66.029 0.354 4.68 4 13.2 0.4
232 5 5 2 33.06 66.121 0.354 4.67 8 62.7 16.8
233 1 0 4 33.219 66.438 0.356 4.62 4 182.9 70.7
234 0 2 4 33.229 66.457 0.356 4.62 4 46.6 4.6
235 1 11 2 33.285 66.571 0.356 4.6 8 106.8 48.0
236 1 1 4 33.333 66.666 0.357 4.59 8 107.0 48.1
237 6 5 0 33.398 66.795 0.357 4.57 4 0.8 0.0
238 3 11 1 33.426 66.853 0.358 4.56 8 96.9 39.2
239 4 8 2 33.487 66.973 0.358 4.54 8 48.2 9.6
240 6 4 1 33.515 67.031 0.358 4.53 8 78.4 25.5
241 1 2 4 33.674 67.348 0.36 4.49 8 96.4 38.1
242 4 4 3 33.733 67.466 0.36 4.47 8 3.8 0.1
243 0 3 4 33.796 67.593 0.361 4.45 4 60.5 7.4
244 2 12 1 33.813 67.626 0.361 4.45 8 37.5 5.7
245 2 8 3 33.845 67.689 0.362 4.44 8 27.2 3.0
246 0 9 3 33.995 67.989 0.363 4.4 4 47.8 4.6
247 5 8 1 34.07 68.14 0.364 4.38 8 47.3 9.0
248 4 10 1 34.153 68.306 0.364 4.36 8 34.2 4.7
249 1 13 0 34.175 68.351 0.365 4.35 4 60.9 7.4
250 1 3 4 34.238 68.476 0.365 4.34 8 31.7 4.0
251 5 6 2 34.307 68.613 0.366 4.32 8 35.3 4.9
252 3 7 3 34.361 68.723 0.366 4.3 8 70.0 19.3
253 1 9 3 34.435 68.87 0.367 4.28 8 15.1 0.9
254 3 10 2 34.454 68.908 0.367 4.28 8 59.4 13.8
255 6 5 1 34.53 69.06 0.368 4.26 8 49.1 9.4
256 2 0 4 34.547 69.094 0.368 4.26 4 22.8 1.0
257 0 4 4 34.584 69.167 0.368 4.25 4 33.7 2.2
258 2 11 2 34.612 69.224 0.369 4.24 8 99.1 38.1
259 6 6 0 34.638 69.276 0.369 4.23 4 12.1 0.3
260 2 1 4 34.659 69.317 0.369 4.23 8 27.1 2.8
261 4 5 3 34.745 69.489 0.37 4.21 8 22.8 2.0
262 5 9 0 34.85 69.701 0.371 4.18 4 49.2 4.6
263 0 13 1 34.86 69.72 0.371 4.18 4 15.8 0.5
264 3 12 0 34.885 69.771 0.371 4.17 4 50.2 4.8
265 2 2 4 34.993 69.986 0.372 4.15 8 112.6 48.1
266 1 4 4 35.021 70.041 0.373 4.14 8 26.0 2.6
267 6 0 2 35.099 70.198 0.373 4.12 4 7.9 0.1
268 6 1 2 35.21 70.421 0.374 4.1 8 67.4 17.0
269 1 13 1 35.296 70.591 0.375 4.08 8 20.9 1.6
270 4 11 0 35.377 70.754 0.376 4.06 4 25.6 1.2
271 4 9 2 35.392 70.785 0.376 4.05 8 31.6 3.7
272 0 12 2 35.427 70.854 0.376 4.05 4 10.0 0.2
273 2 13 0 35.486 70.972 0.377 4.03 4 11.9 0.3
274 6 2 2 35.543 71.085 0.377 4.02 8 60.5 13.5
275 2 3 4 35.548 71.095 0.377 4.02 8 39.5 5.7
276 0 5 4 35.584 71.168 0.378 4.01 4 56.7 5.9
277 2 9 3 35.741 71.483 0.379 3.98 8 46.3 7.8
278 6 6 1 35.752 71.503 0.379 3.97 8 73.4 19.6
279 5 7 2 35.753 71.505 0.379 3.97 8 69.6 17.6
280 1 12 2 35.86 71.719 0.38 3.95 8 36.5 4.8
281 5 0 3 35.882 71.764 0.38 3.94 4 107.0 20.7
282 5 9 1 35.961 71.923 0.381 3.93 8 39.0 5.5
283 4 6 3 35.963 71.927 0.381 3.93 8 25.4 2.3
284 5 1 3 35.992 71.984 0.381 3.92 8 74.9 20.1
285 3 12 1 35.996 71.992 0.382 3.92 8 46.9 7.9
286 1 5 4 36.016 72.031 0.382 3.92 8 33.8 4.1
287 3 8 3 36.027 72.053 0.382 3.91 8 71.1 18.1
288 6 7 0 36.078 72.156 0.382 3.9 4 18.2 0.6
289 6 3 2 36.093 72.187 0.382 3.9 8 41.1 6.0
290 0 10 3 36.108 72.215 0.383 3.9 4 80.7 11.6
291 2 4 4 36.318 72.636 0.384 3.85 8 57.9 11.8
292 5 2 3 36.321 72.642 0.384 3.85 8 43.2 6.6
293 7 1 0 36.4 72.799 0.385 3.84 4 63.9 7.2
294 4 11 1 36.481 72.962 0.386 3.82 8 21.8 1.7
295 1 10 3 36.537 73.074 0.386 3.81 8 75.3 19.8
296 2 13 1 36.589 73.177 0.387 3.8 8 59.7 12.4
297 3 0 4 36.71 73.42 0.388 3.78 4 58.6 5.9
298 7 2 0 36.727 73.455 0.388 3.77 4 36.3 2.3
299 0 14 0 36.73 73.46 0.388 3.77 2 15.7 0.2
300 3 11 2 36.774 73.547 0.389 3.76 8 71.2 17.4
301 0 6 4 36.791 73.581 0.389 3.76 4 50.8 4.4
302 3 1 4 36.819 73.638 0.389 3.75 8 60.5 12.6
303 6 4 2 36.859 73.718 0.389 3.75 8 46.4 7.4
304 5 3 3 36.867 73.735 0.389 3.74 8 47.6 7.8
305 5 10 0 36.942 73.884 0.39 3.73 4 21.9 0.8
306 2 12 2 37.145 74.289 0.392 3.69 8 39.0 5.1
307 3 2 4 37.146 74.291 0.392 3.69 8 35.9 4.3
308 1 14 0 37.156 74.313 0.392 3.69 4 28.1 1.3
309 6 7 1 37.174 74.347 0.392 3.69 8 88.4 26.4
310 1 6 4 37.217 74.434 0.393 3.68 8 31.9 3.4
311 7 3 0 37.271 74.542 0.393 3.67 4 7.7 0.1
312 2 5 4 37.299 74.597 0.393 3.66 8 43.4 6.3
313 4 7 3 37.382 74.764 0.394 3.65 8 29.7 2.9
314 7 0 1 37.383 74.767 0.394 3.65 4 35.5 2.1
315 5 8 2 37.392 74.783 0.394 3.65 8 55.9 10.4
316 4 10 2 37.472 74.943 0.395 3.63 8 57.3 10.9
317 7 1 1 37.492 74.983 0.395 3.63 8 52.1 9.0
318 3 13 0 37.627 75.254 0.396 3.61 4 3.9 0.0
319 5 4 3 37.627 75.254 0.396 3.61 8 4.9 0.1
320 3 3 4 37.687 75.374 0.397 3.6 8 27.8 2.5
321 6 8 0 37.711 75.423 0.397 3.59 4 2.4 0.0
322 2 10 3 37.813 75.626 0.398 3.58 8 27.3 2.4
323 7 2 1 37.816 75.632 0.398 3.57 8 29.5 2.8
324 0 14 1 37.818 75.637 0.398 3.57 4 45.9 3.4
325 6 5 2 37.834 75.669 0.398 3.57 8 72.1 17.0
326 3 9 3 37.877 75.753 0.399 3.56 8 38.6 4.9
327 4 12 0 37.889 75.777 0.399 3.56 4 74.7 9.1
328 7 4 0 38.028 76.056 0.4 3.54 4 17.2 0.5
329 5 10 1 38.028 76.057 0.4 3.54 8 6.5 0.1
330 0 13 2 38.153 76.306 0.401 3.52 4 24.0 0.9
331 0 7 4 38.198 76.396 0.401 3.51 4 11.5 0.2
332 1 14 1 38.241 76.481 0.402 3.5 8 89.2 25.5
333 7 3 1 38.354 76.709 0.403 3.49 8 60.0 11.5
334 0 11 3 38.387 76.774 0.403 3.48 4 74.1 8.7
335 2 14 0 38.425 76.85 0.403 3.48 4 83.5 11.1
336 3 4 4 38.441 76.882 0.404 3.47 8 32.5 3.4
337 2 6 4 38.485 76.97 0.404 3.47 8 3.4 0.0
338 1 13 2 38.574 77.148 0.405 3.45 8 14.4 0.7
339 5 5 3 38.596 77.191 0.405 3.45 8 64.1 13.0
340 1 7 4 38.619 77.238 0.405 3.45 8 58.1 10.6
341 3 13 1 38.707 77.413 0.406 3.43 8 81.8 21.0
342 6 8 1 38.79 77.581 0.407 3.42 8 39.1 4.8
343 1 11 3 38.807 77.614 0.407 3.42 8 70.4 15.5
344 4 12 1 38.966 77.932 0.408 3.39 8 86.7 23.3
345 7 5 0 38.993 77.987 0.408 3.39 4 8.6 0.1
346 4 8 3 38.996 77.992 0.408 3.39 8 10.0 0.3
347 6 6 2 39.016 78.031 0.409 3.39 8 48.4 7.3
348 7 4 1 39.104 78.208 0.409 3.37 8 65.2 13.1
349 5 11 0 39.204 78.408 0.41 3.36 4 39.2 2.4
350 5 9 2 39.219 78.438 0.41 3.36 8 120.4 44.5
351 3 12 2 39.252 78.505 0.411 3.35 8 53.1 8.7
352 3 5 4 39.404 78.807 0.412 3.33 8 69.6 14.8
353 2 14 1 39.498 78.996 0.413 3.32 8 19.9 1.2
354 6 9 0 39.534 79.068 0.413 3.32 4 105.0 16.7
355 4 0 4 39.662 79.324 0.414 3.3 4 6.7 0.1
356 4 11 2 39.724 79.447 0.415 3.29 8 35.2 3.7
357 4 1 4 39.768 79.536 0.415 3.28 8 135.4 55.1
358 5 6 3 39.77 79.54 0.415 3.28 8 56.7 9.6
359 0 8 4 39.802 79.603 0.416 3.28 4 50.7 3.9
360 2 13 2 39.828 79.657 0.416 3.28 8 26.8 2.2
361 2 7 4 39.873 79.746 0.416 3.27 8 27.8 2.3
362 3 10 3 39.91 79.819 0.416 3.27 8 45.1 6.1
363 2 11 3 40.059 80.119 0.418 3.25 8 51.6 7.9
364 7 5 1 40.062 80.124 0.418 3.25 8 78.7 18.4
365 4 2 4 40.087 80.174 0.418 3.24 8 30.6 2.8
366 7 6 0 40.165 80.329 0.419 3.23 4 62.2 5.7
367 1 8 4 40.218 80.435 0.419 3.23 8 59.0 10.3
368 1 15 0 40.264 80.529 0.42 3.22 4 62.4 5.7
369 5 11 1 40.271 80.542 0.42 3.22 8 52.6 8.2
370 6 7 2 40.398 80.797 0.421 3.21 8 17.2 0.9
371 3 14 0 40.513 81.025 0.422 3.19 4 16.1 0.4
372 6 0 3 40.523 81.046 0.422 3.19 4 21.4 0.7
373 4 13 0 40.558 81.115 0.422 3.19 4 36.7 2.0
374 3 6 4 40.572 81.143 0.422 3.19 8 22.7 1.5
375 6 9 1 40.599 81.198 0.422 3.18 8 20.6 1.2
376 7 0 2 40.603 81.206 0.422 3.18 4 23.9 0.8
377 4 3 4 40.617 81.233 0.423 3.18 8 56.2 9.2
378 6 1 3 40.629 81.257 0.423 3.18 8 12.9 0.5
379 7 1 2 40.709 81.418 0.423 3.17 8 86.6 21.8
380 4 9 3 40.802 81.605 0.424 3.16 8 32.8 3.1
381 0 12 3 40.835 81.671 0.424 3.16 4 32.8 1.6
382 0 15 1 40.912 81.823 0.425 3.15 4 69.8 7.0
383 6 2 3 40.946 81.891 0.425 3.14 8 19.2 1.1
384 7 2 2 41.026 82.051 0.426 3.14 8 25.8 1.9
385 0 14 2 41.028 82.056 0.426 3.14 4 97.2 13.6
386 5 7 3 41.147 82.293 0.427 3.12 8 8.6 0.2
387 7 6 1 41.226 82.451 0.428 3.11 8 37.1 3.9
388 5 10 2 41.234 82.467 0.428 3.11 8 97.1 26.8
389 1 12 3 41.249 82.498 0.428 3.11 8 41.8 5.0
390 1 15 1 41.325 82.65 0.429 3.1 8 105.8 31.8
391 4 4 4 41.356 82.711 0.429 3.1 8 39.7 4.5
392 1 14 2 41.441 82.883 0.43 3.09 8 30.5 2.6
393 2 8 4 41.46 82.919 0.43 3.09 8 31.9 2.9
394 6 3 3 41.473 82.946 0.43 3.09 8 79.6 17.9
395 2 15 0 41.506 83.012 0.43 3.09 4 61.9 5.4
396 7 7 0 41.538 83.076 0.43 3.08 4 115.7 18.9
397 6 10 0 41.545 83.091 0.431 3.08 4 71.0 7.1
398 7 3 2 41.553 83.106 0.431 3.08 8 73.7 15.3
399 3 14 1 41.572 83.144 0.431 3.08 8 66.7 12.6
400 0 9 4 41.599 83.199 0.431 3.08 4 101.8 14.6
401 4 13 1 41.617 83.233 0.431 3.07 8 74.6 15.7
402 5 12 0 41.64 83.281 0.431 3.07 4 82.1 9.5
403 3 13 2 41.899 83.797 0.433 3.05 8 83.4 19.4
404 3 7 4 41.943 83.885 0.434 3.04 8 73.6 15.1
405 6 8 2 41.981 83.962 0.434 3.04 8 77.4 16.7
406 1 9 4 42.012 84.023 0.434 3.04 8 31.9 2.8
407 3 11 3 42.127 84.254 0.435 3.03 8 47.9 6.3
408 4 12 2 42.154 84.307 0.436 3.02 8 93.2 24.0
409 6 4 3 42.209 84.419 0.436 3.02 8 134.6 50.0
410 7 4 2 42.289 84.578 0.437 3.01 8 28.7 2.3
411 4 5 4 42.303 84.605 0.437 3.01 8 43.0 5.1
412 2 12 3 42.485 84.971 0.438 3.0 8 115.0 36.2
413 2 15 1 42.561 85.122 0.439 2.99 8 57.1 8.9
414 8 0 0 42.565 85.13 0.439 2.99 2 216.5 32.0
415 7 7 1 42.593 85.186 0.439 2.99 8 45.6 5.7
416 6 10 1 42.6 85.2 0.439 2.99 8 19.3 1.0
417 8 1 0 42.67 85.34 0.44 2.98 4 46.5 2.9
418 2 14 2 42.677 85.354 0.44 2.98 8 15.1 0.6
419 0 1 5 42.683 85.367 0.44 2.98 4 34.2 1.6
420 5 12 1 42.695 85.39 0.44 2.98 8 35.8 3.5
421 5 8 3 42.724 85.448 0.44 2.98 8 41.8 4.8
422 4 10 3 42.802 85.603 0.441 2.97 8 105.0 29.9
423 8 2 0 42.984 85.969 0.443 2.96 4 22.5 0.7
424 1 0 5 42.989 85.978 0.443 2.95 4 9.6 0.1
425 0 2 5 42.998 85.996 0.443 2.95 4 34.7 1.6
426 1 1 5 43.094 86.188 0.443 2.95 8 35.9 3.5
427 7 8 0 43.114 86.227 0.444 2.95 4 54.8 4.1
428 0 16 0 43.116 86.232 0.444 2.95 2 104.0 7.3
429 6 5 3 43.154 86.307 0.444 2.94 8 79.1 16.8
430 7 5 2 43.233 86.466 0.445 2.94 8 9.4 0.2
431 2 9 4 43.245 86.49 0.445 2.94 8 42.9 4.9
432 5 0 4 43.378 86.757 0.446 2.93 4 68.3 6.2
433 4 14 0 43.397 86.795 0.446 2.92 4 19.1 0.5
434 1 2 5 43.408 86.817 0.446 2.92 8 44.7 5.4
435 5 11 2 43.439 86.879 0.446 2.92 8 61.6 10.2
436 4 6 4 43.456 86.912 0.446 2.92 8 59.5 9.5
437 0 13 3 43.463 86.926 0.447 2.92 4 56.3 4.2
438 5 1 4 43.483 86.966 0.447 2.92 8 86.0 19.7
439 8 3 0 43.508 87.016 0.447 2.92 4 88.4 10.4
440 3 8 4 43.516 87.032 0.447 2.92 8 42.8 4.9
441 0 3 5 43.522 87.043 0.447 2.92 4 39.6 2.1
442 1 16 0 43.526 87.053 0.447 2.92 4 6.4 0.1
443 3 15 0 43.562 87.125 0.447 2.91 4 30.5 1.2
444 0 10 4 43.593 87.187 0.448 2.91 4 29.1 1.1
445 8 0 1 43.617 87.233 0.448 2.91 4 26.2 0.9
446 8 1 1 43.721 87.442 0.449 2.9 8 70.0 13.0
447 6 11 0 43.749 87.498 0.449 2.9 4 109.2 15.8
448 6 9 2 43.763 87.527 0.449 2.9 8 109.5 31.8
449 5 2 4 43.797 87.594 0.449 2.9 8 41.9 4.6
450 1 13 3 43.873 87.746 0.45 2.89 8 58.4 9.0
451 1 3 5 43.932 87.863 0.45 2.89 8 19.4 1.0
452 1 10 4 44.003 88.007 0.451 2.88 8 53.0 7.4
453 8 2 1 44.035 88.07 0.451 2.88 8 59.5 9.3
454 0 15 2 44.073 88.146 0.452 2.88 4 48.0 3.0
455 7 8 1 44.164 88.328 0.452 2.87 8 55.5 8.1
456 0 16 1 44.166 88.333 0.452 2.87 4 68.2 6.1
457 2 0 5 44.22 88.439 0.453 2.87 4 18.4 0.4
458 8 4 0 44.241 88.481 0.453 2.87 4 6.8 0.1
459 0 4 5 44.254 88.508 0.453 2.87 4 65.7 5.7
460 5 13 0 44.262 88.524 0.453 2.87 4 90.0 10.6
461 6 6 3 44.305 88.61 0.453 2.87 8 16.9 0.7
462 5 3 4 44.32 88.64 0.454 2.87 8 62.0 10.1
463 2 1 5 44.324 88.648 0.454 2.86 8 22.2 1.3
464 7 6 2 44.384 88.768 0.454 2.86 8 28.9 2.2
465 4 14 1 44.447 88.895 0.455 2.86 8 42.7 4.8
466 1 15 2 44.483 88.965 0.455 2.86 8 66.3 11.5
467 5 9 3 44.504 89.008 0.455 2.85 8 19.8 1.0
468 3 12 3 44.537 89.073 0.455 2.85 8 41.7 4.5
469 8 3 1 44.558 89.116 0.455 2.85 8 43.2 4.9
470 1 16 1 44.576 89.152 0.456 2.85 8 20.2 1.1
471 3 15 1 44.612 89.224 0.456 2.85 8 57.4 8.6
472 2 2 5 44.638 89.276 0.456 2.85 8 51.2 6.8
473 1 4 5 44.664 89.327 0.456 2.85 8 86.3 19.4
474 3 14 2 44.728 89.455 0.457 2.84 8 39.5 4.1
475 2 16 0 44.756 89.512 0.457 2.84 4 10.2 0.1
476 4 13 2 44.772 89.544 0.457 2.84 8 57.6 8.6
477 6 11 1 44.798 89.597 0.457 2.84 8 16.0 0.7
478 4 7 4 44.816 89.632 0.458 2.84 8 31.3 2.5
479 7 9 0 44.892 89.785 0.458 2.83 4 53.1 3.7
480 4 11 3 44.999 89.999 0.459 2.83 8 39.8 4.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 1 1 8.158 16.316 5.42825 24.7 1.7 1.8 5.6
2 1 3 0 8.832 17.663 5.01705 37.0 2.6 2.6 5.6
3 1 0 1 9.182 18.363 4.82741 71.8 5.0 5.1 5.6
4 1 1 1 9.508 19.016 4.66319 87.5 6.1 6.2 5.6
5 0 4 0 9.838 19.677 4.508 249.4 17.5 17.7 5.6
6 2 1 0 10.045 20.09 4.41628 209.7 14.7 14.8 5.6
7 1 2 1 10.428 20.856 4.25577 55.8 3.9 3.9 5.6
8 2 2 0 10.921 21.843 4.0656 140.0 9.8 9.9 5.6
9 1 4 0 10.99 21.981 4.04038 223.8 15.7 15.8 5.6
10 1 3 1 11.809 23.619 3.7638 38.1 2.7 2.7 5.6
11 2 3 0 12.25 24.5 3.63033 37.0 2.6 2.6 5.6
12 0 4 1 12.589 25.179 3.534 206.8 14.5 14.6 5.6
13 2 1 1 12.753 25.507 3.48928 109.6 7.7 7.7 5.6
14 1 5 0 13.28 26.56 3.35321 152.4 10.7 10.7 5.6
15 1 4 1 13.52 27.04 3.29477 14.9 1.0 1.0 5.6
16 2 3 1 14.576 29.151 3.06083 89.7 6.3 6.3 5.6
17 0 5 1 14.646 29.292 3.04645 229.3 16.1 16.1 5.6
18 3 1 0 14.906 29.812 2.9945 613.7 43.1 43.1 5.6
19 1 5 1 15.463 30.925 2.88918 1424.8 100.0 100.0 5.6
20 3 2 0 15.525 31.05 2.87782 533.0 37.4 37.4 5.6
21 2 5 0 15.809 31.617 2.82747 124.6 8.7 8.7 5.6
22 0 1 2 15.902 31.804 2.81135 43.8 3.1 3.1 5.6
23 2 4 1 16.014 32.028 2.79217 1114.2 78.2 78.1 5.6
24 0 2 2 16.487 32.975 2.71413 79.0 5.5 5.5 5.6
25 1 1 2 16.663 33.326 2.68634 915.5 64.3 64.1 5.7
26 3 0 1 16.708 33.416 2.67926 91.4 6.4 6.4 5.7
27 3 1 1 16.897 33.794 2.65017 84.0 5.9 5.9 5.7
28 1 2 2 17.225 34.451 2.60114 49.4 3.5 3.5 5.7
29 0 3 2 17.424 34.849 2.57234 115.7 8.1 8.1 5.7
30 1 6 1 17.573 35.145 2.55132 64.3 4.5 4.5 5.7
31 2 5 1 17.709 35.418 2.53228 74.4 5.2 5.2 5.7
32 3 4 0 17.809 35.618 2.51855 48.5 3.4 3.4 5.7
33 2 6 0 17.882 35.765 2.50852 47.3 3.3 3.3 5.7
34 3 3 1 18.347 36.693 2.44715 103.5 7.3 7.2 5.7
35 2 1 2 18.782 37.565 2.39237 175.6 12.3 12.3 5.7
36 2 2 2 19.291 38.582 2.3316 170.1 11.9 11.9 5.7
37 1 4 2 19.332 38.665 2.32681 47.4 3.3 3.3 5.7
38 3 4 1 19.539 39.077 2.30318 18.4 1.3 1.3 5.7
39 2 6 1 19.607 39.213 2.29551 43.8 3.1 3.1 5.7
40 4 0 0 19.768 39.536 2.2775 86.0 6.0 6.0 5.7
41 1 7 1 19.812 39.624 2.27267 163.6 11.5 11.4 5.7
42 2 3 2 20.115 40.229 2.23985 70.1 4.9 4.9 5.7
43 0 5 2 20.168 40.335 2.2342 25.6 1.8 1.8 5.7
44 1 5 2 20.793 41.585 2.1699 56.8 4.0 3.9 5.7
45 3 5 1 20.987 41.974 2.1507 34.7 2.4 2.4 5.7
46 4 1 1 21.517 43.034 2.10014 99.8 7.0 6.9 5.7
47 0 8 1 21.565 43.13 2.09568 18.6 1.3 1.3 5.7
48 2 7 1 21.667 43.335 2.08624 47.7 3.3 3.3 5.7
49 3 0 2 21.773 43.546 2.07662 86.9 6.1 6.0 5.7
50 0 6 2 21.885 43.77 2.06652 94.0 6.6 6.5 5.7
51 3 1 2 21.924 43.849 2.06298 29.1 2.0 2.0 5.7
52 4 2 1 21.973 43.945 2.05867 56.1 3.9 3.9 5.7
53 1 8 1 22.158 44.315 2.04234 35.5 2.5 2.5 5.7
54 4 4 0 22.267 44.534 2.0328 22.5 1.6 1.6 5.7
55 3 2 2 22.373 44.747 2.02364 80.3 5.6 5.6 5.7
56 2 5 2 22.582 45.164 2.0059 33.9 2.4 2.3 5.7
57 3 6 1 22.654 45.307 1.99991 218.1 15.3 15.1 5.7
58 4 3 1 22.716 45.432 1.9947 55.6 3.9 3.8 5.7
59 3 3 2 23.107 46.213 1.96278 22.5 1.6 1.6 5.7
60 1 9 0 23.181 46.363 1.95679 146.0 10.2 10.1 5.7
61 4 4 1 23.726 47.452 1.91439 84.7 5.9 5.8 5.7
62 2 8 1 23.866 47.731 1.90385 38.3 2.7 2.6 5.7
63 0 9 1 24.053 48.105 1.88991 45.6 3.2 3.1 5.7
64 3 4 2 24.104 48.208 1.88612 38.8 2.7 2.7 5.7
65 1 7 2 24.335 48.671 1.86925 42.6 3.0 2.9 5.7
66 0 2 3 24.51 49.02 1.85676 58.5 4.1 4.0 5.7
67 1 9 1 24.598 49.197 1.8505 99.1 7.0 6.8 5.7
68 2 9 0 24.835 49.67 1.83398 22.3 1.6 1.5 5.7
69 4 5 1 24.978 49.957 1.82411 105.2 7.4 7.2 5.7
70 1 2 3 25.048 50.096 1.81936 17.8 1.2 1.2 5.7
71 5 1 0 25.146 50.291 1.81277 21.0 1.5 1.4 5.8
72 3 5 2 25.343 50.685 1.7996 38.5 2.7 2.6 5.8
73 5 2 0 25.551 51.102 1.7859 21.2 1.5 1.5 5.8
74 4 0 2 25.669 51.337 1.77825 163.5 11.5 11.2 5.8
75 1 3 3 25.723 51.446 1.77475 149.7 10.5 10.3 5.8
76 1 10 0 25.815 51.629 1.76888 223.8 15.7 15.4 5.8
77 0 8 2 25.844 51.688 1.767 33.0 2.3 2.3 5.8
78 2 0 3 26.089 52.179 1.75154 17.6 1.2 1.2 5.8
79 4 2 2 26.2 52.401 1.74464 107.6 7.6 7.4 5.8
80 4 6 1 26.45 52.899 1.72937 89.3 6.3 6.1 5.8
81 1 4 3 26.647 53.294 1.71748 145.5 10.2 10.0 5.8
82 3 6 2 26.799 53.599 1.70844 25.0 1.8 1.7 5.8
83 4 3 2 26.854 53.709 1.70519 111.9 7.9 7.7 5.8
84 1 10 1 27.129 54.259 1.6892 24.4 1.7 1.7 5.8
85 0 5 3 27.304 54.609 1.6792 68.0 4.8 4.7 5.8
86 2 10 0 27.35 54.7 1.6766 23.7 1.7 1.6 5.8
87 5 3 1 27.518 55.036 1.66719 207.7 14.6 14.2 5.8
88 4 4 2 27.752 55.505 1.6542 15.2 1.1 1.0 5.8
89 1 5 3 27.804 55.608 1.65138 30.3 2.1 2.1 5.8
90 0 9 2 28.045 56.09 1.63833 22.7 1.6 1.6 5.8
91 4 7 1 28.118 56.236 1.63441 115.6 8.1 7.9 5.8
92 2 4 3 28.151 56.303 1.63264 58.9 4.1 4.0 5.8
93 5 4 1 28.401 56.803 1.61944 17.5 1.2 1.2 5.8
94 3 7 2 28.454 56.907 1.61671 125.0 8.8 8.5 5.8
95 1 9 2 28.536 57.071 1.61246 53.5 3.8 3.7 5.8
96 2 10 1 28.616 57.233 1.60829 97.5 6.8 6.7 5.8
97 0 6 3 28.692 57.384 1.60442 368.9 25.9 25.2 5.8
98 4 8 0 28.738 57.476 1.60206 158.3 11.1 10.8 5.8
99 4 5 2 28.879 57.758 1.59491 57.0 4.0 3.9 5.8
100 3 2 3 29.095 58.19 1.5841 24.4 1.7 1.7 5.8
101 1 6 3 29.176 58.351 1.5801 37.0 2.6 2.5 5.8
102 2 5 3 29.268 58.536 1.57555 48.5 3.4 3.3 5.8
103 1 11 1 29.752 59.504 1.55222 45.5 3.2 3.1 5.8
104 2 9 2 29.977 59.954 1.54164 80.6 5.7 5.5 5.8
105 5 0 2 30.131 60.261 1.5345 45.3 3.2 3.1 5.8
106 4 6 2 30.22 60.439 1.53041 68.2 4.8 4.6 5.8
107 0 7 3 30.278 60.556 1.52773 53.8 3.8 3.6 5.8
108 3 4 3 30.549 61.098 1.51548 27.9 2.0 1.9 5.8
109 5 2 2 30.61 61.22 1.51275 82.3 5.8 5.6 5.8
110 5 6 1 30.836 61.671 1.50276 219.4 15.4 14.9 5.8
111 6 2 0 30.962 61.923 1.49725 45.9 3.2 3.1 5.8
112 5 3 2 31.203 62.406 1.48682 68.3 4.8 4.6 5.8
113 6 3 0 31.551 63.102 1.47209 16.0 1.1 1.1 5.9
114 3 5 3 31.613 63.226 1.46949 79.0 5.5 5.3 5.9
115 6 0 1 31.672 63.344 1.46704 14.4 1.0 1.0 5.9
116 4 7 2 31.759 63.519 1.46343 20.6 1.4 1.4 5.9
117 5 4 2 32.023 64.046 1.45265 27.8 2.0 1.9 5.9
118 6 2 1 32.138 64.276 1.448 56.6 4.0 3.8 5.9
119 2 10 2 32.223 64.446 1.44459 58.7 4.1 4.0 5.9
120 3 9 2 32.291 64.583 1.44187 54.0 3.8 3.6 5.9
121 4 2 3 32.361 64.721 1.43911 96.2 6.8 6.5 5.9
122 0 11 2 32.837 65.675 1.42051 20.5 1.4 1.4 5.9
123 3 6 3 32.887 65.775 1.41859 14.9 1.0 1.0 5.9
124 5 5 2 33.06 66.121 1.412 16.8 1.2 1.1 5.9
125 1 0 4 33.219 66.438 1.40602 75.3 5.3 5.1 5.9
126 1 11 2 33.285 66.571 1.40355 48.0 3.4 3.2 5.9
127 1 1 4 33.333 66.666 1.40177 48.1 3.4 3.2 5.9
128 3 11 1 33.426 66.853 1.39831 39.2 2.7 2.6 5.9
129 6 4 1 33.515 67.031 1.39503 35.2 2.5 2.4 5.9
130 1 2 4 33.674 67.348 1.38923 38.1 2.7 2.6 5.9
131 3 7 3 34.361 68.723 1.36475 19.3 1.4 1.3 5.9
132 2 11 2 34.612 69.224 1.35609 40.3 2.8 2.7 5.9
133 2 2 4 34.993 69.986 1.34317 50.7 3.6 3.4 5.9
134 6 1 2 35.21 70.421 1.33595 17.0 1.2 1.1 5.9
135 6 2 2 35.543 71.085 1.32508 19.2 1.3 1.3 5.9
136 5 7 2 35.753 71.505 1.31833 45.0 3.2 3.0 5.9
137 5 0 3 35.882 71.764 1.31421 25.5 1.8 1.7 5.9
138 5 1 3 35.992 71.984 1.31073 32.1 2.3 2.1 5.9
139 3 8 3 36.027 72.053 1.30964 18.1 1.3 1.2 5.9
140 0 10 3 36.108 72.215 1.3071 17.7 1.2 1.2 5.9
141 2 4 4 36.318 72.636 1.30057 18.4 1.3 1.2 6.0
142 1 10 3 36.537 73.074 1.29385 19.8 1.4 1.3 6.0
143 3 11 2 36.774 73.547 1.28669 21.9 1.5 1.5 6.0
144 5 3 3 36.867 73.735 1.28388 15.2 1.1 1.0 6.0
145 6 7 1 37.174 74.347 1.2748 37.2 2.6 2.5 6.0
146 5 8 2 37.392 74.783 1.26846 15.5 1.1 1.0 6.0
147 4 10 2 37.472 74.943 1.26614 19.9 1.4 1.3 6.0
148 6 5 2 37.834 75.669 1.25579 25.7 1.8 1.7 6.0
149 1 14 1 38.241 76.481 1.24447 25.5 1.8 1.7 6.0
150 2 14 0 38.425 76.85 1.2394 14.5 1.0 1.0 6.0
151 5 5 3 38.596 77.191 1.23478 23.6 1.7 1.6 6.0
152 3 13 1 38.707 77.413 1.23179 21.0 1.5 1.4 6.0
153 1 11 3 38.807 77.614 1.22911 20.3 1.4 1.3 6.0
154 4 12 1 38.966 77.932 1.22488 23.8 1.7 1.6 6.0
155 5 9 2 39.219 78.438 1.21825 46.9 3.3 3.1 6.0
156 3 5 4 39.404 78.807 1.21346 14.8 1.0 1.0 6.0
157 6 9 0 39.534 79.068 1.21011 16.7 1.2 1.1 6.0
158 4 1 4 39.768 79.536 1.20416 64.8 4.5 4.2 6.0
159 7 5 1 40.062 80.124 1.1968 29.1 2.0 1.9 6.0
160 7 1 2 40.709 81.418 1.18102 21.8 1.5 1.4 6.1
161 0 14 2 41.028 82.056 1.17344 15.5 1.1 1.0 6.1
162 1 12 3 41.249 82.498 1.16827 35.7 2.5 2.3 6.1
163 1 15 1 41.325 82.65 1.16651 31.8 2.2 2.1 6.1
164 6 3 3 41.473 82.946 1.16309 23.4 1.6 1.5 6.1
165 7 7 0 41.538 83.076 1.1616 41.3 2.9 2.7 6.1
166 0 9 4 41.599 83.199 1.1602 52.3 3.7 3.4 6.1
167 3 13 2 41.899 83.797 1.15343 19.4 1.4 1.3 6.1
168 3 7 4 41.943 83.885 1.15245 15.1 1.1 1.0 6.1
169 6 8 2 41.981 83.962 1.15159 16.7 1.2 1.1 6.1
170 4 12 2 42.154 84.307 1.14775 30.4 2.1 2.0 6.1
171 6 4 3 42.209 84.419 1.14652 50.0 3.5 3.2 6.1
172 2 12 3 42.485 84.971 1.14048 36.2 2.5 2.3 6.1
173 8 0 0 42.565 85.13 1.13875 47.6 3.3 3.1 6.1
174 4 10 3 42.802 85.603 1.13366 29.9 2.1 1.9 6.1
175 0 16 0 43.116 86.232 1.127 14.8 1.0 1.0 6.1
176 6 5 3 43.154 86.307 1.12621 16.8 1.2 1.1 6.1
177 5 11 2 43.439 86.879 1.12027 23.9 1.7 1.5 6.1
178 5 1 4 43.483 86.966 1.11936 30.2 2.1 1.9 6.1
179 6 9 2 43.763 87.527 1.11363 60.7 4.3 3.9 6.2
180 5 13 0 44.262 88.524 1.10365 16.3 1.1 1.0 6.2
181 3 15 1 44.612 89.224 1.09679 15.4 1.1 1.0 6.2
182 1 4 5 44.664 89.327 1.09579 19.4 1.4 1.2 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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