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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PROTOMANGANO_FERRO_ANTHOPHYLLITE
1, f-amphiboles, sf-Mg-Fe-amphiboles, s-anthophyllite
[Fe(0.3)Mn(0.7)](2)[Fe(0.82)Mg(0.18)](5)[Si(4)O(11)](2)(OH)(2)
Orthorhombic P nmn Z = 2
Pnmn
23 .10 .1998
Ref.Str.:
Sueno S., Matsuura S., Gibbs G.V., Bounsen M.B. (1998)
* Phys. Chem. Minerals, 25, 366-377
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.425 alpha = 90.0
b = 18.303 beta = 90.0
c = 5.345 gamma = 90.0
Unit cell volume (cub. angs.) = 922.04
Molar volume ( cub.cm/mol.) = 277.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0879 0.5 0.6 Fe = 0.88, Mg = 0.12
2 0.0 0.1795 0.0 0.58 Fe = 0.75, Mg = 0.25
3 0.0 0.0 0.0 0.54 Fe = 0.83, Mg = 0.17
4 0.0 0.261 0.5 0.8 Fe = 0.3 , Mn = 0.7
5 0.2841 0.0838 0.1646 0.37 Si = 1.00
6 0.2952 0.1678 0.6617 0.45 Si = 1.00
7 0.1127 0.0878 0.1622 0.6 O = 1.00
8 0.1235 0.1743 0.6649 0.67 O = 1.00
9 0.114 0.0 0.6599 0.68 O = 1.00
10 0.1201 0.2566 0.1847 0.72 O = 1.00
11 0.3445 0.1234 0.4131 0.8 O = 1.00
12 0.3473 0.1244 0.918 0.88 O = 1.00
13 0.3378 0.0 0.1622 0.95 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0879 0.5
2 2 0.0 0.1795 0.0
3 3 0.0 0.0 0.0
4 4 0.0 0.261 0.5
5 5 0.2841 0.0838 0.1646
6 6 0.2952 0.1678 0.6617
7 7 0.1127 0.0878 0.1622
8 8 0.1235 0.1743 0.6649
9 9 0.114 0.0 0.6599
10 10 0.1201 0.2566 0.1847
11 11 0.3445 0.1234 0.4131
12 12 0.3473 0.1244 0.918
13 13 0.3378 0.0 0.1622
14 1 0.0 0.9121 0.5
15 2 0.0 0.8205 0.0
16 4 0.0 0.739 0.5
17 5 0.7159 0.9162 0.8354
18 6 0.7048 0.8322 0.3383
19 7 0.8873 0.9122 0.8378
20 8 0.8765 0.8257 0.3351
21 9 0.886 0.0 0.3401
22 10 0.8799 0.7434 0.8153
23 11 0.6555 0.8766 0.5869
24 12 0.6527 0.8756 0.082
25 13 0.6622 0.0 0.8378
26 5 0.2841 0.9162 0.1646
27 6 0.2952 0.8322 0.6617
28 7 0.1127 0.9122 0.1622
29 8 0.1235 0.8257 0.6649
30 10 0.1201 0.7434 0.1847
31 11 0.3445 0.8766 0.4131
32 12 0.3473 0.8756 0.918
33 5 0.7159 0.0838 0.8354
34 6 0.7048 0.1678 0.3383
35 7 0.8873 0.0878 0.8378
36 8 0.8765 0.1743 0.3351
37 10 0.8799 0.2566 0.8153
38 11 0.6555 0.1234 0.5869
39 12 0.6527 0.1244 0.082
40 1 0.5 0.5879 0.0
41 2 0.5 0.6795 0.5
42 3 0.5 0.5 0.5
43 4 0.5 0.761 0.0
44 5 0.2159 0.5838 0.6646
45 6 0.2048 0.6678 0.1617
46 7 0.3873 0.5878 0.6622
47 8 0.3765 0.6743 0.1649
48 9 0.386 0.5 0.1599
49 10 0.3799 0.7566 0.6847
50 11 0.1555 0.6234 0.9131
51 12 0.1527 0.6244 0.418
52 13 0.1622 0.5 0.6622
53 1 0.5 0.4121 0.0
54 2 0.5 0.3205 0.5
55 4 0.5 0.239 0.0
56 5 0.7841 0.4162 0.3354
57 6 0.7952 0.3322 0.8383
58 7 0.6127 0.4122 0.3378
59 8 0.6235 0.3257 0.8351
60 9 0.614 0.5 0.8401
61 10 0.6201 0.2434 0.3153
62 11 0.8445 0.3766 0.0869
63 12 0.8473 0.3756 0.582
64 13 0.8378 0.5 0.3378
65 5 0.2159 0.4162 0.6646
66 6 0.2048 0.3322 0.1617
67 7 0.3873 0.4122 0.6622
68 8 0.3765 0.3257 0.1649
69 10 0.3799 0.2434 0.6847
70 11 0.1555 0.3766 0.9131
71 12 0.1527 0.3756 0.418
72 5 0.7841 0.5838 0.3354
73 6 0.7952 0.6678 0.8383
74 7 0.6127 0.5878 0.3378
75 8 0.6235 0.6743 0.8351
76 10 0.6201 0.7566 0.3153
77 11 0.8445 0.6234 0.0869
78 12 0.8473 0.6244 0.582
X-ray density (g/cm cub.) = 3.49
MU (1/cm) = 437.932 Mass attenuation coefficient (cm**2/g) = 125.399
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Mg 2.592 6
2.0948 7
2.1516 8
2.1157 9
2.1157 9
2.0948 7
2.1516 8
2 Fe ,Mg 2.592 6
2.1678 7
2.1383 8
2.0604 10
2.1678 7
2.1383 8
2.0604 10
3 Fe ,Mg 2.592 6
2.1124 7
2.1116 9
2.1124 7
2.1116 9
2.1124 7
2.1124 7
4 Fe ,Mn 2.724 6
2.1558 8
2.0317 10
2.1558 8
2.0317 10
2.5819 12
2.5819 12
5 Si 2.1 4
1.6172 7
1.6167 11
1.6261 12
1.6152 13
6 Si 2.1 4
1.6227 8
1.6254 11
1.658 12
1.6022 10
7 O 3.264 12
3.1203 8
3.0955 8
3.1079 9
3.129 9
3.0927 10
2.645 11
2.6536 12
2.6615 13
2.8376 9
3.214 7
2.7422 7
2.8838 8
8 O 3.264 11
3.0955 7
3.1203 7
3.1916 9
3.1606 10
2.9762 10
2.6491 11
2.6671 12
2.8838 7
2.9201 8
2.8612 10
2.7296 10
9 O 3.264 9
3.129 7
3.1079 7
3.1916 8
2.8376 7
2.7458 9
3.129 7
3.1079 7
3.1916 8
2.8376 7
10 O 3.264 8
3.0927 7
2.9762 8
3.1606 8
2.8612 8
3.0039 10
2.7296 8
2.6538 11
2.5285 12
11 O 3.264 7
2.645 7
2.6491 8
2.6989 12
2.6465 12
2.6275 13
3.0749 11
2.6538 10
12 O 3.264 7
2.6536 7
2.6671 8
2.6465 11
2.6989 11
2.626 13
3.0089 12
2.5285 10
13 O 3.264 6
2.6615 7
2.6275 11
2.626 12
2.6615 7
2.6275 11
2.626 12
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 4.828 9.657 0.055 279.32 2 70.6 327.7
2 1 1 0 5.274 10.549 0.06 233.7 4 130.1 1860.1
3 0 1 1 8.635 17.269 0.097 85.8 4 38.5 59.9
4 1 3 0 8.65 17.3 0.098 85.48 4 16.7 11.2
5 2 0 0 9.407 18.815 0.106 71.93 2 81.3 111.9
6 1 0 1 9.536 19.073 0.108 69.94 4 50.8 85.0
7 0 4 0 9.691 19.383 0.109 67.65 2 88.8 125.6
8 1 1 1 9.842 19.684 0.111 65.53 8 46.7 134.7
9 2 2 0 10.594 21.189 0.119 56.26 4 67.1 119.2
10 1 2 1 10.709 21.419 0.121 55.01 8 14.7 11.2
11 0 3 1 11.046 22.092 0.124 51.59 4 31.5 24.0
12 1 3 1 12.023 24.045 0.135 43.22 8 110.5 496.4
13 2 0 1 12.586 25.173 0.141 39.25 4 13.2 3.2
14 2 1 1 12.823 25.646 0.144 37.74 8 11.9 5.0
15 1 5 0 13.046 26.093 0.147 36.39 4 29.3 14.7
16 2 2 1 13.509 27.019 0.152 33.8 8 78.4 195.6
17 2 4 0 13.57 27.141 0.152 33.48 4 156.1 383.8
18 1 4 1 13.662 27.324 0.153 33.01 8 17.0 9.0
19 3 1 0 14.405 28.809 0.161 29.49 4 243.2 820.5
20 2 3 1 14.587 29.173 0.163 28.71 8 85.4 197.0
21 0 6 0 14.626 29.252 0.164 28.55 2 51.6 17.9
22 0 5 1 14.776 29.552 0.166 27.93 4 80.1 84.2
23 1 5 1 15.534 31.069 0.174 25.09 8 144.8 494.9
24 2 4 1 15.984 31.967 0.179 23.59 8 7.3 1.2
25 3 3 0 16.008 32.017 0.179 23.51 4 104.8 121.5
26 3 0 1 16.523 33.046 0.185 21.96 4 41.6 17.9
27 3 1 1 16.708 33.416 0.187 21.43 8 27.0 14.7
28 0 0 2 16.752 33.503 0.187 21.31 2 122.3 75.0
29 3 2 1 17.253 34.506 0.193 19.99 8 76.8 111.0
30 1 0 2 17.433 34.866 0.194 19.54 4 178.2 292.0
31 0 2 2 17.473 34.947 0.195 19.44 4 33.7 10.4
32 2 6 0 17.505 35.011 0.195 19.36 4 52.9 25.5
33 1 6 1 17.578 35.156 0.196 19.19 8 185.5 621.2
34 1 1 2 17.61 35.219 0.196 19.11 8 89.4 143.9
35 2 5 1 17.633 35.267 0.197 19.06 8 214.0 821.6
36 1 7 0 17.802 35.603 0.198 18.67 4 21.5 4.1
37 3 3 1 18.129 36.259 0.202 17.93 8 28.0 13.2
38 1 2 2 18.131 36.262 0.202 17.93 8 1.6 0.0
39 3 5 0 18.85 37.701 0.21 16.46 4 57.7 25.8
40 1 3 2 18.972 37.944 0.211 16.23 8 1.5 0.0
41 4 0 0 19.081 38.163 0.212 16.02 2 95.4 34.3
42 0 7 1 19.145 38.289 0.213 15.91 4 18.3 2.5
43 3 4 1 19.298 38.597 0.215 15.63 8 4.1 0.2
44 2 0 2 19.351 38.701 0.215 15.53 4 277.2 561.6
45 2 6 1 19.484 38.967 0.217 15.3 8 77.2 85.8
46 0 4 2 19.499 38.997 0.217 15.27 4 13.0 1.2
47 2 1 2 19.512 39.025 0.217 15.25 8 55.5 44.2
48 0 8 0 19.675 39.349 0.219 14.97 2 55.7 10.9
49 4 2 0 19.729 39.458 0.219 14.88 4 23.0 3.7
50 1 7 1 19.754 39.508 0.219 14.84 8 93.1 121.0
51 2 2 2 19.991 39.982 0.222 14.45 8 40.0 21.7
52 1 4 2 20.099 40.198 0.223 14.28 8 20.4 5.6
53 3 5 1 20.719 41.438 0.23 13.34 8 4.0 0.2
54 2 3 2 20.768 41.536 0.23 13.27 8 40.8 20.7
55 4 0 1 20.932 41.865 0.232 13.04 4 15.4 1.5
56 4 1 1 21.084 42.168 0.234 12.83 8 16.0 3.1
57 1 5 2 21.475 42.951 0.238 12.31 8 16.4 3.1
58 2 7 1 21.496 42.991 0.238 12.29 8 81.6 77.0
59 4 2 1 21.534 43.067 0.238 12.24 8 61.8 44.0
60 4 4 0 21.574 43.148 0.239 12.19 4 30.3 5.3
61 2 4 2 21.818 43.636 0.241 11.88 8 32.1 11.5
62 2 8 0 21.979 43.957 0.243 11.69 4 46.4 11.8
63 1 8 1 22.039 44.078 0.244 11.62 8 59.8 39.1
64 3 0 2 22.235 44.469 0.246 11.39 4 18.1 1.7
65 4 3 1 22.267 44.533 0.246 11.35 8 32.0 11.0
66 3 6 1 22.354 44.707 0.247 11.25 8 202.3 433.2
67 3 1 2 22.379 44.758 0.247 11.22 8 109.0 125.4
68 0 6 2 22.531 45.063 0.249 11.05 4 30.1 4.7
69 3 7 0 22.537 45.073 0.249 11.05 4 58.9 18.0
70 1 9 0 22.798 45.596 0.252 10.76 4 68.2 23.6
71 3 2 2 22.808 45.617 0.252 10.75 8 9.9 1.0
72 1 6 2 23.067 46.134 0.254 10.48 8 9.2 0.8
73 2 5 2 23.111 46.222 0.255 10.43 8 49.9 24.5
74 4 4 1 23.262 46.524 0.256 10.28 8 7.5 0.5
75 3 3 2 23.51 47.02 0.259 10.04 8 31.8 9.6
76 2 8 1 23.644 47.287 0.26 9.91 8 11.8 1.3
77 0 9 1 23.907 47.814 0.263 9.66 4 60.5 16.7
78 3 7 1 24.172 48.344 0.266 9.43 8 30.4 8.2
79 5 1 0 24.255 48.51 0.267 9.35 4 53.1 12.4
80 4 6 0 24.398 48.796 0.268 9.23 4 45.4 8.9
81 1 9 1 24.419 48.839 0.268 9.21 8 77.6 52.1
82 3 4 2 24.466 48.932 0.269 9.17 8 68.8 40.9
83 4 5 1 24.496 48.992 0.269 9.14 8 157.8 214.1
84 2 6 2 24.62 49.24 0.27 9.04 8 34.8 10.3
85 1 7 2 24.845 49.69 0.273 8.85 8 3.6 0.1
86 0 10 0 24.888 49.776 0.273 8.82 2 77.2 12.4
87 5 3 0 25.321 50.643 0.278 8.48 4 58.9 13.9
88 3 5 2 25.656 51.313 0.281 8.23 8 26.5 5.4
89 5 0 1 25.677 51.355 0.281 8.21 4 38.0 5.6
90 0 1 3 25.746 51.492 0.282 8.16 4 28.5 3.1
91 5 1 1 25.807 51.614 0.283 8.12 8 12.5 1.2
92 4 0 2 25.838 51.676 0.283 8.1 4 206.5 162.5
93 2 9 1 25.911 51.822 0.284 8.05 8 26.0 5.1
94 4 6 1 25.944 51.888 0.284 8.02 8 101.7 78.1
95 4 1 2 25.967 51.934 0.284 8.01 8 62.2 29.2
96 1 0 3 26.103 52.207 0.286 7.91 4 44.6 7.4
97 3 8 1 26.15 52.3 0.286 7.88 8 51.6 19.8
98 5 2 1 26.193 52.387 0.287 7.85 8 4.4 0.1
99 1 1 3 26.232 52.463 0.287 7.82 8 1.0 0.0
100 0 8 2 26.308 52.616 0.288 7.77 4 57.4 12.1
101 2 7 2 26.319 52.638 0.288 7.77 8 33.8 8.3
102 4 2 2 26.352 52.703 0.288 7.74 8 56.5 23.3
103 1 2 3 26.614 53.227 0.291 7.57 8 61.2 26.7
104 0 3 3 26.769 53.538 0.292 7.47 4 130.2 59.6
105 1 8 2 26.787 53.574 0.293 7.46 8 88.3 54.8
106 3 9 0 26.82 53.641 0.293 7.44 4 3.6 0.0
107 5 3 1 26.829 53.657 0.293 7.43 8 17.7 2.2
108 2 10 0 26.838 53.677 0.293 7.43 4 26.6 2.5
109 1 10 1 26.89 53.781 0.294 7.39 8 29.9 6.2
110 4 3 2 26.984 53.968 0.295 7.34 8 14.9 1.5
111 3 6 2 27.06 54.119 0.295 7.29 8 0.2 0.0
112 1 3 3 27.242 54.484 0.297 7.18 8 5.4 0.2
113 5 5 0 27.363 54.727 0.298 7.11 4 16.0 0.9
114 2 0 3 27.529 55.059 0.3 7.01 4 9.4 0.3
115 4 7 1 27.585 55.169 0.301 6.98 8 27.6 5.0
116 2 1 3 27.653 55.306 0.301 6.94 8 35.1 8.0
117 5 4 1 27.701 55.402 0.302 6.91 8 8.4 0.5
118 4 4 2 27.853 55.706 0.303 6.83 8 95.0 58.0
119 4 8 0 27.987 55.975 0.305 6.75 4 87.5 24.3
120 2 2 3 28.022 56.043 0.305 6.73 8 6.3 0.2
121 1 11 0 28.04 56.081 0.305 6.72 4 225.7 161.1
122 1 4 3 28.106 56.211 0.306 6.69 8 3.5 0.1
123 2 8 2 28.189 56.378 0.307 6.64 8 23.3 3.4
124 3 9 1 28.272 56.543 0.307 6.6 8 32.1 6.4
125 2 10 1 28.289 56.578 0.308 6.59 8 55.5 19.1
126 2 3 3 28.629 57.258 0.311 6.41 8 32.9 6.5
127 3 7 2 28.656 57.313 0.311 6.4 8 31.7 6.1
128 0 5 3 28.739 57.479 0.312 6.36 4 278.7 232.4
129 5 5 1 28.796 57.592 0.313 6.33 8 8.3 0.4
130 1 9 2 28.877 57.753 0.313 6.29 8 38.6 8.8
131 4 5 2 28.945 57.889 0.314 6.26 8 21.7 2.8
132 0 11 1 29.002 58.005 0.315 6.23 4 0.6 0.0
133 1 5 3 29.191 58.382 0.317 6.14 8 6.8 0.3
134 6 0 0 29.365 58.729 0.318 6.06 2 213.7 65.1
135 4 8 1 29.4 58.801 0.319 6.04 8 16.2 1.5
136 1 11 1 29.451 58.903 0.319 6.02 8 28.9 4.7
137 2 4 3 29.466 58.932 0.319 6.01 8 14.7 1.2
138 3 0 3 29.803 59.606 0.323 5.86 4 29.2 2.4
139 6 2 0 29.837 59.674 0.323 5.84 4 39.4 4.3
140 3 1 3 29.921 59.841 0.324 5.81 8 0.4 0.0
141 5 0 2 30.004 60.008 0.325 5.77 4 27.5 2.1
142 5 6 1 30.1 60.2 0.326 5.73 8 267.8 386.6
143 5 1 2 30.121 60.242 0.326 5.72 8 143.6 111.0
144 2 9 2 30.215 60.43 0.327 5.68 8 41.4 9.2
145 4 6 2 30.244 60.489 0.327 5.67 8 31.1 5.2
146 5 7 0 30.249 60.498 0.327 5.67 4 15.2 0.6
147 3 2 3 30.271 60.543 0.327 5.66 8 38.3 7.8
148 0 12 0 30.333 60.665 0.328 5.63 2 311.4 128.5
149 3 8 2 30.431 60.862 0.329 5.59 8 36.2 6.9
150 5 2 2 30.47 60.941 0.329 5.58 8 10.0 0.5
151 1 6 3 30.484 60.969 0.329 5.57 8 214.4 241.0
152 2 5 3 30.521 61.041 0.33 5.56 8 66.4 23.1
153 3 10 1 30.526 61.053 0.33 5.55 8 73.7 28.4
154 0 10 2 30.67 61.339 0.331 5.5 4 30.5 2.4
155 6 0 1 30.737 61.475 0.332 5.47 4 10.0 0.3
156 2 11 1 30.774 61.549 0.332 5.45 8 26.1 3.5
157 3 3 3 30.851 61.702 0.333 5.42 8 4.5 0.1
158 6 1 1 30.853 61.705 0.333 5.42 8 0.2 0.0
159 5 3 2 31.048 62.095 0.335 5.35 8 41.3 8.6
160 1 10 2 31.104 62.208 0.335 5.33 8 18.8 1.8
161 6 2 1 31.197 62.395 0.336 5.29 8 38.1 7.2
162 6 4 0 31.229 62.457 0.337 5.28 4 3.4 0.0
163 4 9 1 31.377 62.755 0.338 5.23 8 11.4 0.6
164 0 7 3 31.545 63.09 0.34 5.17 4 137.6 46.0
165 3 11 0 31.591 63.182 0.34 5.15 4 150.1 54.6
166 5 7 1 31.599 63.197 0.34 5.15 8 25.3 3.1
167 3 4 3 31.652 63.303 0.341 5.13 8 16.3 1.3
168 4 7 2 31.739 63.478 0.341 5.1 8 25.0 3.0
169 6 3 1 31.767 63.534 0.342 5.09 8 13.3 0.8
170 2 6 3 31.782 63.563 0.342 5.08 8 7.9 0.3
171 5 4 2 31.846 63.691 0.342 5.06 8 79.0 29.7
172 1 7 3 31.972 63.945 0.344 5.02 8 8.1 0.3
173 2 12 0 32.06 64.121 0.345 4.99 4 46.4 5.1
174 1 12 1 32.107 64.214 0.345 4.97 8 28.2 3.7
175 4 10 0 32.202 64.403 0.346 4.94 4 28.1 1.8
176 3 9 2 32.371 64.742 0.348 4.88 8 2.1 0.0
177 2 10 2 32.387 64.774 0.348 4.88 8 39.2 7.0
178 6 4 1 32.555 65.11 0.349 4.82 8 4.3 0.1
179 3 5 3 32.665 65.33 0.35 4.79 8 2.3 0.0
180 4 0 3 32.821 65.642 0.352 4.74 4 1.9 0.0
181 5 5 2 32.856 65.712 0.352 4.73 8 7.2 0.2
182 3 11 1 32.91 65.819 0.353 4.71 8 13.1 0.8
183 4 1 3 32.932 65.865 0.353 4.71 8 14.3 0.9
184 2 7 3 33.237 66.474 0.356 4.61 8 25.1 2.7
185 4 2 3 33.265 66.53 0.356 4.61 8 5.4 0.1
186 5 8 1 33.28 66.56 0.356 4.6 8 56.5 13.8
187 2 12 1 33.369 66.738 0.357 4.58 8 8.6 0.3
188 4 8 2 33.417 66.833 0.357 4.56 8 19.4 1.6
189 1 11 2 33.464 66.929 0.358 4.55 8 145.9 91.0
190 6 6 0 33.474 66.948 0.358 4.54 4 15.0 0.5
191 4 10 1 33.507 67.015 0.358 4.54 8 48.8 10.2
192 6 5 1 33.554 67.108 0.359 4.52 8 143.5 87.6
193 1 13 0 33.585 67.17 0.359 4.51 4 0.4 0.0
194 1 8 3 33.644 67.288 0.36 4.5 8 53.3 12.0
195 4 3 3 33.816 67.632 0.361 4.45 8 28.3 3.4
196 5 9 0 33.861 67.722 0.362 4.44 4 28.7 1.7
197 3 6 3 33.882 67.764 0.362 4.43 8 172.7 124.4
198 5 6 2 34.069 68.139 0.364 4.38 8 28.8 3.4
199 0 13 1 34.455 68.911 0.367 4.28 4 27.2 1.5
200 3 10 2 34.468 68.937 0.367 4.28 8 3.1 0.0
201 4 4 3 34.58 69.16 0.368 4.25 8 0.9 0.0
202 6 0 2 34.666 69.333 0.369 4.23 4 193.2 74.2
203 2 11 2 34.701 69.402 0.37 4.22 8 11.1 0.5
204 6 6 1 34.755 69.511 0.37 4.2 8 168.3 112.0
205 6 1 2 34.775 69.55 0.37 4.2 8 116.0 53.2
206 1 13 1 34.865 69.729 0.371 4.18 8 24.9 2.4
207 2 8 3 34.878 69.755 0.371 4.17 8 10.9 0.5
208 7 1 0 35.004 70.008 0.372 4.14 4 133.4 34.7
209 0 9 3 35.085 70.169 0.373 4.12 4 70.8 9.7
210 6 2 2 35.099 70.198 0.373 4.12 8 29.2 3.3
211 5 9 1 35.136 70.271 0.374 4.11 8 7.6 0.2
212 0 0 4 35.201 70.402 0.374 4.1 2 25.6 0.6
213 4 9 2 35.269 70.538 0.375 4.08 8 55.0 11.6
214 3 7 3 35.294 70.587 0.375 4.08 8 2.1 0.0
215 3 12 1 35.422 70.844 0.376 4.05 8 28.4 3.1
216 5 7 2 35.477 70.955 0.377 4.03 8 1.3 0.0
217 1 9 3 35.49 70.981 0.377 4.03 8 8.9 0.3
218 4 5 3 35.551 71.103 0.377 4.02 8 116.9 51.6
219 0 12 2 35.555 71.109 0.377 4.02 4 2.6 0.0
220 1 0 4 35.606 71.213 0.378 4.0 4 180.6 61.4
221 0 2 4 35.631 71.262 0.378 4.0 4 40.4 3.1
222 6 3 2 35.637 71.273 0.378 4.0 8 76.2 21.8
223 1 1 4 35.714 71.427 0.379 3.98 8 82.0 25.2
224 4 11 1 35.786 71.572 0.38 3.97 8 3.6 0.0
225 7 3 0 35.864 71.727 0.38 3.95 4 56.7 6.0
226 1 12 2 35.958 71.916 0.381 3.93 8 182.4 123.0
227 1 2 4 36.034 72.068 0.382 3.91 8 3.2 0.0
228 2 13 1 36.079 72.159 0.382 3.9 8 6.6 0.2
229 0 14 0 36.099 72.199 0.382 3.9 2 67.3 4.2
230 6 7 1 36.152 72.303 0.383 3.89 8 50.5 9.3
231 7 0 1 36.154 72.309 0.383 3.89 4 31.9 1.9
232 7 1 1 36.261 72.522 0.384 3.86 8 4.0 0.1
233 6 4 2 36.383 72.767 0.385 3.84 8 6.4 0.1
234 6 8 0 36.5 72.999 0.386 3.82 4 59.5 6.4
235 5 0 3 36.505 73.01 0.386 3.82 4 17.1 0.5
236 1 3 4 36.566 73.132 0.387 3.8 8 24.7 2.2
237 7 2 1 36.579 73.159 0.387 3.8 8 44.9 7.2
238 5 1 3 36.611 73.222 0.387 3.79 8 0.4 0.0
239 2 9 3 36.696 73.393 0.388 3.78 8 59.8 12.7
240 3 11 2 36.72 73.441 0.388 3.77 8 114.2 46.3
241 4 6 3 36.723 73.447 0.388 3.77 8 6.5 0.1
242 2 0 4 36.811 73.622 0.389 3.76 4 219.8 85.3
243 3 13 0 36.836 73.673 0.389 3.75 4 12.9 0.3
244 3 8 3 36.893 73.785 0.39 3.74 8 42.7 6.4
245 0 4 4 36.908 73.815 0.39 3.74 4 83.1 12.1
246 2 1 4 36.917 73.833 0.39 3.74 8 30.0 3.2
247 5 2 3 36.929 73.857 0.39 3.73 8 70.0 17.2
248 4 12 0 36.984 73.968 0.391 3.72 4 135.8 32.3
249 5 8 2 37.073 74.146 0.391 3.71 8 12.7 0.6
250 7 3 1 37.108 74.216 0.392 3.7 8 19.4 1.3
251 2 12 2 37.158 74.316 0.392 3.69 8 170.5 101.0
252 5 10 1 37.16 74.32 0.392 3.69 8 12.0 0.5
253 2 2 4 37.233 74.466 0.393 3.68 8 28.7 2.9
254 4 10 2 37.29 74.58 0.393 3.67 8 25.3 2.2
255 1 4 4 37.305 74.611 0.393 3.66 8 58.2 11.7
256 6 5 2 37.335 74.67 0.394 3.66 8 26.9 2.5
257 5 3 3 37.455 74.911 0.395 3.64 8 0.3 0.0
258 1 10 3 37.507 75.014 0.395 3.63 8 64.0 14.0
259 7 5 0 37.558 75.116 0.396 3.62 4 3.1 0.0
260 2 14 0 37.694 75.388 0.397 3.6 4 38.9 2.6
261 6 8 1 37.736 75.473 0.397 3.59 8 22.8 1.8
262 1 14 1 37.737 75.474 0.397 3.59 8 11.5 0.4
263 2 3 4 37.758 75.517 0.397 3.58 8 31.4 3.3
264 7 4 1 37.844 75.688 0.398 3.57 8 4.1 0.1
265 3 13 1 38.069 76.138 0.4 3.53 8 23.0 1.8
266 4 7 3 38.09 76.181 0.4 3.53 8 54.6 9.9
267 5 11 0 38.133 76.266 0.401 3.52 4 8.2 0.1
268 5 4 3 38.189 76.377 0.401 3.51 8 1.4 0.0
269 4 12 1 38.215 76.43 0.402 3.51 8 4.5 0.1
270 1 5 4 38.248 76.497 0.402 3.5 8 9.6 0.3
271 6 6 2 38.486 76.973 0.404 3.47 8 46.5 7.1
272 2 4 4 38.49 76.979 0.404 3.47 8 2.6 0.0
273 1 13 2 38.591 77.182 0.405 3.45 8 10.5 0.4
274 3 9 3 38.674 77.349 0.406 3.44 8 2.2 0.0
275 2 10 3 38.689 77.379 0.406 3.44 8 2.8 0.0
276 7 5 1 38.783 77.565 0.407 3.42 8 36.6 4.3
277 3 0 4 38.787 77.574 0.407 3.42 4 5.9 0.1
278 5 9 2 38.852 77.704 0.407 3.41 8 51.6 8.6
279 3 1 4 38.891 77.781 0.408 3.41 8 35.6 4.1
280 2 14 1 38.917 77.834 0.408 3.4 8 36.4 4.2
281 0 6 4 39.001 78.001 0.409 3.39 4 37.2 2.2
282 5 5 3 39.125 78.25 0.41 3.37 8 1.0 0.0
283 3 12 2 39.128 78.256 0.41 3.37 8 16.6 0.9
284 3 2 4 39.202 78.404 0.41 3.36 8 13.1 0.5
285 0 11 3 39.303 78.606 0.411 3.35 4 41.1 2.7
286 5 11 1 39.352 78.704 0.412 3.34 8 10.5 0.3
287 1 6 4 39.391 78.783 0.412 3.33 8 5.5 0.1
288 2 5 4 39.424 78.847 0.412 3.33 8 21.3 1.4
289 4 11 2 39.48 78.96 0.413 3.32 8 89.7 25.2
290 6 9 1 39.505 79.011 0.413 3.32 8 14.0 0.6
291 1 15 0 39.534 79.069 0.413 3.32 4 20.8 0.7
292 4 8 3 39.648 79.297 0.414 3.3 8 2.3 0.0
293 1 11 3 39.693 79.386 0.415 3.29 8 1.8 0.0
294 3 3 4 39.719 79.438 0.415 3.29 8 16.4 0.8
295 2 13 2 39.763 79.527 0.415 3.28 8 49.7 7.6
296 6 7 2 39.834 79.667 0.416 3.28 8 4.7 0.1
297 7 0 2 39.836 79.672 0.416 3.28 4 47.7 3.5
298 7 6 1 39.921 79.842 0.417 3.26 8 62.3 11.9
299 7 1 2 39.939 79.879 0.417 3.26 8 21.3 1.4
300 7 7 0 40.052 80.105 0.418 3.25 4 42.1 2.7
301 7 2 2 40.248 80.497 0.419 3.22 8 1.9 0.0
302 6 10 0 40.255 80.511 0.419 3.22 4 22.6 0.8
303 5 6 3 40.261 80.521 0.42 3.22 8 20.4 1.3
304 0 15 1 40.354 80.709 0.42 3.21 4 24.2 0.9
305 3 4 4 40.44 80.88 0.421 3.2 8 34.2 3.5
306 2 6 4 40.557 81.115 0.422 3.19 8 21.1 1.3
307 3 10 3 40.637 81.274 0.423 3.18 8 18.8 1.1
308 1 7 4 40.73 81.461 0.424 3.17 8 17.2 0.9
309 1 15 1 40.742 81.484 0.424 3.17 8 54.5 8.8
310 7 3 2 40.762 81.524 0.424 3.16 8 28.9 2.5
311 4 13 1 40.8 81.6 0.424 3.16 8 17.1 0.9
312 5 10 2 40.812 81.625 0.424 3.16 8 2.6 0.0
313 6 0 3 40.824 81.648 0.424 3.16 4 8.2 0.1
314 8 0 0 40.83 81.66 0.424 3.16 2 165.7 20.4
315 2 11 3 40.857 81.714 0.425 3.15 8 10.2 0.3
316 3 14 1 40.862 81.724 0.425 3.15 8 27.4 2.2
317 6 1 3 40.926 81.853 0.425 3.15 8 16.0 0.8
318 0 14 2 40.989 81.977 0.426 3.14 4 26.1 1.0
319 6 2 3 41.234 82.468 0.428 3.11 8 9.7 0.3
320 8 2 0 41.24 82.48 0.428 3.11 4 30.6 1.4
321 7 7 1 41.256 82.512 0.428 3.11 8 20.1 1.2
322 3 5 4 41.363 82.725 0.429 3.1 8 12.7 0.5
323 6 8 2 41.374 82.748 0.429 3.1 8 21.7 1.4
324 1 14 2 41.375 82.749 0.429 3.1 8 7.5 0.2
325 4 9 3 41.395 82.79 0.429 3.1 8 6.6 0.1
326 6 10 1 41.458 82.916 0.43 3.09 8 29.0 2.4
327 7 4 2 41.479 82.958 0.43 3.09 8 9.0 0.2
328 4 0 4 41.506 83.011 0.43 3.09 4 154.7 34.8
329 5 7 3 41.593 83.187 0.431 3.08 8 0.9 0.0
330 4 1 4 41.608 83.216 0.431 3.08 8 76.3 16.8
331 3 13 2 41.699 83.398 0.432 3.07 8 44.2 5.6
332 5 12 1 41.715 83.431 0.432 3.07 8 28.0 2.3
333 6 3 3 41.745 83.49 0.432 3.06 8 42.2 5.1
334 4 12 2 41.842 83.683 0.433 3.05 8 128.0 47.1
335 0 8 4 41.88 83.759 0.433 3.05 4 18.5 0.5
336 2 7 4 41.888 83.777 0.433 3.05 8 17.3 0.9
337 2 15 1 41.9 83.799 0.433 3.05 8 36.8 3.9
338 4 2 4 41.914 83.829 0.434 3.05 8 21.7 1.3
339 8 0 1 42.029 84.059 0.435 3.04 4 5.7 0.0
340 1 12 3 42.052 84.104 0.435 3.03 8 28.5 2.3
341 8 1 1 42.131 84.263 0.435 3.03 8 8.0 0.2
342 1 8 4 42.264 84.529 0.437 3.01 8 4.7 0.1
343 0 16 0 42.327 84.654 0.437 3.01 2 41.2 1.2
344 4 14 0 42.361 84.723 0.437 3.01 4 13.0 0.2
345 7 5 2 42.397 84.795 0.438 3.0 8 22.1 1.4
346 4 3 4 42.424 84.848 0.438 3.0 8 45.4 5.8
347 8 2 1 42.437 84.875 0.438 3.0 8 35.5 3.6
348 6 4 3 42.459 84.918 0.438 3.0 8 8.5 0.2
349 8 4 0 42.465 84.93 0.438 3.0 4 51.1 3.7
350 3 6 4 42.485 84.971 0.438 3.0 8 1.4 0.0
351 2 14 2 42.529 85.059 0.439 2.99 8 33.8 3.2
352 3 15 0 42.626 85.253 0.44 2.98 4 17.9 0.4
353 3 11 3 42.783 85.565 0.441 2.97 8 1.0 0.0
354 7 8 1 42.787 85.573 0.441 2.97 8 33.8 3.2
355 8 3 1 42.946 85.893 0.442 2.96 8 36.0 3.6
356 5 11 2 42.957 85.913 0.442 2.96 8 178.7 88.9
357 5 13 0 43.068 86.136 0.443 2.95 4 76.4 8.1
358 6 9 2 43.107 86.215 0.444 2.95 8 43.3 5.2
359 5 8 3 43.122 86.245 0.444 2.94 8 17.0 0.8
360 4 4 4 43.137 86.273 0.444 2.94 8 28.8 2.3
361 2 12 3 43.204 86.408 0.444 2.94 8 4.8 0.1
362 7 9 0 43.323 86.646 0.445 2.93 4 107.6 16.0
363 4 10 3 43.332 86.663 0.445 2.93 8 4.9 0.1
364 6 5 3 43.375 86.75 0.446 2.93 8 65.5 11.8
365 2 8 4 43.416 86.832 0.446 2.92 8 9.6 0.3
366 7 6 2 43.517 87.033 0.447 2.92 8 35.9 3.5
367 4 14 1 43.554 87.109 0.447 2.91 8 41.6 4.7
368 6 11 1 43.598 87.195 0.448 2.91 8 16.7 0.8
369 8 4 1 43.658 87.316 0.448 2.91 8 8.0 0.2
370 3 7 4 43.808 87.615 0.449 2.9 8 6.6 0.1
371 3 15 1 43.819 87.637 0.449 2.9 8 22.4 1.4
372 2 16 0 43.861 87.722 0.45 2.89 4 55.2 4.2
373 1 16 1 43.903 87.806 0.45 2.89 8 48.4 6.4
374 1 9 4 43.993 87.987 0.451 2.88 8 18.0 0.9
375 4 5 4 44.051 88.102 0.451 2.88 8 20.8 1.2
376 0 13 3 44.211 88.423 0.453 2.87 4 20.8 0.6
377 5 13 1 44.259 88.519 0.453 2.87 8 12.6 0.4
378 1 15 2 44.327 88.654 0.454 2.86 8 11.9 0.4
379 4 13 2 44.385 88.77 0.454 2.86 8 73.0 14.4
380 3 14 2 44.446 88.892 0.455 2.86 8 8.8 0.2
381 6 6 3 44.492 88.984 0.455 2.86 8 3.7 0.0
382 8 6 0 44.498 88.996 0.455 2.85 4 57.1 4.4
383 7 9 1 44.514 89.028 0.455 2.85 8 21.8 1.3
384 8 5 1 44.572 89.143 0.456 2.85 8 85.4 19.6
385 1 13 3 44.594 89.188 0.456 2.85 8 1.4 0.0
386 6 12 0 44.742 89.484 0.457 2.84 4 54.2 3.9
387 7 7 2 44.837 89.673 0.458 2.84 8 7.9 0.2
388 5 9 3 44.849 89.698 0.458 2.84 8 2.0 0.0
389 5 0 4 44.959 89.917 0.459 2.83 4 39.3 2.1
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 2 0 4.828 9.657 9.1515 327.7 17.6 17.6 5.6
2 1 1 0 5.274 10.549 8.3793 1860.1 100.0 100.0 5.6
3 0 1 1 8.635 17.269 5.1307 71.2 3.8 3.8 5.6
4 2 0 0 9.407 18.815 4.7125 111.9 6.0 6.0 5.6
5 1 0 1 9.536 19.073 4.64939 85.0 4.6 4.5 5.6
6 0 4 0 9.691 19.383 4.57575 125.6 6.8 6.7 5.6
7 1 1 1 9.842 19.684 4.50627 134.7 7.2 7.2 5.6
8 2 2 0 10.594 21.189 4.18965 119.2 6.4 6.4 5.6
9 0 3 1 11.046 22.092 4.02036 24.0 1.3 1.3 5.6
10 1 3 1 12.023 24.045 3.69798 496.4 26.7 26.5 5.6
11 2 2 1 13.509 27.019 3.29739 195.6 10.5 10.4 5.6
12 2 4 0 13.57 27.141 3.28282 383.8 20.6 20.4 5.6
13 3 1 0 14.405 28.809 3.09638 820.5 44.1 43.6 5.6
14 2 3 1 14.587 29.173 3.05855 197.0 10.6 10.5 5.6
15 0 5 1 14.776 29.552 3.0202 84.2 4.5 4.5 5.6
16 1 5 1 15.534 31.069 2.87614 494.9 26.6 26.2 5.6
17 3 3 0 16.008 32.017 2.7931 122.6 6.6 6.5 5.6
18 0 0 2 16.752 33.503 2.6725 75.0 4.0 4.0 5.7
19 3 2 1 17.253 34.506 2.5971 111.0 6.0 5.9 5.7
20 1 0 2 17.433 34.866 2.57113 292.0 15.7 15.4 5.7
21 2 6 0 17.505 35.011 2.5608 25.5 1.4 1.3 5.7
22 1 6 1 17.578 35.156 2.55053 621.2 33.4 32.8 5.7
23 2 5 1 17.633 35.267 2.5428 965.5 51.9 51.0 5.7
24 3 5 0 18.85 37.701 2.38404 25.8 1.4 1.4 5.7
25 4 0 0 19.081 38.163 2.35625 34.3 1.8 1.8 5.7
26 2 0 2 19.351 38.701 2.32469 561.6 30.2 29.6 5.7
27 2 6 1 19.484 38.967 2.30943 87.0 4.7 4.6 5.7
28 2 1 2 19.512 39.025 2.30617 44.2 2.4 2.3 5.7
29 1 7 1 19.754 39.508 2.27904 124.7 6.7 6.6 5.7
30 2 2 2 19.991 39.982 2.25313 21.7 1.2 1.1 5.7
31 2 3 2 20.768 41.536 2.17234 20.7 1.1 1.1 5.7
32 2 7 1 21.496 42.991 2.10212 80.1 4.3 4.2 5.7
33 4 2 1 21.534 43.067 2.09859 44.0 2.4 2.3 5.7
34 1 8 1 22.039 44.078 2.0528 39.1 2.1 2.0 5.7
35 3 6 1 22.354 44.707 2.02535 558.7 30.0 29.2 5.7
36 3 7 0 22.537 45.073 2.00973 22.7 1.2 1.2 5.7
37 1 9 0 22.798 45.596 1.98792 24.6 1.3 1.3 5.7
38 2 5 2 23.111 46.222 1.96241 24.5 1.3 1.3 5.7
39 1 9 1 24.419 48.839 1.86322 61.1 3.3 3.2 5.7
40 3 4 2 24.466 48.932 1.85988 40.9 2.2 2.1 5.7
41 4 5 1 24.496 48.992 1.85776 214.1 11.5 11.1 5.7
42 4 0 2 25.838 51.676 1.76741 162.5 8.7 8.4 5.8
43 4 6 1 25.944 51.888 1.76067 107.3 5.8 5.6 5.8
44 3 8 1 26.15 52.3 1.74777 19.8 1.1 1.0 5.8
45 0 8 2 26.308 52.616 1.738 20.4 1.1 1.1 5.8
46 4 2 2 26.352 52.703 1.73534 23.3 1.3 1.2 5.8
47 1 2 3 26.614 53.227 1.71948 26.7 1.4 1.4 5.8
48 0 3 3 26.769 53.538 1.71023 114.4 6.1 5.9 5.8
49 4 4 2 27.853 55.706 1.6487 58.0 3.1 3.0 5.8
50 4 8 0 27.987 55.975 1.64141 24.3 1.3 1.3 5.8
51 1 11 0 28.04 56.081 1.63857 161.1 8.7 8.3 5.8
52 2 10 1 28.289 56.578 1.62534 25.5 1.4 1.3 5.8
53 0 5 3 28.739 57.479 1.60199 232.4 12.5 12.0 5.8
54 6 0 0 29.365 58.729 1.57083 65.1 3.5 3.3 5.8
55 5 6 1 30.1 60.2 1.53592 497.6 26.8 25.5 5.8
56 0 12 0 30.333 60.665 1.52525 128.5 6.9 6.6 5.8
57 1 6 3 30.484 60.969 1.51839 241.0 13.0 12.3 5.8
58 3 10 1 30.526 61.053 1.5165 51.4 2.8 2.6 5.8
59 0 7 3 31.545 63.09 1.47235 46.0 2.5 2.3 5.9
60 3 11 0 31.591 63.182 1.47041 57.7 3.1 2.9 5.9
61 5 4 2 31.846 63.691 1.45988 29.7 1.6 1.5 5.9
62 1 11 2 33.464 66.929 1.39691 91.5 4.9 4.6 5.9
63 6 5 1 33.554 67.108 1.39361 87.6 4.7 4.4 5.9
64 3 6 3 33.882 67.764 1.3817 126.1 6.8 6.4 5.9
65 6 0 2 34.666 69.333 1.35423 74.2 4.0 3.8 5.9
66 6 6 1 34.755 69.511 1.35119 165.2 8.9 8.3 5.9
67 7 1 0 35.004 70.008 1.3428 34.7 1.9 1.8 5.9
68 4 5 3 35.551 71.103 1.3248 51.7 2.8 2.6 5.9
69 1 0 4 35.606 71.213 1.32302 64.5 3.5 3.2 5.9
70 6 3 2 35.637 71.273 1.32205 21.8 1.2 1.1 5.9
71 1 1 4 35.714 71.427 1.31958 25.2 1.4 1.3 5.9
72 1 12 2 35.958 71.916 1.3118 123.0 6.6 6.2 5.9
73 3 11 2 36.72 73.441 1.28829 59.2 3.2 3.0 6.0
74 2 0 4 36.811 73.622 1.28557 85.6 4.6 4.3 6.0
75 0 4 4 36.908 73.815 1.28268 39.0 2.1 2.0 6.0
76 4 12 0 36.984 73.968 1.2804 32.3 1.7 1.6 6.0
77 2 12 2 37.158 74.316 1.27527 101.5 5.5 5.1 6.0
78 4 11 2 39.48 78.96 1.2115 25.8 1.4 1.3 6.0
79 8 0 0 40.83 81.66 1.17813 20.7 1.1 1.0 6.1
80 4 0 4 41.506 83.011 1.16235 34.8 1.9 1.7 6.1
81 4 12 2 41.842 83.683 1.15472 47.1 2.5 2.3 6.1
82 5 11 2 42.957 85.913 1.13037 92.5 5.0 4.5 6.1
83 8 5 1 44.572 89.143 1.09758 19.6 1.1 0.9 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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