Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
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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HOLLANDITE
19, td-hollandite, DF
BaAl(2)Ti(6)O(16)
Tetragonal I 4 Z = 5
R =0.0428 NR =660
21 .12 .1992
Ref.Str.:
Bolotina N.B., Dmitrieva M.T., Rastsvetaeva R.K. (1992)
* Kristallogr., 37, 3, 598-605
Reserv:
[Ba(1.14)K(0.05)][Ti(5.81)V(1.34)Cr(0.36)Fe(0.20)Mn(0.16)Al(0.09)]
(O,OH)(16)
Modulated structure S.O.L.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.071 alpha = 90.0
b = 10.071 beta = 90.0
c = 14.81 gamma = 90.0
Unit cell volume (cub. angs.) = 1502.1
Molar volume ( cub.cm/mol.) = 180.95
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.1303 0.0 Ba = 0.65, Ba = 0.0
2 0.0 0.0 0.2941 0.0 Ba = 0.07, Ba = 0.0
3 0.0 0.0 0.5189 0.0 Ba = 0.58, Ba = 0.0
4 0.0 0.0 0.7149 0.0 Ba = 0.32, Ba = 0.0
5 0.0 0.0 0.8966 0.0 Ba = 0.31, Ba = 0.0
6 0.0 0.0 0.0643 0.0 Ba = 0.03, Ba = 0.0
7 0.0 0.0 0.2475 0.0 Ba = 0.2 , Ba = 0.0
8 0.0 0.0 0.4913 0.0 Ba = 0.33, Ba = 0.0
9 0.0 0.0 0.8809 0.0 Ba = 0.39, Ba = 0.0
10 0.3537 0.1712 0.1982 0.0 Ti = 0.8 , V = 0.15, Cr = 0.05
11 0.3484 0.1646 0.3982 0.0 Ti = 0.8 , V = 0.15, Cr = 0.05
12 0.3505 0.167 0.5982 0.0 Ti = 0.8 , V = 0.15, Cr = 0.05
13 0.3524 0.1698 0.7982 0.0 Ti = 0.8 , V = 0.15, Cr = 0.05
14 0.3472 0.1629 0.9982 0.0 Ti = 0.8 , V = 0.15, Cr = 0.05
15 0.3398 0.3007 0.1 0.0 O = 1.00
16 0.3494 0.2979 0.3015 0.0 O = 1.00
17 0.3466 0.3011 0.5009 0.0 O = 1.00
18 0.3415 0.2987 0.7004 0.0 O = 1.00
19 0.3525 0.2993 0.9018 0.0 O = 1.00
20 0.3322 0.0419 0.1009 0.0 O = 1.00
21 0.3353 0.0408 0.2998 0.0 O = 1.00
22 0.3325 0.0405 0.5002 0.0 O = 1.00
23 0.334 0.0421 0.7006 0.0 O = 1.00
24 0.3343 0.0399 0.8996 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.1303
2 2 0.0 0.0 0.2941
3 3 0.0 0.0 0.5189
4 4 0.0 0.0 0.7149
5 5 0.0 0.0 0.8966
6 6 0.0 0.0 0.0643
7 7 0.0 0.0 0.2475
8 8 0.0 0.0 0.4913
9 9 0.0 0.0 0.8809
10 10 0.3537 0.1712 0.1982
11 11 0.3484 0.1646 0.3982
12 12 0.3505 0.167 0.5982
13 13 0.3524 0.1698 0.7982
14 14 0.3472 0.1629 0.9982
15 15 0.3398 0.3007 0.1
16 16 0.3494 0.2979 0.3015
17 17 0.3466 0.3011 0.5009
18 18 0.3415 0.2987 0.7004
19 19 0.3525 0.2993 0.9018
20 20 0.3322 0.0419 0.1009
21 21 0.3353 0.0408 0.2998
22 22 0.3325 0.0405 0.5002
23 23 0.334 0.0421 0.7006
24 24 0.3343 0.0399 0.8996
25 10 0.8288 0.3537 0.1982
26 10 0.6463 0.8288 0.1982
27 10 0.1712 0.6463 0.1982
28 11 0.8354 0.3484 0.3982
29 11 0.6516 0.8354 0.3982
30 11 0.1646 0.6516 0.3982
31 12 0.833 0.3505 0.5982
32 12 0.6495 0.833 0.5982
33 12 0.167 0.6495 0.5982
34 13 0.8302 0.3524 0.7982
35 13 0.6476 0.8302 0.7982
36 13 0.1698 0.6476 0.7982
37 14 0.8371 0.3472 0.9982
38 14 0.6528 0.8371 0.9982
39 14 0.1629 0.6528 0.9982
40 15 0.6993 0.3398 0.1
41 15 0.6602 0.6993 0.1
42 15 0.3007 0.6602 0.1
43 16 0.7021 0.3494 0.3015
44 16 0.6506 0.7021 0.3015
45 16 0.2979 0.6506 0.3015
46 17 0.6989 0.3466 0.5009
47 17 0.6534 0.6989 0.5009
48 17 0.3011 0.6534 0.5009
49 18 0.7013 0.3415 0.7004
50 18 0.6585 0.7013 0.7004
51 18 0.2987 0.6585 0.7004
52 19 0.7007 0.3525 0.9018
53 19 0.6475 0.7007 0.9018
54 19 0.2993 0.6475 0.9018
55 20 0.9581 0.3322 0.1009
56 20 0.6678 0.9581 0.1009
57 20 0.0419 0.6678 0.1009
58 21 0.9592 0.3353 0.2998
59 21 0.6647 0.9592 0.2998
60 21 0.0408 0.6647 0.2998
61 22 0.9595 0.3325 0.5002
62 22 0.6675 0.9595 0.5002
63 22 0.0405 0.6675 0.5002
64 23 0.9579 0.334 0.7006
65 23 0.666 0.9579 0.7006
66 23 0.0421 0.666 0.7006
67 24 0.9601 0.3343 0.8996
68 24 0.6657 0.9601 0.8996
69 24 0.0399 0.6657 0.8996
70 1 0.5 0.5 0.6303
71 2 0.5 0.5 0.7941
72 3 0.5 0.5 0.0189
73 4 0.5 0.5 0.2149
74 5 0.5 0.5 0.3966
75 6 0.5 0.5 0.5643
76 7 0.5 0.5 0.7475
77 8 0.5 0.5 0.9913
78 9 0.5 0.5 0.3809
79 10 0.1463 0.3288 0.6982
80 11 0.1516 0.3354 0.8982
81 12 0.1495 0.333 0.0982
82 13 0.1476 0.3302 0.2982
83 14 0.1528 0.3371 0.4982
84 15 0.1602 0.1993 0.6
85 16 0.1506 0.2021 0.8015
86 17 0.1534 0.1989 0.0009
87 18 0.1585 0.2013 0.2004
88 19 0.1475 0.2007 0.4018
89 20 0.1678 0.4581 0.6009
90 21 0.1647 0.4592 0.7998
91 22 0.1675 0.4595 0.0002
92 23 0.166 0.4579 0.2006
93 24 0.1657 0.4601 0.3996
94 10 0.6712 0.1463 0.6982
95 10 0.8537 0.6712 0.6982
96 10 0.3288 0.8537 0.6982
97 11 0.6646 0.1516 0.8982
98 11 0.8484 0.6646 0.8982
99 11 0.3354 0.8484 0.8982
100 12 0.667 0.1495 0.0982
101 12 0.8505 0.667 0.0982
102 12 0.333 0.8505 0.0982
103 13 0.6698 0.1476 0.2982
104 13 0.8524 0.6698 0.2982
105 13 0.3302 0.8524 0.2982
106 14 0.6629 0.1528 0.4982
107 14 0.8472 0.6629 0.4982
108 14 0.3371 0.8472 0.4982
109 15 0.8007 0.1602 0.6
110 15 0.8398 0.8007 0.6
111 15 0.1993 0.8398 0.6
112 16 0.7979 0.1506 0.8015
113 16 0.8494 0.7979 0.8015
114 16 0.2021 0.8494 0.8015
115 17 0.8011 0.1534 0.0009
116 17 0.8466 0.8011 0.0009
117 17 0.1989 0.8466 0.0009
118 18 0.7987 0.1585 0.2004
119 18 0.8415 0.7987 0.2004
120 18 0.2013 0.8415 0.2004
121 19 0.7993 0.1475 0.4018
122 19 0.8525 0.7993 0.4018
123 19 0.2007 0.8525 0.4018
124 20 0.5419 0.1678 0.6009
125 20 0.8322 0.5419 0.6009
126 20 0.4581 0.8322 0.6009
127 21 0.5408 0.1647 0.7998
128 21 0.8353 0.5408 0.7998
129 21 0.4592 0.8353 0.7998
130 22 0.5405 0.1675 0.0002
131 22 0.8325 0.5405 0.0002
132 22 0.4595 0.8325 0.0002
133 23 0.5421 0.166 0.2006
134 23 0.834 0.5421 0.2006
135 23 0.4579 0.834 0.2006
136 24 0.5399 0.1657 0.3996
137 24 0.8343 0.5399 0.3996
138 24 0.4601 0.8343 0.3996
X-ray density (g/cm cub.) = 4.44
MU (1/cm) = 765.68 Mass attenuation coefficient (cm**2/g) = 172.633
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba ,Ba 3.288 8
3.1736 17
2.7813 18
3.1736 17
3.1736 17
3.1736 17
2.7813 18
2.7813 18
2.7813 18
2 Ba ,Ba 3.288 8
2.9298 18
2.9726 19
2.9298 18
2.9298 18
2.9298 18
2.9726 19
2.9726 19
2.9726 19
3 Ba ,Ba 3.288 8
2.8415 15
3.0495 19
2.8415 15
2.8415 15
2.8415 15
3.0495 19
3.0495 19
3.0495 19
4 Ba ,Ba 3.288 8
3.0866 15
2.8439 16
3.0866 15
3.0866 15
3.0866 15
2.8439 16
2.8439 16
2.8439 16
5 Ba ,Ba 3.288 8
2.9029 16
2.964 17
2.9029 16
2.9029 16
2.9029 16
2.964 17
2.964 17
2.964 17
6 Ba ,Ba 3.288 8
2.6983 17
3.2743 18
2.6983 17
2.6983 17
2.6983 17
3.2743 18
3.2743 18
3.2743 18
7 Ba ,Ba 3.288 4
2.6729 18
2.6729 18
2.6729 18
2.6729 18
8 Ba ,Ba 3.288 8
3.037 15
2.8371 19
3.037 15
3.037 15
3.037 15
2.8371 19
2.8371 19
2.8371 19
9 Ba ,Ba 3.288 8
2.7975 16
3.0915 17
2.7975 16
2.7975 16
2.7975 16
3.0915 17
3.0915 17
3.0915 17
10 Ti ,V ,Cr 2.628 6
1.9585 15
1.9926 16
1.9542 20
2.0058 21
1.9894 18
1.8984 23
11 Ti ,V ,Cr 2.628 6
1.963 16
2.0502 17
1.9224 21
1.9671 22
2.0564 19
1.9287 24
12 Ti ,V ,Cr 2.628 6
1.9753 17
2.0145 18
1.9397 22
1.9773 23
1.9441 15
1.928 20
13 Ti ,V ,Cr 2.628 6
1.9481 18
2.0137 19
1.9436 23
2.0 24
2.0588 16
1.8982 21
14 Ti ,V ,Cr 2.628 6
2.0505 15
1.982 19
1.9548 20
1.9193 24
1.9856 17
1.9475 22
15 O 3.264 9
2.9859 16
2.9382 19
2.6075 20
2.5941 17
2.5587 18
2.7845 22
2.791 23
2.8407 22
2.8655 23
16 O 3.264 9
2.9859 15
2.9534 17
2.5933 21
2.6238 18
2.7017 19
2.8707 23
2.8639 24
2.7864 23
2.7503 24
17 O 3.264 9
2.9534 16
2.9551 18
2.6284 22
2.5941 15
2.6827 19
2.8171 20
2.852 24
2.8043 20
2.8107 24
18 O 3.264 9
2.9551 17
2.9848 19
2.5853 23
2.5587 15
2.6238 16
2.7944 20
2.8196 21
2.8254 20
2.8314 21
19 O 3.264 9
2.9382 15
2.9848 18
2.619 24
2.7017 16
2.6827 17
2.9073 21
2.8632 22
2.7777 21
2.7332 22
20 O 3.264 11
2.6075 15
2.9459 21
2.9814 24
2.8171 17
2.7944 18
2.8043 17
2.8254 18
2.8679 22
2.8836 22
2.8655 23
2.8577 23
21 O 3.264 11
2.5933 16
2.9459 20
2.9681 22
2.8196 18
2.9073 19
2.8314 18
2.7777 19
2.8436 23
2.832 23
2.8307 24
2.8442 24
22 O 3.264 11
2.6284 17
2.9681 21
2.968 23
2.7845 15
2.8632 19
2.8407 15
2.7332 19
2.8836 20
2.8679 20
2.8587 24
2.8607 24
23 O 3.264 11
2.5853 18
2.968 22
2.9473 24
2.791 15
2.8707 16
2.8655 15
2.7864 16
2.8577 20
2.8655 20
2.832 21
2.8436 21
24 O 3.264 11
2.619 19
2.9814 20
2.9473 23
2.8639 16
2.852 17
2.7503 16
2.8107 17
2.8442 21
2.8307 21
2.8607 22
2.8587 22
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 1 0 1 5.307 10.614 0.06 230.8 8 6.6 3.6
2 0 0 2 5.971 11.942 0.068 181.86 2 49.6 39.6
3 1 1 0 6.21 12.419 0.07 167.97 4 36.5 39.7
4 1 1 2 8.631 17.262 0.097 85.87 8 47.9 69.9
5 2 0 0 8.799 17.598 0.099 82.54 4 142.7 297.8
6 1 0 3 10.007 20.014 0.113 63.32 8 141.0 446.3
7 1 2 1 10.297 20.595 0.116 59.68 8 6.2 0.8
8 2 1 1 10.297 20.595 0.116 59.68 8 6.3 0.8
9 2 0 2 10.66 21.321 0.12 55.54 8 44.4 38.8
10 0 0 4 12.008 24.015 0.135 43.33 2 26.6 2.7
11 2 2 0 12.494 24.987 0.14 39.87 4 343.8 835.5
12 1 2 3 13.386 26.772 0.15 34.47 8 152.4 283.8
13 2 1 3 13.386 26.772 0.15 34.47 8 147.7 266.5
14 1 1 4 13.561 27.122 0.152 33.53 8 25.9 8.0
15 3 0 1 13.608 27.216 0.153 33.29 8 5.7 0.4
16 2 2 2 13.889 27.778 0.156 31.87 8 46.2 24.2
17 1 3 0 13.997 27.993 0.157 31.35 4 732.5 2982.0
18 3 1 0 13.997 27.993 0.157 31.35 4 506.9 1428.1
19 2 0 4 14.965 29.93 0.168 27.18 8 25.5 6.3
20 1 3 2 15.265 30.53 0.171 26.05 8 25.6 6.1
21 3 1 2 15.265 30.53 0.171 26.05 8 62.6 36.2
22 1 0 5 15.728 31.456 0.176 24.43 8 178.6 276.4
23 3 0 3 16.11 32.22 0.18 23.19 8 132.0 143.3
24 2 3 1 16.298 32.596 0.182 22.62 8 5.6 0.3
25 3 2 1 16.298 32.596 0.182 22.62 8 5.6 0.3
26 2 2 4 17.466 34.932 0.195 19.46 8 24.0 4.0
27 4 0 0 17.815 35.629 0.199 18.64 4 222.5 163.6
28 1 2 5 18.135 36.269 0.202 17.92 8 474.7 1431.9
29 2 1 5 18.135 36.269 0.202 17.92 8 283.4 510.5
30 0 0 6 18.184 36.367 0.203 17.82 2 49.9 3.9
31 2 3 3 18.473 36.945 0.206 17.21 8 114.0 79.4
32 3 2 3 18.473 36.945 0.206 17.21 8 126.7 98.0
33 1 3 4 18.604 37.209 0.207 16.94 8 23.8 3.4
34 3 1 4 18.604 37.209 0.207 16.94 8 24.0 3.5
35 1 4 1 18.64 37.279 0.207 16.87 8 5.8 0.2
36 4 1 1 18.64 37.279 0.207 16.87 8 5.2 0.2
37 4 0 2 18.853 37.706 0.21 16.45 8 37.2 8.1
38 3 3 0 18.935 37.87 0.211 16.3 4 31.1 2.8
39 1 1 6 19.286 38.571 0.214 15.65 8 49.1 13.4
40 3 3 2 19.923 39.847 0.221 14.56 8 38.4 7.6
41 2 4 0 20.002 40.004 0.222 14.43 4 469.6 564.3
42 4 2 0 20.002 40.004 0.222 14.43 4 322.0 265.2
43 3 0 5 20.292 40.585 0.225 13.98 8 563.7 1574.5
44 2 0 6 20.337 40.674 0.226 13.91 8 48.2 11.5
45 1 4 3 20.6 41.2 0.228 13.52 8 114.4 62.7
46 4 1 3 20.6 41.2 0.228 13.52 8 124.1 73.8
47 2 4 2 20.948 41.896 0.232 13.02 8 55.7 14.3
48 4 2 2 20.948 41.896 0.232 13.02 8 27.7 3.5
49 4 0 4 21.714 43.428 0.24 12.01 8 22.9 2.2
50 1 0 7 21.84 43.681 0.241 11.86 8 39.8 6.7
51 2 3 5 22.275 44.549 0.246 11.34 8 90.3 32.8
52 3 2 5 22.275 44.549 0.246 11.34 8 260.3 272.4
53 2 2 6 22.316 44.632 0.246 11.29 8 46.7 8.7
54 3 3 4 22.672 45.345 0.25 10.9 8 22.7 2.0
55 3 4 1 22.702 45.405 0.251 10.86 8 5.2 0.1
56 4 3 1 22.702 45.405 0.251 10.86 8 5.7 0.1
57 5 0 1 22.702 45.405 0.251 10.86 8 5.2 0.1
58 1 5 0 22.954 45.909 0.253 10.6 4 101.6 19.4
59 5 1 0 22.954 45.909 0.253 10.6 4 385.8 279.6
60 1 3 6 23.255 46.51 0.256 10.29 8 45.7 7.6
61 3 1 6 23.255 46.51 0.256 10.29 8 46.0 7.7
62 2 4 4 23.6 47.2 0.26 9.95 8 22.5 1.8
63 4 2 4 23.6 47.2 0.26 9.95 8 21.6 1.7
64 1 2 7 23.719 47.437 0.261 9.84 8 17.0 1.0
65 2 1 7 23.719 47.437 0.261 9.84 8 19.7 1.4
66 1 5 2 23.805 47.611 0.262 9.76 8 51.3 9.1
67 5 1 2 23.805 47.611 0.262 9.76 8 28.9 2.9
68 1 4 5 24.126 48.253 0.265 9.47 8 275.7 255.1
69 4 1 5 24.126 48.253 0.265 9.47 8 548.1 1008.2
70 3 4 3 24.395 48.791 0.268 9.23 8 143.0 66.9
71 4 3 3 24.395 48.791 0.268 9.23 8 133.2 58.0
72 5 0 3 24.395 48.791 0.268 9.23 8 154.4 78.0
73 2 5 1 24.529 49.058 0.269 9.12 8 4.6 0.1
74 5 2 1 24.529 49.058 0.269 9.12 8 5.5 0.1
75 0 0 8 24.588 49.176 0.27 9.07 2 150.5 18.2
76 1 1 8 25.462 50.924 0.279 8.37 8 147.1 64.2
77 3 0 7 25.49 50.979 0.279 8.35 8 30.3 2.7
78 4 4 0 25.637 51.274 0.281 8.24 4 356.3 185.6
79 4 0 6 25.914 51.827 0.284 8.04 8 44.5 5.6
80 2 5 3 26.132 52.265 0.286 7.89 8 111.2 34.6
81 5 2 3 26.132 52.265 0.286 7.89 8 90.3 22.8
82 1 5 4 26.233 52.466 0.287 7.82 8 21.3 1.3
83 5 1 4 26.233 52.466 0.287 7.82 8 21.0 1.2
84 2 0 8 26.316 52.631 0.288 7.77 8 153.0 64.5
85 4 4 2 26.423 52.846 0.289 7.7 8 52.3 7.5
86 3 5 0 26.486 52.972 0.289 7.65 4 323.8 142.3
87 5 3 0 26.486 52.972 0.289 7.65 4 176.7 42.3
88 3 3 6 26.757 53.514 0.292 7.48 8 44.4 5.2
89 2 3 7 27.176 54.352 0.296 7.22 8 47.5 5.8
90 3 2 7 27.176 54.352 0.296 7.22 8 30.5 2.4
91 3 5 2 27.255 54.51 0.297 7.17 8 21.6 1.2
92 5 3 2 27.255 54.51 0.297 7.17 8 45.4 5.2
93 6 0 0 27.317 54.634 0.298 7.13 4 885.8 992.6
94 3 4 5 27.546 55.093 0.3 7.0 8 43.8 4.8
95 4 3 5 27.546 55.093 0.3 7.0 8 135.7 45.7
96 5 0 5 27.546 55.093 0.3 7.0 8 98.2 23.9
97 2 4 6 27.582 55.164 0.301 6.98 8 43.5 4.7
98 4 2 6 27.582 55.164 0.301 6.98 8 43.0 4.6
99 1 6 1 27.914 55.827 0.304 6.79 8 4.4 0.0
100 6 1 1 27.914 55.827 0.304 6.79 8 5.0 0.1
101 2 2 8 27.967 55.934 0.304 6.76 8 140.7 47.5
102 6 0 2 28.07 56.14 0.305 6.71 8 47.2 5.3
103 1 0 9 28.314 56.628 0.308 6.58 8 32.6 2.5
104 4 4 4 28.691 57.382 0.312 6.38 8 20.2 0.9
105 1 3 8 28.769 57.538 0.312 6.34 8 128.6 37.2
106 3 1 8 28.769 57.538 0.312 6.34 8 163.7 60.3
107 1 4 7 28.794 57.588 0.313 6.33 8 36.9 3.1
108 4 1 7 28.794 57.588 0.313 6.33 8 27.6 1.7
109 2 6 0 28.93 57.859 0.314 6.26 4 147.3 24.1
110 6 2 0 28.93 57.859 0.314 6.26 4 89.2 8.8
111 2 5 5 29.151 58.302 0.316 6.16 8 709.3 1098.4
112 5 2 5 29.151 58.302 0.316 6.16 8 330.2 238.0
113 1 6 3 29.387 58.774 0.319 6.05 8 95.1 19.4
114 6 1 3 29.387 58.774 0.319 6.05 8 104.9 23.6
115 3 5 4 29.48 58.96 0.319 6.0 8 19.6 0.8
116 5 3 4 29.48 58.96 0.319 6.0 8 20.3 0.9
117 4 5 1 29.505 59.01 0.32 5.99 8 4.4 0.0
118 5 4 1 29.505 59.01 0.32 5.99 8 3.8 0.0
119 2 6 2 29.656 59.312 0.321 5.92 8 27.0 1.5
120 6 2 2 29.656 59.312 0.321 5.92 8 56.1 6.6
121 1 2 9 29.892 59.783 0.323 5.82 8 31.7 2.1
122 2 1 9 29.892 59.783 0.323 5.82 8 32.0 2.1
123 1 5 6 29.966 59.932 0.324 5.79 8 41.6 3.6
124 5 1 6 29.966 59.932 0.324 5.79 8 41.8 3.6
125 6 0 4 30.256 60.512 0.327 5.66 8 19.1 0.7
126 4 5 3 30.931 61.861 0.334 5.39 8 81.0 12.5
127 5 4 3 30.931 61.861 0.334 5.39 8 91.5 16.0
128 3 6 1 31.045 62.089 0.335 5.35 8 5.1 0.0
129 6 3 1 31.045 62.089 0.335 5.35 8 3.9 0.0
130 4 0 8 31.095 62.19 0.335 5.33 8 131.8 32.8
131 0 0 10 31.34 62.679 0.338 5.24 2 850.5 336.0
132 3 0 9 31.42 62.84 0.338 5.21 8 31.1 1.8
133 2 6 4 31.774 63.548 0.342 5.08 8 19.9 0.7
134 6 2 4 31.774 63.548 0.342 5.08 8 20.7 0.8
135 3 3 8 31.848 63.695 0.343 5.06 8 131.8 31.2
136 3 4 7 31.871 63.743 0.343 5.05 8 10.7 0.2
137 4 3 7 31.871 63.743 0.343 5.05 8 11.4 0.2
138 5 0 7 31.871 63.743 0.343 5.05 8 9.3 0.2
139 1 1 10 32.089 64.178 0.345 4.98 8 154.3 42.0
140 1 6 5 32.208 64.415 0.346 4.94 8 139.3 34.0
141 6 1 5 32.208 64.415 0.346 4.94 8 336.6 198.3
142 4 4 6 32.24 64.479 0.346 4.93 8 39.8 2.8
143 3 6 3 32.431 64.861 0.348 4.86 8 101.7 17.8
144 6 3 3 32.431 64.861 0.348 4.86 8 127.5 28.0
145 7 0 1 32.542 65.084 0.349 4.83 8 4.5 0.0
146 2 4 8 32.591 65.181 0.35 4.81 8 152.1 39.5
147 4 2 8 32.591 65.181 0.35 4.81 8 115.3 22.7
148 1 7 0 32.74 65.48 0.351 4.76 4 183.1 28.3
149 5 5 0 32.74 65.48 0.351 4.76 4 205.5 35.7
150 7 1 0 32.74 65.48 0.351 4.76 4 130.7 14.4
151 2 0 10 32.829 65.658 0.352 4.74 8 212.7 76.0
152 2 3 9 32.908 65.816 0.353 4.71 8 30.7 1.6
153 3 2 9 32.908 65.816 0.353 4.71 8 30.7 1.6
154 3 5 6 32.978 65.956 0.353 4.69 8 39.2 2.6
155 5 3 6 32.978 65.956 0.353 4.69 8 39.8 2.6
156 2 5 7 33.348 66.697 0.357 4.58 8 29.1 1.4
157 5 2 7 33.348 66.697 0.357 4.58 8 49.7 4.0
158 1 7 2 33.418 66.836 0.357 4.56 8 44.3 3.2
159 5 5 2 33.418 66.836 0.357 4.56 8 35.7 2.1
160 7 1 2 33.418 66.836 0.357 4.56 8 18.3 0.5
161 4 6 0 33.473 66.946 0.358 4.55 4 168.1 22.8
162 6 4 0 33.473 66.946 0.358 4.55 4 59.2 2.8
163 4 5 5 33.677 67.353 0.36 4.49 8 234.7 87.7
164 5 4 5 33.677 67.353 0.36 4.49 8 773.0 950.8
165 6 0 6 33.708 67.416 0.36 4.48 8 38.9 2.4
166 7 0 3 33.895 67.789 0.362 4.43 8 77.8 9.5
167 2 7 1 34.003 68.007 0.363 4.4 8 5.0 0.0
168 7 2 1 34.003 68.007 0.363 4.4 8 3.9 0.0
169 4 6 2 34.143 68.287 0.364 4.36 8 42.7 2.8
170 6 4 2 34.143 68.287 0.364 4.36 8 30.0 1.4
171 2 2 10 34.285 68.569 0.366 4.32 8 115.6 20.5
172 1 4 9 34.362 68.723 0.366 4.3 8 30.2 1.4
173 4 1 9 34.362 68.723 0.366 4.3 8 29.8 1.4
174 1 5 8 34.77 69.54 0.37 4.2 8 142.7 30.3
175 5 1 8 34.77 69.54 0.37 4.2 8 120.8 21.7
176 1 3 10 35.001 70.003 0.372 4.14 8 365.8 196.6
177 3 1 10 35.001 70.003 0.372 4.14 8 220.5 71.5
178 3 6 5 35.115 70.23 0.373 4.12 8 229.0 76.6
179 6 3 5 35.115 70.23 0.373 4.12 8 225.6 74.3
180 2 6 6 35.146 70.291 0.374 4.11 8 39.0 2.2
181 6 2 6 35.146 70.291 0.374 4.11 8 39.9 2.3
182 1 0 11 35.254 70.509 0.375 4.08 8 91.4 12.1
183 2 7 3 35.329 70.658 0.375 4.07 8 119.6 20.6
184 7 2 3 35.329 70.658 0.375 4.07 8 120.2 20.8
185 1 7 4 35.413 70.826 0.376 4.05 8 19.4 0.5
186 5 5 4 35.413 70.826 0.376 4.05 8 19.4 0.5
187 7 1 4 35.413 70.826 0.376 4.05 8 18.8 0.5
188 3 7 0 35.626 71.252 0.378 4.0 4 438.1 136.1
189 7 3 0 35.626 71.252 0.378 4.0 4 542.0 208.3
190 4 6 4 36.12 72.239 0.383 3.89 8 19.5 0.5
191 6 4 4 36.12 72.239 0.383 3.89 8 18.4 0.5
192 1 6 7 36.211 72.422 0.383 3.88 8 35.6 1.7
193 6 1 7 36.211 72.422 0.383 3.88 8 36.5 1.8
194 3 7 2 36.278 72.557 0.384 3.86 8 55.3 4.2
195 7 3 2 36.278 72.557 0.384 3.86 8 34.2 1.6
196 7 0 5 36.528 73.055 0.386 3.81 8 203.2 55.8
197 1 2 11 36.665 73.33 0.388 3.78 8 89.9 10.8
198 2 1 11 36.665 73.33 0.388 3.78 8 90.0 10.9
199 5 6 1 36.843 73.686 0.389 3.75 8 4.8 0.0
200 6 5 1 36.843 73.686 0.389 3.75 8 5.4 0.0
201 4 4 8 36.889 73.779 0.39 3.74 8 141.6 26.6
202 4 0 10 37.115 74.23 0.392 3.7 8 283.6 105.4
203 3 4 9 37.19 74.379 0.392 3.68 8 29.0 1.1
204 4 3 9 37.19 74.379 0.392 3.68 8 29.5 1.1
205 5 0 9 37.19 74.379 0.392 3.68 8 29.4 1.1
206 3 5 8 37.585 75.17 0.396 3.61 8 118.8 18.1
207 5 3 8 37.585 75.17 0.396 3.61 8 145.0 27.0
208 4 5 7 37.607 75.214 0.396 3.61 8 45.2 2.6
209 5 4 7 37.607 75.214 0.396 3.61 8 36.3 1.7
210 8 0 0 37.726 75.451 0.397 3.59 4 45.5 1.3
211 3 3 10 37.809 75.618 0.398 3.58 8 218.4 60.5
212 2 7 5 37.919 75.839 0.399 3.56 8 90.9 10.4
213 7 2 5 37.919 75.839 0.399 3.56 8 220.6 61.4
214 3 0 11 38.055 76.11 0.4 3.53 8 88.4 9.8
215 5 6 3 38.127 76.254 0.401 3.52 8 131.0 21.4
216 6 5 3 38.127 76.254 0.401 3.52 8 106.3 14.1
217 3 7 4 38.209 76.418 0.401 3.51 8 18.2 0.4
218 7 3 4 38.209 76.418 0.401 3.51 8 17.5 0.4
219 1 8 1 38.231 76.462 0.402 3.51 8 4.5 0.0
220 4 7 1 38.231 76.462 0.402 3.51 8 4.1 0.0
221 7 4 1 38.231 76.462 0.402 3.51 8 5.0 0.0
222 8 1 1 38.231 76.462 0.402 3.51 8 5.5 0.0
223 6 0 8 38.276 76.553 0.402 3.5 8 135.9 22.9
224 8 0 2 38.364 76.729 0.403 3.49 8 29.9 1.1
225 2 4 10 38.499 76.998 0.404 3.46 8 196.2 47.3
226 4 2 10 38.499 76.998 0.404 3.46 8 137.0 23.1
227 2 5 9 38.573 77.146 0.405 3.45 8 27.9 1.0
228 5 2 9 38.573 77.146 0.405 3.45 8 28.8 1.0
229 0 0 12 38.618 77.237 0.405 3.45 2 60.2 1.1
230 1 7 6 38.639 77.277 0.405 3.44 8 38.9 1.8
231 5 5 6 38.639 77.277 0.405 3.44 8 38.8 1.8
232 7 1 6 38.639 77.277 0.405 3.44 8 37.3 1.7
233 3 6 7 38.986 77.971 0.408 3.39 8 28.1 1.0
234 6 3 7 38.986 77.971 0.408 3.39 8 6.3 0.0
235 2 8 0 39.103 78.205 0.409 3.37 4 268.2 43.0
236 8 2 0 39.103 78.205 0.409 3.37 4 96.4 5.6
237 1 1 12 39.304 78.608 0.411 3.35 8 59.0 4.1
238 4 6 6 39.324 78.648 0.411 3.34 8 38.7 1.8
239 6 4 6 39.324 78.648 0.411 3.34 8 36.7 1.6
240 2 3 11 39.428 78.857 0.412 3.33 8 86.9 8.9
241 3 2 11 39.428 78.857 0.412 3.33 8 86.7 8.9
242 1 8 3 39.5 79.0 0.413 3.32 8 133.0 20.8
243 4 7 3 39.5 79.0 0.413 3.32 8 112.8 15.0
244 7 4 3 39.5 79.0 0.413 3.32 8 92.2 10.0
245 8 1 3 39.5 79.0 0.413 3.32 8 98.8 11.5
246 2 6 8 39.648 79.295 0.414 3.3 8 97.8 11.2
247 6 2 8 39.648 79.295 0.414 3.3 8 147.1 25.3
248 2 8 2 39.735 79.469 0.415 3.29 8 38.4 1.7
249 8 2 2 39.735 79.469 0.415 3.29 8 36.4 1.5
250 2 0 12 39.986 79.972 0.417 3.26 8 63.5 4.6
251 8 0 4 40.262 80.524 0.42 3.22 8 18.0 0.4
252 7 0 7 40.35 80.7 0.42 3.21 8 47.1 2.5
253 6 6 0 40.466 80.932 0.421 3.2 4 557.6 176.3
254 1 5 10 40.548 81.096 0.422 3.19 8 177.8 35.7
255 5 1 10 40.548 81.096 0.422 3.19 8 149.0 25.1
256 5 6 5 40.656 81.312 0.423 3.18 8 115.9 15.1
257 6 5 5 40.656 81.312 0.423 3.18 8 100.5 11.4
258 1 4 11 40.789 81.578 0.424 3.16 8 86.4 8.4
259 4 1 11 40.789 81.578 0.424 3.16 8 85.2 8.1
260 3 8 1 40.962 81.923 0.426 3.14 8 3.3 0.0
261 8 3 1 40.962 81.923 0.426 3.14 8 3.6 0.0
262 6 6 2 41.093 82.185 0.427 3.13 8 47.5 2.5
263 5 7 0 41.144 82.287 0.427 3.12 4 376.4 78.5
264 7 5 0 41.144 82.287 0.427 3.12 4 140.1 10.9
265 1 6 9 41.298 82.595 0.428 3.11 8 27.6 0.8
266 6 1 9 41.298 82.595 0.428 3.11 8 27.8 0.9
267 2 2 12 41.342 82.685 0.429 3.1 8 56.3 3.5
268 3 7 6 41.362 82.725 0.429 3.1 8 35.7 1.4
269 7 3 6 41.362 82.725 0.429 3.1 8 35.2 1.4
270 2 8 4 41.616 83.232 0.431 3.07 8 16.6 0.3
271 8 2 4 41.616 83.232 0.431 3.07 8 17.3 0.3
272 2 7 7 41.704 83.408 0.432 3.07 8 6.9 0.1
273 7 2 7 41.704 83.408 0.432 3.07 8 5.0 0.0
274 5 7 2 41.768 83.537 0.432 3.06 8 18.1 0.4
275 7 5 2 41.768 83.537 0.432 3.06 8 59.9 3.9
276 1 8 5 42.008 84.016 0.434 3.04 8 229.0 56.5
277 4 7 5 42.008 84.016 0.434 3.04 8 216.6 50.5
278 7 4 5 42.008 84.016 0.434 3.04 8 100.2 10.8
279 8 1 5 42.008 84.016 0.434 3.04 8 145.1 22.7
280 1 3 12 42.017 84.035 0.434 3.04 8 67.0 4.8
281 3 1 12 42.017 84.035 0.434 3.04 8 54.2 3.2
282 3 8 3 42.211 84.421 0.436 3.02 8 67.1 4.8
283 8 3 3 42.211 84.421 0.436 3.02 8 55.5 3.3
284 4 4 10 42.574 85.148 0.439 2.99 8 160.6 27.3
285 4 5 9 42.646 85.292 0.44 2.98 8 27.1 0.8
286 5 4 9 42.646 85.292 0.44 2.98 8 26.7 0.8
287 1 0 13 42.879 85.758 0.442 2.96 8 75.0 5.9
288 6 6 4 42.963 85.926 0.442 2.96 8 16.0 0.3
289 1 7 8 43.029 86.058 0.443 2.95 8 126.8 16.8
290 5 5 8 43.029 86.058 0.443 2.95 8 103.2 11.1
291 7 1 8 43.029 86.058 0.443 2.95 8 96.7 9.8
292 4 8 0 43.165 86.33 0.444 2.94 4 180.3 17.0
293 8 4 0 43.165 86.33 0.444 2.94 4 353.8 65.3
294 3 5 10 43.246 86.493 0.445 2.94 8 140.5 20.5
295 5 3 10 43.246 86.493 0.445 2.94 8 48.0 2.4
296 8 0 6 43.382 86.765 0.446 2.93 8 35.9 1.3
297 3 4 11 43.485 86.97 0.447 2.92 8 83.1 7.2
298 4 3 11 43.485 86.97 0.447 2.92 8 84.1 7.3
299 5 0 11 43.485 86.97 0.447 2.92 8 83.5 7.2
300 5 7 4 43.635 87.269 0.448 2.91 8 16.1 0.3
301 7 5 4 43.635 87.269 0.448 2.91 8 17.4 0.3
302 9 0 1 43.656 87.312 0.448 2.91 8 3.4 0.0
303 4 6 8 43.7 87.401 0.448 2.9 8 130.3 17.5
304 6 4 8 43.7 87.401 0.448 2.9 8 90.6 8.5
305 4 8 2 43.786 87.572 0.449 2.9 8 12.8 0.2
306 8 4 2 43.786 87.572 0.449 2.9 8 26.3 0.7
307 1 9 0 43.836 87.673 0.45 2.89 4 612.5 192.5
308 9 1 0 43.836 87.673 0.45 2.89 4 232.6 27.8
309 6 0 10 43.917 87.835 0.45 2.89 8 530.6 288.4
310 3 6 9 43.989 87.979 0.451 2.89 8 27.4 0.8
311 6 3 9 43.989 87.979 0.451 2.89 8 26.3 0.7
312 4 0 12 44.034 88.067 0.451 2.88 8 59.9 3.7
313 1 2 13 44.222 88.443 0.453 2.87 8 80.7 6.6
314 2 1 13 44.222 88.443 0.453 2.87 8 79.1 6.4
315 5 6 7 44.393 88.785 0.454 2.86 8 6.8 0.0
316 6 5 7 44.393 88.785 0.454 2.86 8 14.2 0.2
317 1 9 2 44.457 88.913 0.455 2.86 8 11.0 0.1
318 9 1 2 44.457 88.913 0.455 2.86 8 60.7 3.7
319 3 8 5 44.695 89.39 0.457 2.84 8 260.0 68.1
320 8 3 5 44.695 89.39 0.457 2.84 8 174.8 30.8
321 3 3 12 44.704 89.408 0.457 2.84 8 57.0 3.3
322 2 8 6 44.724 89.448 0.457 2.84 8 34.3 1.2
323 8 2 6 44.724 89.448 0.457 2.84 8 34.8 1.2
324 2 5 11 44.826 89.653 0.458 2.84 8 81.8 6.7
325 5 2 11 44.826 89.653 0.458 2.84 8 83.0 6.9
326 9 0 3 44.896 89.793 0.458 2.83 8 77.5 6.0
327 2 9 1 44.997 89.994 0.459 2.83 8 4.2 0.0
328 6 7 1 44.997 89.994 0.459 2.83 8 3.5 0.0
329 7 6 1 44.997 89.994 0.459 2.83 8 3.2 0.0
330 9 2 1 44.997 89.994 0.459 2.83 8 3.9 0.0
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 1 1 2 8.631 17.262 5.13287 69.9 1.6 1.6 5.6
2 2 0 0 8.799 17.598 5.0355 297.8 6.8 6.8 5.6
3 1 0 3 10.007 20.014 4.43275 446.3 10.1 10.2 5.6
4 2 2 0 12.494 24.987 3.56064 835.5 18.9 19.0 5.6
5 1 2 3 13.386 26.772 3.32723 550.3 12.5 12.5 5.6
6 1 3 0 13.997 27.993 3.18473 4410.1 100.0 100.0 5.6
7 1 0 5 15.728 31.456 2.84165 276.4 6.3 6.3 5.6
8 3 0 3 16.11 32.22 2.77597 143.3 3.2 3.2 5.6
9 4 0 0 17.815 35.629 2.51775 163.6 3.7 3.7 5.7
10 1 2 5 18.135 36.269 2.47478 1942.3 44.0 43.7 5.7
11 3 2 3 18.473 36.945 2.43104 177.4 4.0 4.0 5.7
12 2 4 0 20.002 40.004 2.25194 829.5 18.8 18.6 5.7
13 3 0 5 20.292 40.585 2.22104 1574.5 35.7 35.3 5.7
14 4 1 3 20.6 41.2 2.18926 136.5 3.1 3.1 5.7
15 3 2 5 22.275 44.549 2.03214 305.2 6.9 6.8 5.7
16 5 1 0 22.954 45.909 1.97509 299.0 6.8 6.7 5.7
17 4 1 5 24.126 48.253 1.88447 1263.4 28.6 28.1 5.7
18 5 0 3 24.395 48.791 1.86494 202.9 4.6 4.5 5.7
19 1 1 8 25.462 50.924 1.7917 66.9 1.5 1.5 5.8
20 4 4 0 25.637 51.274 1.78032 185.6 4.2 4.1 5.8
21 2 5 3 26.132 52.265 1.74885 57.4 1.3 1.3 5.8
22 2 0 8 26.316 52.631 1.73755 64.5 1.5 1.4 5.8
23 3 5 0 26.486 52.972 1.72716 184.6 4.2 4.1 5.8
24 6 0 0 27.317 54.634 1.6785 992.6 22.5 21.9 5.8
25 5 0 5 27.546 55.093 1.66558 74.4 1.7 1.6 5.8
26 2 2 8 27.967 55.934 1.64251 47.5 1.1 1.0 5.8
27 3 1 8 28.769 57.538 1.60049 102.2 2.3 2.2 5.8
28 2 5 5 29.151 58.302 1.58133 1336.4 30.3 29.3 5.8
29 0 0 10 31.34 62.679 1.481 336.0 7.6 7.3 5.8
30 6 1 5 32.208 64.415 1.44521 232.3 5.3 5.1 5.9
31 6 3 3 32.431 64.861 1.43635 45.8 1.0 1.0 5.9
32 2 4 8 32.591 65.181 1.43006 62.1 1.4 1.3 5.9
33 5 5 0 32.74 65.48 1.42425 78.4 1.8 1.7 5.9
34 2 0 10 32.829 65.658 1.42082 76.0 1.7 1.6 5.9
35 5 4 5 33.677 67.353 1.38913 1038.4 23.5 22.5 5.9
36 1 5 8 34.77 69.54 1.35069 52.1 1.2 1.1 5.9
37 1 3 10 35.001 70.003 1.3429 268.1 6.1 5.8 5.9
38 3 6 5 35.115 70.23 1.33911 150.8 3.4 3.2 5.9
39 7 3 0 35.626 71.252 1.32239 344.4 7.8 7.4 5.9
40 7 0 5 36.528 73.055 1.29413 55.8 1.3 1.2 6.0
41 4 0 10 37.115 74.23 1.27653 105.4 2.4 2.3 6.0
42 5 3 8 37.585 75.17 1.26288 49.4 1.1 1.1 6.0
43 3 3 10 37.809 75.618 1.2565 60.5 1.4 1.3 6.0
44 7 2 5 37.919 75.839 1.2534 71.8 1.6 1.5 6.0
45 2 4 10 38.499 76.998 1.23739 70.3 1.6 1.5 6.0
46 2 8 0 39.103 78.205 1.22129 48.6 1.1 1.0 6.0
47 1 8 3 39.5 79.0 1.21099 57.3 1.3 1.2 6.0
48 6 6 0 40.466 80.932 1.18688 176.3 4.0 3.7 6.1
49 1 5 10 40.548 81.096 1.18489 60.8 1.4 1.3 6.1
50 5 7 0 41.144 82.287 1.17073 89.3 2.0 1.9 6.1
51 1 8 5 42.008 84.016 1.15099 148.5 3.4 3.1 6.1
52 8 4 0 43.165 86.33 1.12597 82.3 1.9 1.7 6.1
53 1 9 0 43.836 87.673 1.11216 220.3 5.0 4.6 6.2
54 6 0 10 43.917 87.835 1.11052 288.4 6.5 6.0 6.2
55 3 8 5 44.695 89.39 1.09519 104.6 2.4 2.2 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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