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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HEMATOLITE
1
(Mn,Mg,Al)(15)(OH)(23)[AsO(3)][AsO(4)](2)
Hexagonal R 3 Z = 3
R =0.11 NR =1471
5 .2 .1990
Ref.Str.:
P.B. Moore, T. Araki (1978)
* Amer. Mineral., 63, 150-159
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.275 alpha = 90.0
b = 8.275 beta = 90.0
c = 36.6 gamma = 120.0
Unit cell volume (cub. angs.) = 2170.44
Molar volume ( cub.cm/mol.) = 435.78
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 1.64 Mn = 1.00
2 0.6667 0.3333 0.2155 1.78 Mn = 1.00
3 0.3124 0.4243 0.0739 1.65 Mn = 1.00
4 0.4111 0.1116 0.1419 1.64 Mn = 1.00
5 0.0935 0.475 0.2747 1.87 Al = 0.44, Mg = 0.4 , Mn = 0.16
6 0.2503 0.1951 0.2765 1.49 Mn = 0.56, Mg = 0.44
7 0.0 0.0 0.0809 1.46 Al = 0.58, Fe = 0.19, Mn = 0.23
8 0.0 0.0 0.1949 1.36 As = 1.00
9 0.0 0.0 0.2422 1.24 O = 1.00
10 0.059 0.2181 0.1792 1.85 O = 1.00
11 0.3333 0.6667 0.1395 1.38 As = 1.00
12 0.139 0.4986 0.1134 1.43 O = 1.00
13 0.6667 0.3333 0.0608 1.59 As = 1.00
14 0.6667 0.3333 0.1076 0.71 O = 1.00
15 0.6003 0.1182 0.0449 3.06 O = 1.00
16 0.3333 0.6667 0.0454 1.21 O = 1.00
17 0.3333 0.6667 0.3007 2.41 O = 1.00
18 0.0596 0.2107 0.0468 1.77 O = 1.00
19 0.2252 0.1778 0.1095 1.58 O = 1.00
20 0.6316 0.118 0.1733 1.84 O = 1.00
21 0.2855 0.4356 0.2474 2.27 O = 1.00
22 0.4171 0.1243 0.2434 1.97 O = 1.00
23 0.0538 0.2465 0.3037 1.8 O = 1.00
24 0.5956 0.0682 0.3088 2.2 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.6667 0.3333 0.2155
3 3 0.3124 0.4243 0.0739
4 4 0.4111 0.1116 0.1419
5 5 0.0935 0.475 0.2747
6 6 0.2503 0.1951 0.2765
7 7 0.0 0.0 0.0809
8 8 0.0 0.0 0.1949
9 9 0.0 0.0 0.2422
10 10 0.059 0.2181 0.1792
11 11 0.3333 0.6667 0.1395
12 12 0.139 0.4986 0.1134
13 13 0.6667 0.3333 0.0608
14 14 0.6667 0.3333 0.1076
15 15 0.6003 0.1182 0.0449
16 16 0.3333 0.6667 0.0454
17 17 0.3333 0.6667 0.3007
18 18 0.0596 0.2107 0.0468
19 19 0.2252 0.1778 0.1095
20 20 0.6316 0.118 0.1733
21 21 0.2855 0.4356 0.2474
22 22 0.4171 0.1243 0.2434
23 23 0.0538 0.2465 0.3037
24 24 0.5956 0.0682 0.3088
25 3 0.5757 0.8881 0.0739
26 3 0.1119 0.6876 0.0739
27 4 0.8884 0.2995 0.1419
28 4 0.7005 0.5889 0.1419
29 5 0.525 0.6185 0.2747
30 5 0.3815 0.9065 0.2747
31 6 0.8049 0.0552 0.2765
32 6 0.9448 0.7497 0.2765
33 10 0.7819 0.8409 0.1792
34 10 0.1591 0.941 0.1792
35 12 0.5014 0.6404 0.1134
36 12 0.3596 0.861 0.1134
37 15 0.8818 0.4821 0.0449
38 15 0.5179 0.3997 0.0449
39 18 0.7893 0.8489 0.0468
40 18 0.1511 0.9404 0.0468
41 19 0.8222 0.0474 0.1095
42 19 0.9526 0.7748 0.1095
43 20 0.882 0.5136 0.1733
44 20 0.4864 0.3684 0.1733
45 21 0.5644 0.8499 0.2474
46 21 0.1501 0.7145 0.2474
47 22 0.8757 0.2928 0.2434
48 22 0.7072 0.5829 0.2434
49 23 0.7535 0.8073 0.3037
50 23 0.1927 0.9462 0.3037
51 24 0.9318 0.5274 0.3088
52 24 0.4726 0.4044 0.3088
53 1 0.6667 0.3333 0.3333
54 1 0.3333 0.6667 0.6667
55 2 0.3333 0.6667 0.5488
56 2 0.0 0.0 0.8822
57 3 0.2424 0.2214 0.4072
58 3 0.4452 0.3543 0.7406
59 4 0.5551 0.6328 0.4752
60 4 0.0338 0.2556 0.8086
61 5 0.1917 0.9518 0.608
62 5 0.7148 0.5732 0.9414
63 6 0.4716 0.3885 0.6098
64 6 0.2781 0.4164 0.9432
65 7 0.6667 0.3333 0.4142
66 7 0.3333 0.6667 0.7476
67 8 0.6667 0.3333 0.5282
68 8 0.3333 0.6667 0.8616
69 9 0.6667 0.3333 0.5755
70 9 0.3333 0.6667 0.9089
71 10 0.4486 0.1742 0.5125
72 10 0.4924 0.6077 0.8459
73 11 0.0 0.0 0.4728
74 11 0.6667 0.3333 0.8062
75 12 0.1681 0.9737 0.4467
76 12 0.6929 0.5277 0.7801
77 13 0.3333 0.6667 0.3941
78 13 0.0 0.0 0.7275
79 14 0.3333 0.6667 0.4409
80 14 0.0 0.0 0.7743
81 15 0.5485 0.8154 0.3782
82 15 0.8512 0.0664 0.7116
83 16 0.0 0.0 0.3787
84 16 0.6667 0.3333 0.7121
85 17 0.0 0.0 0.634
86 17 0.6667 0.3333 0.9674
87 18 0.456 0.1822 0.3801
88 18 0.4844 0.6071 0.7135
89 19 0.4889 0.3807 0.4428
90 19 0.2859 0.4415 0.7762
91 20 0.5487 0.8469 0.5066
92 20 0.8197 0.0351 0.84
93 21 0.2311 0.1832 0.5807
94 21 0.4834 0.3812 0.9141
95 22 0.5424 0.6261 0.5767
96 22 0.0405 0.2496 0.9101
97 23 0.4202 0.1406 0.637
98 23 0.526 0.6129 0.9704
99 24 0.5985 0.8607 0.6421
100 24 0.8059 0.0711 0.9755
101 3 0.7786 0.0209 0.4072
102 3 0.6457 0.091 0.7406
103 3 0.9791 0.7576 0.4072
104 3 0.909 0.5548 0.7406
105 4 0.3672 0.9222 0.4752
106 4 0.7444 0.7783 0.8086
107 4 0.0778 0.4449 0.4752
108 4 0.2217 0.9661 0.8086
109 5 0.0482 0.2398 0.608
110 5 0.4268 0.1417 0.9414
111 5 0.7602 0.8083 0.608
112 5 0.8583 0.2851 0.9414
113 6 0.6115 0.083 0.6098
114 6 0.5836 0.8618 0.9432
115 6 0.917 0.5284 0.6098
116 6 0.1382 0.7219 0.9432
117 10 0.8258 0.2743 0.5125
118 10 0.3923 0.8848 0.8459
119 10 0.7257 0.5514 0.5125
120 10 0.1152 0.5075 0.8459
121 12 0.0263 0.1943 0.4467
122 12 0.4723 0.1653 0.7801
123 12 0.8057 0.8319 0.4467
124 12 0.8347 0.307 0.7801
125 15 0.1846 0.733 0.3782
126 15 0.9336 0.7849 0.7116
127 15 0.267 0.4515 0.3782
128 15 0.2151 0.1488 0.7116
129 18 0.8178 0.2737 0.3801
130 18 0.3929 0.8774 0.7135
131 18 0.7263 0.544 0.3801
132 18 0.1226 0.5155 0.7135
133 19 0.6193 0.1081 0.4428
134 19 0.5585 0.8445 0.7762
135 19 0.8919 0.5111 0.4428
136 19 0.1555 0.7141 0.7762
137 20 0.1531 0.7017 0.5066
138 20 0.9649 0.7847 0.84
139 20 0.2983 0.4513 0.5066
140 20 0.2153 0.1802 0.84
141 21 0.8168 0.0478 0.5807
142 21 0.6188 0.1023 0.9141
143 21 0.9522 0.7689 0.5807
144 21 0.8977 0.5166 0.9141
145 22 0.3739 0.9162 0.5767
146 22 0.7504 0.791 0.9101
147 22 0.0838 0.4576 0.5767
148 22 0.209 0.9594 0.9101
149 23 0.8594 0.2795 0.637
150 23 0.3871 0.9132 0.9704
151 23 0.7205 0.5798 0.637
152 23 0.0868 0.4739 0.9704
153 24 0.1393 0.7377 0.6421
154 24 0.9289 0.7349 0.9755
155 24 0.2623 0.4015 0.6421
156 24 0.2651 0.194 0.9755
X-ray density (g/cm cub.) = 3.36
MU (1/cm) = 106.674 Mass attenuation coefficient (cm**2/g) = 31.786
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn 2.724 6
2.3146 18
2.3146 18
2.3146 18
2.1624 24
2.1624 24
2.1623 24
2 Mn 2.724 6
2.2644 20
2.1743 22
2.2644 20
2.2644 20
2.1743 22
2.1743 22
3 Mn 2.724 6
2.3258 12
2.1893 16
2.1878 18
2.2152 19
2.2219 12
2.0991 15
4 Mn 2.724 6
2.3526 14
2.2171 19
2.1345 20
2.2937 10
2.1648 12
2.2137 20
5 Al ,Mg ,Mn 2.724 6
2.0523 17
2.0364 21
2.0466 23
2.0536 21
2.0289 22
2.0288 24
6 Mn ,Mg 2.724 6
2.2646 9
2.1448 21
2.1271 22
2.1231 23
2.1163 23
2.1437 24
7 Al ,Fe ,Mn 2.724 6
1.9952 18
1.9978 19
1.9952 18
1.9953 18
1.9978 19
1.9979 19
8 As 2.46 4
1.7312 9
1.716 10
1.716 10
1.7161 10
9 O 3.264 12
2.8162 10
3.1772 21
3.0696 22
2.9185 23
2.8162 10
2.8163 10
3.1772 21
3.1773 21
3.0696 22
3.0696 22
2.9185 23
2.9185 23
10 O 3.264 10
2.8162 9
3.1763 12
2.9948 19
3.2112 20
3.0999 21
2.8007 10
2.8007 10
3.0943 19
3.1151 20
3.0235 22
11 As 2.46 3
1.7878 12
1.7879 12
1.7877 12
12 O 3.264 8
3.1763 10
2.9117 16
3.2379 18
3.0773 19
2.6175 12
2.6175 12
3.247 15
3.0997 20
13 As 2.46 4
1.7129 14
1.6828 15
1.6828 15
1.6828 15
14 O 3.264 9
2.7855 15
3.2102 19
2.9196 20
2.7855 15
2.7855 15
3.2102 19
3.2102 19
2.9196 20
2.9196 20
15 O 3.264 10
2.7855 14
3.2538 16
3.247 12
2.7348 15
2.7348 15
3.243 18
3.222 19
3.2476 17
3.1891 24
3.2312 23
16 O 3.264 6
2.9117 12
3.2538 15
2.9117 12
2.9116 12
3.2538 15
3.2539 15
17 O 3.264 12
2.6195 21
3.0674 23
2.9372 24
2.6194 21
2.6193 21
3.0674 23
3.0673 23
2.9371 24
2.9373 24
3.2473 15
3.2473 15
3.2473 15
18 O 3.264 8
3.2379 12
2.7552 19
3.243 15
2.6963 18
2.6963 18
2.8804 19
3.1833 24
3.1564 24
19 O 3.264 10
2.9948 10
3.0773 12
3.2102 14
2.7552 18
3.0943 10
3.222 15
2.8804 18
2.9473 19
2.9473 19
3.0337 20
20 O 3.264 9
3.2112 10
2.9196 14
3.135 22
3.1151 10
3.0997 12
3.0337 19
2.8682 20
2.8682 20
3.1358 22
21 O 3.264 10
3.1772 9
3.0999 10
2.6195 17
3.2632 22
2.7149 23
3.0277 21
3.0277 21
2.985 22
3.071 22
2.8132 24
22 O 3.264 10
3.0696 9
3.135 20
3.2632 21
2.9686 24
3.0235 10
3.1358 20
3.071 21
2.985 21
2.7846 23
3.2013 24
23 O 3.264 9
2.9185 9
3.0674 17
2.7149 21
2.7846 22
3.2176 23
3.2176 23
2.967 24
3.0372 24
3.2308 15
24 O 3.264 9
2.9372 17
2.9686 22
2.8132 21
3.2013 22
3.0372 23
2.967 23
3.1888 15
3.183 18
3.1562 18
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 0 3 4.204 8.409 0.041 369.09 2 167.6 440.2
2 1 0 1 7.307 14.614 0.071 120.69 6 51.0 40.0
3 1 0 -2 7.703 15.407 0.075 108.36 6 80.0 88.4
4 0 0 6 8.432 16.864 0.082 90.08 2 330.2 417.0
5 1 0 4 9.122 18.244 0.089 76.64 6 124.3 150.7
6 1 0 -5 10.059 20.119 0.098 62.64 6 195.4 304.5
7 1 0 7 12.226 24.451 0.118 41.72 6 180.6 173.4
8 1 1 0 12.485 24.97 0.121 39.93 6 307.6 481.0
9 0 0 9 12.706 25.412 0.123 38.48 2 390.3 248.8
10 1 1 -3 13.196 26.391 0.128 35.53 6 238.8 258.0
11 1 1 3 13.196 26.391 0.128 35.53 6 45.3 9.3
12 1 0 -8 13.412 26.824 0.13 34.32 6 117.0 59.9
13 2 0 -1 14.526 29.052 0.14 28.97 6 36.6 4.9
14 2 0 2 14.736 29.472 0.142 28.09 6 106.6 40.7
15 1 1 -6 15.143 30.285 0.146 26.5 6 70.5 16.8
16 1 1 6 15.143 30.285 0.146 26.5 6 384.2 498.3
17 2 0 -4 15.55 31.101 0.15 25.03 6 262.0 218.9
18 1 0 10 15.927 31.854 0.153 23.77 6 305.1 281.9
19 2 0 5 16.137 32.273 0.155 23.11 6 144.0 61.0
20 0 0 12 17.054 34.107 0.164 20.5 2 215.7 40.5
21 1 0 -11 17.241 34.482 0.166 20.02 6 266.3 180.9
22 2 0 -7 17.615 35.23 0.169 19.1 6 428.2 446.1
23 1 1 -9 17.963 35.926 0.172 18.3 6 325.4 246.8
24 1 1 9 17.963 35.926 0.172 18.3 6 93.6 20.4
25 2 0 8 18.486 36.973 0.177 17.18 6 360.4 284.3
26 1 2 -1 19.337 38.675 0.185 15.56 6 116.3 26.8
27 2 1 1 19.337 38.675 0.185 15.56 6 303.0 181.9
28 1 2 2 19.501 39.002 0.187 15.27 6 34.7 2.3
29 2 1 -2 19.501 39.002 0.187 15.27 6 176.1 60.3
30 1 0 13 19.959 39.917 0.191 14.5 6 159.1 46.7
31 1 2 -4 20.145 40.289 0.193 14.21 6 325.1 191.2
32 2 1 4 20.145 40.289 0.193 14.21 6 242.2 106.2
33 2 0 -10 20.447 40.894 0.195 13.74 6 172.1 51.8
34 1 2 5 20.616 41.233 0.197 13.49 6 85.3 12.5
35 2 1 -5 20.616 41.233 0.197 13.49 6 185.4 59.1
36 1 0 -14 21.358 42.717 0.204 12.47 6 56.7 5.1
37 1 1 -12 21.367 42.733 0.204 12.45 6 124.9 24.7
38 1 1 12 21.367 42.733 0.204 12.45 6 166.9 44.2
39 0 0 15 21.505 43.01 0.205 12.27 2 337.4 59.3
40 2 0 11 21.522 43.043 0.205 12.25 6 255.4 101.8
41 1 2 -7 21.833 43.667 0.208 11.86 6 373.5 210.8
42 2 1 7 21.833 43.667 0.208 11.86 6 500.3 378.2
43 3 0 0 21.99 43.98 0.209 11.67 6 315.6 148.1
44 3 0 -3 22.43 44.86 0.213 11.16 6 160.4 36.6
45 3 0 3 22.43 44.86 0.213 11.16 6 81.6 9.5
46 1 2 8 22.567 45.134 0.215 11.01 6 376.0 198.3
47 2 1 -8 22.567 45.134 0.215 11.01 6 190.0 50.6
48 3 0 -6 23.711 47.423 0.225 9.85 6 30.8 1.2
49 3 0 6 23.711 47.423 0.225 9.85 6 166.4 34.7
50 2 0 -13 23.831 47.662 0.226 9.73 6 68.9 5.9
51 1 0 16 24.234 48.467 0.229 9.37 6 25.0 0.7
52 1 2 -10 24.256 48.513 0.23 9.35 6 167.1 33.3
53 2 1 10 24.256 48.513 0.23 9.35 6 262.8 82.2
54 2 0 14 25.058 50.115 0.237 8.68 6 64.5 4.6
55 1 1 -15 25.187 50.375 0.238 8.58 6 138.2 20.9
56 1 1 15 25.187 50.375 0.238 8.58 6 157.1 27.0
57 1 2 11 25.202 50.404 0.238 8.57 6 354.9 137.5
58 2 1 -11 25.202 50.404 0.238 8.57 6 79.9 7.0
59 2 2 0 25.618 51.236 0.242 8.26 6 219.6 50.7
60 1 0 -17 25.709 51.418 0.242 8.19 6 143.6 21.5
61 3 0 -9 25.738 51.477 0.243 8.17 6 128.1 17.1
62 3 0 9 25.738 51.477 0.243 8.17 6 61.9 4.0
63 2 2 -3 26.011 52.021 0.245 7.98 6 45.3 2.1
64 2 2 3 26.011 52.021 0.245 7.98 6 25.2 0.6
65 0 0 18 26.097 52.195 0.246 7.92 2 85.6 2.5
66 1 3 1 26.788 53.575 0.252 7.46 6 54.8 2.8
67 3 1 -1 26.788 53.575 0.252 7.46 6 69.3 4.6
68 1 3 -2 26.915 53.83 0.253 7.38 6 127.1 15.2
69 3 1 2 26.915 53.83 0.253 7.38 6 58.7 3.2
70 2 2 -6 27.165 54.33 0.255 7.23 6 62.7 3.6
71 2 2 6 27.165 54.33 0.255 7.23 6 186.7 32.1
72 1 2 -13 27.274 54.547 0.256 7.16 6 97.3 8.6
73 2 1 13 27.274 54.547 0.256 7.16 6 338.1 104.2
74 1 3 4 27.42 54.841 0.257 7.07 6 82.4 6.1
75 3 1 -4 27.42 54.841 0.257 7.07 6 186.0 31.2
76 2 0 -16 27.64 55.279 0.259 6.95 6 49.9 2.2
77 1 3 -5 27.795 55.591 0.261 6.86 6 143.0 17.9
78 3 1 5 27.795 55.591 0.261 6.86 6 74.7 4.9
79 1 2 14 28.393 56.785 0.266 6.54 6 124.2 12.8
80 2 1 -14 28.393 56.785 0.266 6.54 6 477.0 189.4
81 3 0 -12 28.399 56.799 0.266 6.53 6 141.7 16.7
82 3 0 12 28.399 56.799 0.266 6.53 6 190.6 30.2
83 1 0 19 28.739 57.478 0.269 6.36 6 177.3 25.5
84 1 3 7 28.78 57.559 0.269 6.34 6 53.3 2.3
85 3 1 -7 28.78 57.559 0.269 6.34 6 235.4 44.7
86 2 0 17 28.992 57.984 0.271 6.23 6 214.3 36.5
87 2 2 -9 29.019 58.038 0.271 6.22 6 152.5 18.4
88 2 2 9 29.019 58.038 0.271 6.22 6 50.4 2.0
89 1 1 -18 29.35 58.701 0.274 6.06 6 82.3 5.2
90 1 1 18 29.35 58.701 0.274 6.06 6 110.2 9.4
91 1 3 -8 29.384 58.768 0.274 6.05 6 29.5 0.7
92 3 1 8 29.384 58.768 0.274 6.05 6 203.3 31.8
93 4 0 1 29.99 59.981 0.279 5.78 6 60.1 2.7
94 4 0 -2 30.109 60.217 0.28 5.73 6 200.5 29.3
95 1 0 -20 30.296 60.591 0.282 5.65 6 45.5 1.5
96 4 0 4 30.58 61.159 0.284 5.53 6 32.4 0.7
97 1 2 -16 30.784 61.569 0.286 5.45 6 109.5 8.3
98 2 1 16 30.784 61.569 0.286 5.45 6 559.8 217.6
99 1 3 10 30.804 61.608 0.286 5.44 6 309.7 66.5
100 3 1 -10 30.804 61.608 0.286 5.44 6 71.2 3.5
101 0 0 21 30.878 61.756 0.287 5.41 2 174.8 7.0
102 4 0 -5 30.93 61.86 0.287 5.39 6 207.2 29.5
103 2 2 -12 31.496 62.992 0.292 5.18 6 60.2 2.4
104 2 2 12 31.496 62.992 0.292 5.18 6 155.7 16.0
105 3 0 -15 31.602 63.204 0.293 5.14 6 231.7 35.2
106 3 0 15 31.602 63.204 0.293 5.14 6 245.2 39.4
107 1 3 -11 31.615 63.229 0.293 5.14 6 194.4 24.7
108 3 1 11 31.615 63.229 0.293 5.14 6 207.0 28.1
109 2 0 -19 31.815 63.631 0.295 5.07 6 190.6 23.5
110 4 0 7 31.854 63.707 0.295 5.06 6 26.2 0.4
111 1 2 17 32.054 64.107 0.297 4.99 6 112.0 8.0
112 2 1 -17 32.054 64.107 0.297 4.99 6 398.3 100.8
113 4 0 -8 32.423 64.847 0.3 4.87 6 22.0 0.3
114 2 3 -1 32.997 65.995 0.304 4.69 6 155.3 14.4
115 3 2 1 32.997 65.995 0.304 4.69 6 148.2 13.1
116 2 3 2 33.11 66.219 0.305 4.65 6 97.4 5.6
117 3 2 -2 33.11 66.219 0.305 4.65 6 15.5 0.1
118 2 0 20 33.287 66.574 0.307 4.6 6 185.2 20.1
119 1 3 13 33.427 66.853 0.308 4.56 6 127.5 9.4
120 3 1 -13 33.427 66.853 0.308 4.56 6 99.6 5.8
121 1 0 22 33.501 67.002 0.309 4.54 6 108.9 6.8
122 2 3 -4 33.557 67.114 0.309 4.52 6 46.8 1.3
123 3 2 4 33.557 67.114 0.309 4.52 6 291.2 48.8
124 4 0 10 33.77 67.54 0.311 4.46 6 347.9 68.8
125 1 1 -21 33.841 67.682 0.311 4.44 6 132.0 9.9
126 1 1 21 33.841 67.682 0.311 4.44 6 231.4 30.3
127 2 3 5 33.89 67.781 0.312 4.43 6 73.6 3.1
128 3 2 -5 33.89 67.781 0.312 4.43 6 71.3 2.9
129 1 3 -14 34.424 68.848 0.316 4.29 6 41.8 1.0
130 3 1 14 34.424 68.848 0.316 4.29 6 51.3 1.4
131 2 2 -15 34.531 69.062 0.317 4.26 6 121.2 8.0
132 2 2 15 34.531 69.062 0.317 4.26 6 162.5 14.3
133 4 0 -11 34.543 69.087 0.317 4.26 6 157.5 13.4
134 1 2 -19 34.735 69.471 0.319 4.21 6 207.1 23.0
135 2 1 19 34.735 69.471 0.319 4.21 6 356.5 68.1
136 2 3 -7 34.772 69.544 0.319 4.2 6 114.8 7.1
137 3 2 7 34.772 69.544 0.319 4.2 6 345.7 63.9
138 1 4 0 34.888 69.775 0.32 4.17 6 889.5 420.4
139 4 1 0 34.888 69.775 0.32 4.17 6 242.9 31.3
140 1 0 -23 35.154 70.309 0.322 4.11 6 76.2 3.0
141 1 4 -3 35.215 70.43 0.322 4.09 6 61.2 2.0
142 1 4 3 35.215 70.43 0.322 4.09 6 65.0 2.2
143 4 1 -3 35.215 70.43 0.322 4.09 6 83.3 3.6
144 4 1 3 35.215 70.43 0.322 4.09 6 179.2 16.7
145 3 0 -18 35.288 70.575 0.323 4.08 6 105.6 5.8
146 3 0 18 35.288 70.575 0.323 4.08 6 86.5 3.9
147 2 3 8 35.318 70.636 0.323 4.07 6 102.3 5.4
148 3 2 -8 35.318 70.636 0.323 4.07 6 327.3 55.5
149 0 0 24 35.911 71.822 0.328 3.94 2 196.5 6.5
150 1 2 20 36.148 72.296 0.33 3.89 6 195.3 18.9
151 2 1 -20 36.148 72.296 0.33 3.89 6 375.6 69.9
152 1 4 -6 36.19 72.38 0.33 3.88 6 161.5 12.9
153 1 4 6 36.19 72.38 0.33 3.88 6 155.1 11.9
154 4 1 -6 36.19 72.38 0.33 3.88 6 177.0 15.5
155 4 1 6 36.19 72.38 0.33 3.88 6 54.2 1.5
156 4 0 13 36.283 72.565 0.331 3.86 6 145.7 10.4
157 2 0 -22 36.354 72.709 0.331 3.85 6 147.7 10.7
158 1 3 16 36.596 73.192 0.333 3.8 6 39.1 0.7
159 3 1 -16 36.596 73.192 0.333 3.8 6 33.7 0.5
160 2 3 -10 36.614 73.228 0.333 3.79 6 180.6 15.8
161 3 2 10 36.614 73.228 0.333 3.79 6 199.1 19.2
162 4 0 -14 37.246 74.492 0.338 3.67 6 71.1 2.4
163 2 3 11 37.362 74.723 0.339 3.65 6 176.2 14.4
164 3 2 -11 37.362 74.723 0.339 3.65 6 252.1 29.6
165 1 3 -17 37.769 75.537 0.342 3.58 6 73.0 2.4
166 3 1 17 37.769 75.537 0.342 3.58 6 125.8 7.2
167 1 4 -9 37.792 75.585 0.343 3.58 6 190.2 16.5
168 1 4 9 37.792 75.585 0.343 3.58 6 195.3 17.4
169 4 1 -9 37.792 75.585 0.343 3.58 6 55.3 1.4
170 4 1 9 37.792 75.585 0.343 3.58 6 152.7 10.6
171 2 0 23 37.954 75.908 0.344 3.55 6 141.0 9.0
172 2 2 -18 38.083 76.167 0.345 3.53 6 54.9 1.4
173 2 2 18 38.083 76.167 0.345 3.53 6 25.7 0.3
174 1 0 25 38.579 77.157 0.349 3.45 6 221.7 21.6
175 5 0 -1 38.649 77.298 0.349 3.44 6 56.0 1.4
176 1 1 -24 38.69 77.38 0.349 3.44 6 166.0 12.1
177 1 1 24 38.69 77.38 0.349 3.44 6 88.1 3.4
178 5 0 2 38.754 77.508 0.35 3.43 6 79.6 2.8
179 2 3 -13 39.052 78.103 0.352 3.38 6 42.9 0.8
180 3 2 13 39.052 78.103 0.352 3.38 6 60.1 1.6
181 1 2 -22 39.122 78.243 0.353 3.37 6 185.4 14.8
182 2 1 22 39.122 78.243 0.353 3.37 6 108.9 5.1
183 5 0 -4 39.174 78.348 0.353 3.36 6 91.8 3.6
184 4 0 16 39.357 78.715 0.354 3.34 6 28.4 0.3
185 3 0 -21 39.442 78.883 0.355 3.33 6 90.3 3.5
186 3 0 21 39.442 78.883 0.355 3.33 6 132.7 7.5
187 5 0 5 39.488 78.976 0.355 3.32 6 122.8 6.4
188 2 3 14 39.993 79.986 0.359 3.26 6 54.2 1.2
189 3 2 -14 39.993 79.986 0.359 3.26 6 107.8 4.8
190 1 4 -12 39.999 79.997 0.359 3.25 6 96.2 3.8
191 1 4 12 39.999 79.997 0.359 3.25 6 96.9 3.9
192 4 1 -12 39.999 79.997 0.359 3.25 6 128.5 6.8
193 4 1 12 39.999 79.997 0.359 3.25 6 97.3 3.9
194 1 3 19 40.288 80.576 0.361 3.22 6 126.7 6.6
195 3 1 -19 40.288 80.576 0.361 3.22 6 140.8 8.1
196 5 0 -7 40.323 80.645 0.362 3.22 6 91.8 3.5
197 1 0 -26 40.357 80.714 0.362 3.21 6 169.6 11.8
198 3 3 0 40.432 80.865 0.363 3.2 6 172.6 12.1
199 4 0 -17 40.505 81.009 0.363 3.19 6 79.8 2.6
200 1 2 23 40.686 81.373 0.364 3.17 6 163.5 10.8
201 2 1 -23 40.686 81.373 0.364 3.17 6 399.3 64.4
202 3 3 -3 40.744 81.488 0.365 3.17 6 37.9 0.6
203 3 3 3 40.744 81.488 0.365 3.17 6 109.3 4.8
204 5 0 8 40.842 81.684 0.366 3.16 6 81.7 2.7
205 0 0 27 41.288 82.576 0.369 3.11 2 99.9 1.3
206 2 0 -25 41.3 82.6 0.369 3.11 6 193.8 14.9
207 2 4 1 41.369 82.738 0.369 3.1 6 92.7 3.4
208 4 2 -1 41.369 82.738 0.369 3.1 6 192.0 14.6
209 2 4 -2 41.472 82.945 0.37 3.09 6 104.6 4.3
210 4 2 2 41.472 82.945 0.37 3.09 6 98.7 3.8
211 1 3 -20 41.636 83.272 0.371 3.07 6 55.1 1.2
212 3 1 20 41.636 83.272 0.371 3.07 6 92.9 3.4
213 3 3 -6 41.676 83.353 0.372 3.07 6 251.6 24.7
214 3 3 6 41.676 83.353 0.372 3.07 6 44.3 0.8
215 2 4 4 41.886 83.772 0.373 3.05 6 95.2 3.5
216 4 2 -4 41.886 83.772 0.373 3.05 6 181.0 12.7
217 2 3 -16 42.066 84.133 0.375 3.03 6 45.4 0.8
218 3 2 16 42.066 84.133 0.375 3.03 6 91.7 3.2
219 5 0 -10 42.084 84.167 0.375 3.03 6 189.7 13.9
220 2 2 -21 42.149 84.299 0.375 3.02 6 98.0 3.7
221 2 2 21 42.149 84.299 0.375 3.02 6 129.5 6.5
222 2 4 -5 42.195 84.391 0.375 3.02 6 43.8 0.7
223 4 2 5 42.195 84.391 0.375 3.02 6 126.6 6.2
224 1 4 -15 42.794 85.587 0.38 2.97 6 252.8 24.2
225 1 4 15 42.794 85.587 0.38 2.97 6 250.8 23.8
226 4 1 -15 42.794 85.587 0.38 2.97 6 156.9 9.3
227 4 1 15 42.794 85.587 0.38 2.97 6 172.6 11.3
228 5 0 11 42.805 85.61 0.38 2.97 6 156.1 9.2
229 4 0 19 42.985 85.97 0.381 2.96 6 138.8 7.3
230 2 4 7 43.02 86.039 0.381 2.95 6 161.0 9.8
231 4 2 -7 43.02 86.039 0.381 2.95 6 228.5 19.6
232 2 0 26 43.054 86.108 0.382 2.95 6 210.3 16.6
233 2 3 17 43.2 86.399 0.383 2.94 6 123.4 5.7
234 3 2 -17 43.2 86.399 0.383 2.94 6 136.6 7.0
235 3 3 -9 43.222 86.445 0.383 2.94 6 67.3 1.7
236 3 3 9 43.222 86.445 0.383 2.94 6 166.4 10.4
237 2 4 -8 43.534 87.068 0.385 2.92 6 114.8 4.9
238 4 2 8 43.534 87.068 0.385 2.92 6 79.8 2.4
239 1 1 -27 43.976 87.952 0.388 2.89 6 14.2 0.1
240 1 1 27 43.976 87.952 0.388 2.89 6 60.8 1.4
241 1 2 -25 43.988 87.975 0.388 2.89 6 156.9 9.0
242 2 1 25 43.988 87.975 0.388 2.89 6 152.9 8.6
243 1 5 -1 44.056 88.112 0.389 2.88 6 23.6 0.2
244 5 1 1 44.056 88.112 0.389 2.88 6 89.2 2.9
245 1 0 28 44.073 88.146 0.389 2.88 6 129.2 6.1
246 3 0 -24 44.096 88.192 0.389 2.88 6 49.5 0.9
247 3 0 24 44.096 88.192 0.389 2.88 6 83.7 2.6
248 1 5 2 44.159 88.318 0.389 2.87 6 21.8 0.2
249 5 1 -2 44.159 88.318 0.389 2.87 6 94.6 3.3
250 4 0 -20 44.321 88.643 0.391 2.86 6 64.3 1.5
251 5 0 -13 44.45 88.9 0.391 2.86 6 116.1 4.9
252 1 3 22 44.518 89.036 0.392 2.85 6 92.8 3.1
253 3 1 -22 44.518 89.036 0.392 2.85 6 65.3 1.5
254 1 5 -4 44.57 89.139 0.392 2.85 6 137.4 6.9
255 5 1 4 44.57 89.139 0.392 2.85 6 87.8 2.8
256 2 4 10 44.766 89.533 0.394 2.84 6 81.2 2.4
257 4 2 -10 44.766 89.533 0.394 2.84 6 134.0 6.5
258 1 5 5 44.878 89.755 0.394 2.83 6 55.1 1.1
259 5 1 -5 44.878 89.755 0.394 2.83 6 77.1 2.1
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 0 3 4.204 8.409 12.2 440.2 74.7 76.8 5.6
2 1 0 1 7.307 14.614 7.03281 40.0 6.8 7.0 5.6
3 1 0 2 7.703 15.407 6.67294 88.4 15.0 15.4 5.6
4 0 0 6 8.432 16.864 6.1 417.0 70.8 72.4 5.6
5 1 0 4 9.122 18.244 5.6419 150.7 25.6 26.1 5.6
6 1 0 5 10.059 20.119 5.12084 304.5 51.7 52.8 5.6
7 1 0 7 12.226 24.451 4.22385 173.4 29.4 30.0 5.6
8 1 1 0 12.485 24.97 4.1375 481.0 81.7 83.1 5.6
9 0 0 9 12.706 25.412 4.06667 248.8 42.2 42.9 5.6
10 1 1 3 13.196 26.391 3.9183 267.3 45.4 46.1 5.6
11 1 0 8 13.412 26.824 3.85619 59.9 10.2 10.3 5.6
12 2 0 2 14.736 29.472 3.51641 40.7 6.9 7.0 5.6
13 1 1 6 15.143 30.285 3.42415 515.0 87.4 88.6 5.6
14 2 0 4 15.55 31.101 3.33647 218.9 37.2 37.6 5.6
15 1 0 10 15.927 31.854 3.25951 281.9 47.9 48.4 5.6
16 2 0 5 16.137 32.273 3.21829 61.0 10.4 10.5 5.6
17 0 0 12 17.054 34.107 3.05 40.5 6.9 6.9 5.7
18 1 0 11 17.241 34.482 3.01786 180.9 30.7 31.0 5.7
19 2 0 7 17.615 35.23 2.95571 446.1 75.7 76.4 5.7
20 1 1 9 17.963 35.926 2.90029 267.2 45.4 45.7 5.7
21 2 0 8 18.486 36.973 2.82095 284.3 48.3 48.6 5.7
22 2 1 1 19.337 38.675 2.70124 208.7 35.4 35.6 5.7
23 2 1 2 19.501 39.002 2.67944 62.6 10.6 10.7 5.7
24 1 0 13 19.959 39.917 2.62042 46.7 7.9 8.0 5.7
25 1 2 4 20.145 40.289 2.59722 297.4 50.5 50.7 5.7
26 2 0 10 20.447 40.894 2.56042 51.8 8.8 8.8 5.7
27 2 1 5 20.616 41.233 2.54029 71.6 12.2 12.2 5.7
28 1 1 12 21.367 42.733 2.45505 74.0 12.6 12.6 5.7
29 2 0 11 21.522 43.043 2.43819 161.1 27.4 27.4 5.7
30 2 1 7 21.833 43.667 2.40506 589.0 100.0 100.0 5.7
31 3 0 0 21.99 43.98 2.38879 148.1 25.1 25.1 5.7
32 3 0 3 22.43 44.86 2.34427 46.0 7.8 7.8 5.7
33 1 2 8 22.567 45.134 2.33077 248.9 42.3 42.2 5.7
34 3 0 6 23.711 47.423 2.22431 35.9 6.1 6.1 5.7
35 2 1 10 24.256 48.513 2.17724 115.5 19.6 19.5 5.7
36 1 2 11 25.202 50.404 2.10059 192.3 32.7 32.4 5.8
37 2 2 0 25.618 51.236 2.06875 50.7 8.6 8.5 5.8
38 1 0 17 25.709 51.418 2.0619 21.5 3.7 3.6 5.8
39 3 0 9 25.738 51.477 2.05972 21.1 3.6 3.5 5.8
40 3 1 1 26.788 53.575 1.98467 7.4 1.3 1.2 5.8
41 1 3 2 26.915 53.83 1.97597 18.4 3.1 3.1 5.8
42 2 2 6 27.165 54.33 1.95915 35.7 6.1 6.0 5.8
43 2 1 13 27.274 54.547 1.95194 112.9 19.2 18.9 5.8
44 3 1 4 27.42 54.841 1.94229 37.3 6.3 6.2 5.8
45 1 3 5 27.795 55.591 1.91814 22.7 3.9 3.8 5.8
46 3 0 12 28.399 56.799 1.88063 249.2 42.3 41.6 5.8
47 1 0 19 28.739 57.478 1.86028 25.5 4.3 4.3 5.8
48 3 1 7 28.78 57.559 1.85788 47.0 8.0 7.9 5.8
49 2 0 17 28.992 57.984 1.84544 56.9 9.7 9.5 5.8
50 1 1 18 29.35 58.701 1.82487 14.6 2.5 2.4 5.8
51 3 1 8 29.384 58.768 1.82298 31.8 5.4 5.3 5.8
52 4 0 2 30.109 60.217 1.78307 29.3 5.0 4.9 5.8
53 1 3 10 30.804 61.608 1.74665 295.9 50.2 49.1 5.8
54 0 0 21 30.878 61.756 1.74286 7.0 1.2 1.2 5.8
55 4 0 5 30.93 61.86 1.74022 29.5 5.0 4.9 5.8
56 2 2 12 31.496 62.992 1.71207 18.4 3.1 3.0 5.9
57 3 0 15 31.602 63.204 1.70695 127.4 21.6 21.1 5.9
58 2 0 19 31.815 63.631 1.69668 23.5 4.0 3.9 5.9
59 2 1 17 32.054 64.107 1.68539 108.8 18.5 18.0 5.9
60 2 3 1 32.997 65.995 1.64242 27.5 4.7 4.5 5.9
61 2 0 20 33.287 66.574 1.62975 20.1 3.4 3.3 5.9
62 1 3 13 33.427 66.853 1.62373 15.2 2.6 2.5 5.9
63 1 0 22 33.501 67.002 1.62054 6.8 1.2 1.1 5.9
64 3 2 4 33.557 67.114 1.61816 50.1 8.5 8.2 5.9
65 4 0 10 33.77 67.54 1.60914 68.8 11.7 11.3 5.9
66 1 1 21 33.841 67.682 1.60617 40.2 6.8 6.6 5.9
67 2 3 5 33.89 67.781 1.60411 5.9 1.0 1.0 5.9
68 4 0 11 34.543 69.087 1.57745 35.7 6.1 5.9 5.9
69 2 1 19 34.735 69.471 1.56981 91.1 15.5 14.9 5.9
70 3 2 7 34.772 69.544 1.56837 71.0 12.1 11.6 5.9
71 1 4 0 34.888 69.775 1.56383 451.7 76.7 74.0 5.9
72 4 1 3 35.215 70.43 1.55114 24.5 4.2 4.0 5.9
73 3 0 18 35.288 70.575 1.54836 9.7 1.6 1.6 5.9
74 3 2 8 35.318 70.636 1.54721 61.0 10.4 10.0 5.9
75 0 0 24 35.911 71.822 1.525 6.5 1.1 1.1 5.9
76 2 1 20 36.148 72.296 1.51636 88.8 15.1 14.5 5.9
77 4 1 6 36.19 72.38 1.51484 41.7 7.1 6.8 5.9
78 4 0 13 36.283 72.565 1.5115 10.4 1.8 1.7 6.0
79 2 0 22 36.354 72.709 1.50893 10.7 1.8 1.7 6.0
80 3 2 10 36.614 73.228 1.49972 34.9 5.9 5.7 6.0
81 3 2 11 37.362 74.723 1.47396 44.0 7.5 7.1 6.0
82 4 1 9 37.792 75.585 1.45962 55.5 9.4 9.0 6.0
83 2 0 23 37.954 75.908 1.45434 9.0 1.5 1.5 6.0
84 1 0 25 38.579 77.157 1.43438 21.6 3.7 3.5 6.0
85 1 1 24 38.69 77.38 1.4309 15.4 2.6 2.5 6.0
86 1 2 22 39.122 78.243 1.4176 19.9 3.4 3.2 6.0
87 3 0 21 39.442 78.883 1.40795 10.9 1.9 1.8 6.0
88 5 0 5 39.488 78.976 1.40656 6.4 1.1 1.0 6.0
89 4 1 12 39.999 79.997 1.39157 24.5 4.2 3.9 6.0
90 3 1 19 40.288 80.576 1.38327 14.7 2.5 2.4 6.1
91 1 0 26 40.357 80.714 1.3813 11.8 2.0 1.9 6.1
92 3 3 0 40.432 80.865 1.37917 12.1 2.1 1.9 6.1
93 2 1 23 40.686 81.373 1.37204 75.2 12.8 12.0 6.1
94 2 0 25 41.3 82.6 1.35525 16.2 2.7 2.6 6.1
95 4 2 1 41.369 82.738 1.35339 17.9 3.0 2.9 6.1
96 2 4 2 41.472 82.945 1.35062 8.1 1.4 1.3 6.1
97 3 3 6 41.676 83.353 1.34521 25.5 4.3 4.1 6.1
98 4 2 4 41.886 83.772 1.33972 16.2 2.8 2.6 6.1
99 5 0 10 42.084 84.167 1.33459 17.1 2.9 2.7 6.1
100 2 2 21 42.149 84.299 1.33289 10.2 1.7 1.6 6.1
101 4 2 5 42.195 84.391 1.33171 6.2 1.0 1.0 6.1
102 1 4 15 42.794 85.587 1.31662 77.8 13.2 12.3 6.1
103 4 0 19 42.985 85.97 1.31189 7.3 1.2 1.1 6.1
104 4 2 7 43.02 86.039 1.31105 29.4 5.0 4.6 6.1
105 2 0 26 43.054 86.108 1.31021 16.6 2.8 2.6 6.1
106 3 3 9 43.222 86.445 1.3061 24.7 4.2 3.9 6.1
107 2 4 8 43.534 87.068 1.29861 7.3 1.2 1.1 6.1
108 2 1 25 43.988 87.975 1.28791 19.0 3.2 3.0 6.2
109 1 0 28 44.073 88.146 1.28593 11.6 2.0 1.8 6.2
110 1 5 4 44.57 89.139 1.27457 9.7 1.6 1.5 6.2
111 4 2 10 44.766 89.533 1.27015 8.9 1.5 1.4 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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