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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DRITSITE
1, DF
Li(2)Al(4)(OH)(12)Cl(2).3H(2)O
Hexagonal P 6(3)/mcm Z = 1
R =0.088 NR =257
26 .8 .20
Ref.Str.:
Zhitova E.S., Pekov I.V., Chaikovskiy I.I., Chirkova E.P., Yapaskurt V.O.,
Bychkova Y.V., Belakovskiy D.I., Chukanov N.V., Zubkova N.V., Krivovichev S.V.,
Bocharov V.N. (2019) * Minerals, 9, 492, doi:10.3390/min9080492
L: $Li1.99 Al4.00 Si0.01 Cl1.82 S0.01 O14.8 H17.4$
R: Locality - the Verkhnekamskoe salt deposit, Perm Krai, Russia.
H(2)O and Cl are interlayer components. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.096 alpha = 90.0
b = 5.096 beta = 90.0
c = 15.3578 gamma = 120.0
Unit cell volume (cub. angs.) = 345.4
Molar volume ( cub.cm/mol.) = 208.05
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.0 0.0 Al = 1.00
2 0.0 0.0 0.0 0.0 Li = 1.00
3 0.0 0.3653 0.9635 0.0 O = 1.00
4 0.0 0.368 0.125 0.0 H = 1.00
5 0.0 0.416 0.25 0.0 H(2)O = 0.12, H(2)O = 0.0
6 0.78 0.687 0.25 0.0 H(2)O = 0.16, H(2)O = 0.0
7 0.0 0.11 0.25 0.0 Cl = 0.04, Cl = 0.0
8 0.0 0.0 0.25 0.0 Cl = 0.04, Cl = 0.0
9 0.6667 0.3333 0.25 0.0 Cl = 0.03, Cl = 0.0
10 0.689 0.456 0.25 0.0 Cl = 0.05, Cl = 0.0
11 0.0 0.68 0.25 0.0 Cl = 0.01, Cl = 0.0
12 0.0 0.77 0.25 0.0 Cl = 0.06, Cl = 0.0
13 0.906 0.566 0.25 0.0 Cl = 0.05, Cl = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.0
2 2 0.0 0.0 0.0
3 3 0.0 0.3653 0.9635
4 4 0.0 0.368 0.125
5 5 0.0 0.416 0.25
6 6 0.78 0.687 0.25
7 7 0.0 0.11 0.25
8 8 0.0 0.0 0.25
9 9 0.6667 0.3333 0.25
10 10 0.689 0.456 0.25
11 11 0.0 0.68 0.25
12 12 0.0 0.77 0.25
13 13 0.906 0.566 0.25
14 3 0.6347 0.6347 0.9635
15 3 0.3653 0.0 0.9635
16 4 0.632 0.632 0.125
17 4 0.368 0.0 0.125
18 5 0.584 0.584 0.25
19 5 0.416 0.0 0.25
20 6 0.313 0.093 0.25
21 6 0.907 0.22 0.25
22 7 0.89 0.89 0.25
23 7 0.11 0.0 0.25
24 10 0.544 0.233 0.25
25 10 0.767 0.311 0.25
26 11 0.32 0.32 0.25
27 11 0.68 0.0 0.25
28 12 0.23 0.23 0.25
29 12 0.77 0.0 0.25
30 13 0.434 0.34 0.25
31 13 0.66 0.094 0.25
32 1 0.6667 0.3333 0.5
33 2 0.0 0.0 0.5
34 3 0.0 0.6347 0.4635
35 4 0.0 0.632 0.625
36 5 0.0 0.584 0.75
37 6 0.22 0.313 0.75
38 7 0.0 0.89 0.75
39 8 0.0 0.0 0.75
40 9 0.3333 0.6667 0.75
41 10 0.311 0.544 0.75
42 11 0.0 0.32 0.75
43 12 0.0 0.23 0.75
44 13 0.094 0.434 0.75
45 3 0.3653 0.3653 0.4635
46 3 0.6347 0.0 0.4635
47 4 0.368 0.368 0.625
48 4 0.632 0.0 0.625
49 5 0.416 0.416 0.75
50 5 0.584 0.0 0.75
51 6 0.687 0.907 0.75
52 6 0.093 0.78 0.75
53 7 0.11 0.11 0.75
54 7 0.89 0.0 0.75
55 10 0.456 0.767 0.75
56 10 0.233 0.689 0.75
57 11 0.68 0.68 0.75
58 11 0.32 0.0 0.75
59 12 0.77 0.77 0.75
60 12 0.23 0.0 0.75
61 13 0.566 0.66 0.75
62 13 0.34 0.906 0.75
63 1 0.3333 0.6666 0.5
64 6 0.78 0.093 0.75
65 9 0.6667 0.3334 0.75
66 10 0.689 0.233 0.75
67 13 0.906 0.34 0.75
68 6 0.313 0.22 0.75
69 6 0.907 0.687 0.75
70 10 0.544 0.311 0.75
71 10 0.767 0.456 0.75
72 13 0.434 0.094 0.75
73 13 0.66 0.566 0.75
74 1 0.6667 0.3334 0.0
75 6 0.22 0.907 0.25
76 9 0.3333 0.6666 0.25
77 10 0.311 0.767 0.25
78 13 0.094 0.66 0.25
79 6 0.687 0.78 0.25
80 6 0.093 0.313 0.25
81 10 0.456 0.689 0.25
82 10 0.233 0.544 0.25
83 13 0.566 0.906 0.25
84 13 0.34 0.434 0.25
85 3 0.0 0.3653 0.5365
86 4 0.0 0.368 0.375
87 3 0.6347 0.6347 0.5365
88 3 0.3653 0.0 0.5365
89 4 0.632 0.632 0.375
90 4 0.368 0.0 0.375
91 3 0.0 0.6347 0.0365
92 4 0.0 0.632 0.875
93 3 0.3653 0.3653 0.0365
94 3 0.6347 0.0 0.0365
95 4 0.368 0.368 0.875
96 4 0.632 0.0 0.875
X-ray density (g/cm cub.) = 2.13
MU (1/cm) = 73.777 Mass attenuation coefficient (cm**2/g) = 34.679
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Al 2.856 6
1.7174 3
1.7177 3
1.7172 3
1.7172 3
1.7176 3
1.7174 3
2 Li 2.988 6
1.9441 3
1.9442 3
1.9442 3
1.9441 3
1.9442 3
1.9442 3
3 O 3.804 29
2.8117 3
2.8117 3
3.2244 3
2.8117 3
3.2244 3
2.8117 3
3.4631 5
3.5182 6
3.7705 8
3.6587 9
3.5565 10
3.287 11
3.3506 12
3.3069 13
3.8 6
3.6725 7
3.6725 7
3.5949 10
3.5182 6
3.6587 9
3.5565 10
3.3069 13
3.8 6
3.5949 10
1.7725 3
2.1731 3
3.4232 3
3.4232 3
2.1731 3
4 H 2.172 4
1.9352 5
2.0301 6
2.0301 6
1.9221 3
5 H(2)O,H(2)O 3.972 76
3.4954 6
2.1708 6
3.3005 6
3.5366 7
1.5594 7
2.9761 8
2.1199 8
3.6266 9
1.5319 9
3.4138 10
1.696 10
1.3453 11
3.7507 11
1.804 12
3.292 12
1.0862 13
2.6537 5
2.6536 5
3.6719 5
2.6537 5
3.6719 5
2.6536 5
2.9906 6
2.807 6
3.0337 6
0.8654 6
3.9306 7
2.7391 7
2.4489 7
2.7391 7
2.4489 7
3.9305 7
3.6711 10
3.3377 10
2.0255 10
1.0299 10
1.9226 11
3.2484 11
3.2485 11
1.9226 11
3.7039 12
1.8394 12
3.5463 12
3.5463 12
3.7039 12
1.8393 12
2.4286 13
2.7115 13
3.4102 13
1.6886 13
3.4631 3
3.8424 3
3.8424 3
2.1708 6
3.3005 6
3.4954 6
1.5319 9
3.6266 9
1.696 10
3.4138 10
1.0862 13
3.0337 6
2.9906 6
2.807 6
0.8654 6
2.0255 10
3.6711 10
3.3377 10
1.0299 10
2.7115 13
2.4286 13
1.6886 13
3.4102 13
3.4631 3
3.8424 3
3.8424 3
6 H(2)O,H(2)O 3.972 76
3.3005 5
2.1708 5
3.4954 5
1.8673 7
3.6331 7
3.5718 7
1.4187 8
3.7604 8
3.617 9
1.5942 9
1.0271 10
1.1394 11
3.9572 11
0.9806 12
1.0902 13
0.8654 5
2.807 5
2.9906 5
3.0337 5
2.4573 6
3.8559 6
2.761 6
2.4573 6
2.761 6
3.8559 6
0.8969 7
1.6401 7
3.4584 7
3.4738 10
3.5404 10
2.0042 10
3.2135 10
1.8839 10
3.0168 11
2.1468 11
1.9017 11
3.276 11
2.5632 12
2.5985 12
1.6211 12
3.4758 12
3.3302 13
1.7658 13
3.8874 13
2.438 13
2.7673 13
3.5182 3
3.8 3
3.8762 3
1.9418 6
3.5497 6
3.5497 6
2.873 9
2.2262 9
2.5269 10
2.6178 10
1.6732 13
3.4291 13
0.8208 6
2.7627 6
3.0359 6
3.0359 6
3.4398 10
1.6562 10
3.7842 10
2.7463 10
2.504 10
3.5804 13
1.9109 13
3.5622 13
3.4309 13
3.6723 13
1.9492 13
3.5182 3
3.8 3
3.8762 3
7 Cl ,Cl 4.344 93
1.5594 5
3.5366 5
3.5718 6
3.6331 6
1.8673 6
0.5606 8
2.9953 9
2.4724 9
3.4392 9
3.0407 10
2.9009 10
2.8874 10
2.9047 11
2.1913 11
3.3634 12
1.7326 12
3.9984 13
2.5966 13
2.5665 13
2.7391 5
3.9305 5
2.4489 5
3.9306 5
2.4489 5
2.7391 5
1.6401 6
3.4584 6
0.8969 6
4.318 6
4.2827 7
4.2827 7
0.971 7
4.2827 7
0.971 7
4.2827 7
2.518 10
2.6924 10
3.8715 10
3.5105 10
1.917 10
3.6269 10
1.435 11
4.1063 11
3.7769 11
4.1063 11
3.7769 11
1.435 11
1.0154 12
4.2627 12
4.2322 12
4.2627 12
4.2322 12
1.0153 12
1.9165 13
3.6157 13
3.5212 13
3.4049 13
1.6933 13
4.2309 3
4.0765 3
3.6725 3
3.6725 3
3.6331 6
1.8673 6
3.5718 6
2.4724 9
3.4392 9
2.9953 9
2.9009 10
2.8874 10
3.0407 10
2.5966 13
2.5665 13
3.9984 13
3.4584 6
1.6401 6
0.8969 6
4.318 6
2.6924 10
3.8715 10
2.518 10
1.917 10
3.6269 10
3.5105 10
3.6157 13
3.5212 13
1.9165 13
1.6933 13
3.4049 13
4.2309 3
4.0765 3
3.6725 3
3.6725 3
8 Cl ,Cl 4.344 87
2.1199 5
2.9761 5
3.7604 6
4.176 6
1.4187 6
0.5606 7
2.9423 9
2.9419 9
2.9423 9
3.0934 10
3.4051 10
2.409 10
3.4653 11
1.6307 11
3.9239 12
1.1721 12
4.0397 13
3.1513 13
2.0153 13
2.976 5
2.12 5
2.12 5
2.976 5
1.4188 6
3.7604 6
4.176 6
4.176 6
1.4187 6
3.7604 6
0.5606 7
0.5606 7
2.409 10
3.0933 10
3.4051 10
3.4051 10
2.409 10
3.0934 10
1.6307 11
3.4653 11
3.4653 11
1.6307 11
1.1721 12
3.9239 12
3.924 12
1.172 12
2.0153 13
4.0396 13
3.1513 13
3.1513 13
2.0153 13
4.0397 13
3.7705 3
3.7705 3
3.7705 3
4.176 6
1.4187 6
3.7604 6
2.9419 9
2.9423 9
2.9423 9
3.4051 10
2.409 10
3.0934 10
3.1513 13
2.0153 13
4.0397 13
3.7604 6
4.176 6
1.4188 6
1.4187 6
3.7604 6
4.176 6
3.0933 10
3.4051 10
2.409 10
2.409 10
3.0934 10
3.4051 10
4.0396 13
3.1513 13
2.0153 13
2.0153 13
4.0397 13
3.1513 13
3.7705 3
3.7705 3
3.7705 3
9 Cl ,Cl 4.344 90
1.5319 5
3.6266 5
4.1848 5
1.5942 6
3.617 6
4.0476 6
3.4392 7
2.4724 7
2.9953 7
2.9423 8
2.9419 8
2.9423 8
0.5769 10
1.7336 11
3.3639 11
2.0143 12
4.0001 12
3.1671 12
1.203 13
3.8935 13
4.1847 5
1.5323 5
3.6262 5
3.6264 5
4.1851 5
1.532 5
3.6172 6
4.0473 6
1.5941 6
4.0477 6
1.5938 6
3.6174 6
2.4728 7
2.9949 7
3.4392 7
2.9952 7
3.4388 7
2.4727 7
0.5768 10
0.5765 10
3.3636 11
1.7339 11
3.3641 11
1.7334 11
4.0005 12
3.1668 12
2.0145 12
3.1673 12
2.014 12
4.0005 12
3.8932 13
1.2032 13
3.8937 13
1.2028 13
3.6587 3
3.6589 3
3.6586 3
2.873 6
4.3353 6
2.2262 6
2.9419 9
2.9423 9
2.9423 9
2.8997 10
3.4895 10
2.5264 10
1.9718 13
4.0185 13
3.2057 13
2.2264 6
2.8728 6
4.3358 6
4.3357 6
2.2259 6
2.8733 6
3.489 10
2.5268 10
2.8997 10
2.5263 10
2.9001 10
3.4891 10
4.0181 13
3.206 13
1.9717 13
3.2055 13
1.9722 13
4.018 13
3.6587 3
3.6589 3
3.6586 3
10 Cl ,Cl 4.344 92
4.3234 5
1.696 5
3.4138 5
1.0271 6
4.1701 6
4.32 6
2.8874 7
2.9009 7
3.0407 7
2.409 8
3.4051 8
3.0934 8
0.5769 9
1.4162 11
4.1999 11
3.7525 11
1.5926 12
3.5035 12
0.9577 13
4.298 13
4.2889 13
4.2723 5
1.0299 5
4.2019 5
3.3377 5
3.6711 5
2.0255 5
3.2135 6
1.8839 6
3.4738 6
2.0042 6
3.5404 6
1.917 7
3.5105 7
3.6269 7
2.518 7
3.8715 7
2.6924 7
4.1725 10
0.9989 10
4.1725 10
0.9989 10
3.9456 11
3.6123 11
1.6471 11
2.7954 11
2.3012 11
3.5048 12
3.4789 12
2.0258 12
2.5906 12
2.5553 12
4.0558 12
4.1957 13
4.124 13
1.1269 13
3.3276 13
1.7755 13
3.5565 3
3.5949 3
3.9477 3
2.5269 6
4.0605 6
2.6178 6
2.8997 9
2.5264 9
3.4895 9
2.7451 10
3.0455 10
3.0455 10
1.7874 13
3.6642 13
3.6536 13
1.6562 6
3.4399 6
3.7842 6
2.504 6
2.7464 6
3.4708 10
2.0565 10
3.4708 10
2.5774 10
2.5774 10
4.0249 10
3.8709 13
2.6625 13
2.5479 13
3.3749 13
1.7252 13
3.5565 3
3.5949 3
3.9477 3
11 Cl ,Cl 4.344 87
3.7507 5
1.3453 5
3.9572 6
1.1394 6
2.1913 7
2.9047 7
1.6307 8
3.4653 8
3.3639 9
1.7336 9
3.7525 10
4.1999 10
1.4162 10
0.4586 12
0.5373 13
4.0459 5
3.2485 5
1.9226 5
1.9226 5
4.0459 5
3.2484 5
1.9017 6
4.0329 6
3.276 6
4.0271 6
3.0168 6
2.1468 6
4.1063 7
1.435 7
3.7769 7
1.435 7
3.7769 7
4.1063 7
2.7954 10
2.3012 10
3.6123 10
3.9456 10
1.6471 10
2.8244 11
3.0028 11
3.0028 11
3.0028 11
2.8244 11
3.0028 11
2.4381 12
3.053 12
3.4143 12
3.4144 12
2.4381 12
3.0529 12
2.9605 13
3.4243 13
2.5147 13
2.9441 13
3.3329 13
2.5972 13
3.287 3
4.3125 3
4.3124 3
1.1394 6
3.9572 6
1.7336 9
3.3639 9
1.4162 10
3.7525 10
4.1999 10
0.5373 13
3.276 6
1.9017 6
4.0329 6
3.0168 6
2.1468 6
4.0271 6
2.3012 10
2.7954 10
3.9456 10
1.6471 10
3.6123 10
2.5147 13
2.9605 13
3.4243 13
3.3329 13
2.5972 13
2.9441 13
3.287 3
4.3125 3
4.3124 3
12 Cl ,Cl 4.344 93
3.292 5
1.804 5
4.2024 6
0.9806 6
1.7326 7
3.3634 7
1.1721 8
3.9239 8
3.1671 9
4.0001 9
2.0143 9
3.5035 10
1.5926 10
0.4586 11
4.3159 13
0.9012 13
3.7039 5
3.5463 5
1.8393 5
1.8394 5
3.7039 5
3.5463 5
1.6211 6
3.4758 6
4.0029 6
2.5632 6
2.5985 6
4.2627 7
1.0153 7
4.2322 7
1.0154 7
4.2322 7
4.2627 7
2.5906 10
4.0558 10
2.5553 10
3.4789 10
3.5048 10
2.0258 10
2.4381 11
3.4144 11
3.0529 11
3.053 11
2.4381 11
3.4143 11
2.0301 12
3.4889 12
3.4888 12
3.4889 12
2.0301 12
3.4888 12
2.6276 13
3.8131 13
2.6078 13
2.913 13
2.9306 13
2.9834 13
3.3506 3
4.2157 3
4.3354 3
4.3353 3
4.2157 3
0.9806 6
4.2024 6
4.0001 9
2.0143 9
3.1671 9
1.5926 10
3.5035 10
4.3159 13
0.9012 13
3.4758 6
1.6211 6
2.5632 6
2.5985 6
4.0029 6
4.0558 10
2.5553 10
2.5906 10
3.5048 10
2.0258 10
3.4789 10
2.6078 13
2.6276 13
3.8131 13
2.9306 13
2.9834 13
2.913 13
3.3506 3
4.2157 3
4.3354 3
4.3353 3
4.2157 3
13 Cl ,Cl 4.344 90
4.1131 5
1.0862 5
4.2862 5
4.1798 6
1.0902 6
4.1954 6
2.5665 7
2.5966 7
3.9984 7
2.0153 8
3.1513 8
4.0397 8
3.8935 9
1.203 9
4.2889 10
4.298 10
0.9577 10
0.5373 11
0.9012 12
4.3159 12
3.4102 5
1.6886 5
2.4286 5
4.0803 5
2.7115 5
2.438 6
3.8874 6
2.7673 6
3.3302 6
1.7658 6
1.6933 7
3.4049 7
1.9165 7
3.5212 7
3.6157 7
3.3276 10
1.7755 10
4.124 10
4.1957 10
1.1269 10
3.3329 11
2.9441 11
2.5972 11
3.4243 11
2.9605 11
2.5147 11
2.9306 12
2.913 12
2.9834 12
3.8131 12
2.6276 12
2.6078 12
3.4906 13
3.4155 13
2.0837 13
3.4155 13
3.4906 13
2.0837 13
3.3069 3
4.0708 3
4.1224 3
1.6732 6
3.4291 6
1.9718 9
3.2057 9
4.0185 9
1.7874 10
3.6536 10
3.6642 10
0.8297 13
3.5622 6
1.9109 6
3.5804 6
3.4309 6
1.9491 6
3.6723 6
2.5479 10
2.6625 10
3.8709 10
1.7252 10
3.375 10
2.9132 13
3.001 13
2.9132 13
3.8307 13
2.6137 13
2.6138 13
3.3069 3
4.0708 3
4.1224 3
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 0 2 5.757 11.514 0.065 195.79 2 84.7 2354.9
2 1 0 0 10.052 20.103 0.113 62.74 6 26.2 215.8
3 0 0 4 11.573 23.147 0.13 46.8 2 134.1 1411.3
4 1 0 2 11.614 23.227 0.131 46.46 12 27.5 353.6
5 1 0 4 15.422 30.843 0.173 25.48 12 18.0 83.4
6 0 0 6 17.514 35.027 0.195 19.34 2 15.1 7.4
7 1 1 0 17.596 35.193 0.196 19.15 6 3.7 1.3
8 1 1 1 17.845 35.69 0.199 18.57 12 7.3 9.9
9 1 1 2 18.573 37.146 0.207 17.01 12 12.7 27.4
10 1 1 3 19.736 39.472 0.219 14.87 12 31.7 150.0
11 1 0 6 20.358 40.716 0.226 13.88 12 17.6 43.4
12 2 0 0 20.431 40.861 0.227 13.77 6 0.8 0.0
13 1 1 4 21.274 42.547 0.236 12.58 12 22.9 66.2
14 2 0 2 21.297 42.594 0.236 12.55 12 1.3 0.2
15 1 1 5 23.128 46.256 0.255 10.42 12 45.3 215.0
16 0 0 8 23.656 47.312 0.26 9.9 2 61.1 62.0
17 2 0 4 23.742 47.484 0.261 9.82 12 8.5 7.1
18 1 1 6 25.249 50.499 0.277 8.54 12 32.1 88.4
19 1 0 8 25.948 51.897 0.284 8.02 12 11.1 9.9
20 2 0 6 27.444 54.888 0.299 7.06 12 9.1 5.9
21 2 1 0 27.502 55.004 0.3 7.03 12 13.0 12.0
22 1 1 7 27.601 55.201 0.301 6.97 12 44.1 136.3
23 2 1 1 27.678 55.356 0.302 6.93 24 2.7 1.0
24 2 1 2 28.2 56.4 0.307 6.64 24 11.9 18.8
25 2 1 3 29.057 58.114 0.315 6.2 24 7.0 6.0
26 0 0 10 30.103 60.206 0.326 5.73 2 24.9 5.9
27 1 1 8 30.158 60.315 0.326 5.71 12 38.0 82.9
28 2 1 4 30.231 60.461 0.327 5.68 24 12.9 18.9
29 3 0 0 31.575 63.15 0.34 5.15 6 79.6 164.2
30 2 1 5 31.701 63.402 0.341 5.11 24 11.8 14.2
31 1 0 10 32.077 64.154 0.345 4.98 12 10.4 5.5
32 2 0 8 32.13 64.259 0.345 4.96 12 15.8 12.4
33 3 0 2 32.217 64.435 0.346 4.93 12 62.4 193.2
34 1 1 9 32.907 65.814 0.353 4.71 12 28.9 39.5
35 2 1 6 33.448 66.897 0.358 4.55 24 11.5 12.2
36 3 0 4 34.106 68.213 0.364 4.37 12 56.3 139.2
37 2 1 7 35.457 70.914 0.377 4.04 24 10.8 9.5
38 1 1 10 35.847 71.693 0.38 3.95 12 43.7 76.0
39 0 0 12 37.004 74.008 0.391 3.72 2 18.9 2.2
40 3 0 6 37.152 74.304 0.392 3.69 12 32.9 40.3
41 2 2 0 37.201 74.402 0.392 3.68 6 15.1 4.2
42 2 2 1 37.351 74.701 0.394 3.66 12 5.6 1.1
43 2 0 10 37.667 75.334 0.397 3.6 12 16.4 9.8
44 2 1 8 37.716 75.433 0.397 3.59 24 12.0 10.4
45 2 2 2 37.798 75.596 0.398 3.58 12 16.9 10.3
46 2 2 3 38.54 77.079 0.404 3.46 12 15.5 8.4
47 1 0 12 38.804 77.609 0.407 3.42 12 6.4 1.4
48 1 1 11 38.984 77.969 0.408 3.39 12 15.9 8.6
49 3 1 0 38.999 77.998 0.408 3.39 12 21.4 15.6
50 3 1 1 39.146 78.292 0.41 3.37 24 3.0 0.6
51 2 2 4 39.571 79.142 0.414 3.31 12 22.1 16.3
52 3 1 2 39.587 79.174 0.414 3.31 24 19.9 26.4
53 2 1 9 40.223 80.445 0.419 3.23 24 8.1 4.3
54 3 1 3 40.319 80.638 0.42 3.22 24 6.7 2.9
55 2 2 5 40.886 81.773 0.425 3.15 12 24.7 19.3
56 3 0 8 41.275 82.55 0.428 3.11 12 27.0 22.8
57 3 1 4 41.339 82.677 0.429 3.1 24 15.8 15.7
58 1 1 12 42.34 84.679 0.437 3.01 12 44.7 60.5
59 2 2 6 42.483 84.965 0.438 3.0 12 26.0 20.3
60 3 1 5 42.643 85.286 0.44 2.98 24 11.9 8.5
61 2 1 10 42.982 85.963 0.443 2.96 24 10.6 6.7
62 2 0 12 44.089 88.177 0.452 2.88 12 19.6 11.1
63 3 1 6 44.231 88.462 0.453 2.87 24 12.3 8.8
64 4 0 0 44.279 88.557 0.453 2.87 6 18.7 5.0
65 2 2 7 44.36 88.719 0.454 2.86 12 23.9 16.5
66 0 0 14 44.602 89.204 0.456 2.85 2 26.5 3.4
67 4 0 2 44.855 89.711 0.458 2.84 12 21.7 13.4
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 0 2 5.757 11.514 7.6789 2354.9 100.0 100.0 5.6
2 1 0 0 10.052 20.103 4.41327 215.8 9.2 9.1 5.6
3 0 0 4 11.573 23.147 3.83945 1411.3 59.9 59.5 5.6
4 1 0 2 11.614 23.227 3.82634 353.6 15.0 14.9 5.6
5 1 0 4 15.422 30.843 2.89668 83.4 3.5 3.5 5.6
6 1 1 2 18.573 37.146 2.41834 27.4 1.2 1.1 5.7
7 1 1 3 19.736 39.472 2.28107 150.0 6.4 6.2 5.7
8 1 0 6 20.358 40.716 2.21418 43.4 1.8 1.8 5.7
9 1 1 4 21.274 42.547 2.12303 66.4 2.8 2.8 5.7
10 1 1 5 23.128 46.256 1.96108 215.0 9.1 8.9 5.7
11 0 0 8 23.656 47.312 1.91972 62.0 2.6 2.6 5.7
12 1 1 6 25.249 50.499 1.80581 88.4 3.8 3.6 5.8
13 1 1 7 27.601 55.201 1.66257 136.3 5.8 5.6 5.8
14 1 1 8 30.158 60.315 1.53326 82.9 3.5 3.4 5.8
15 3 0 0 31.575 63.15 1.47109 164.2 7.0 6.6 5.9
16 3 0 2 32.217 64.435 1.44481 193.2 8.2 7.8 5.9
17 1 1 9 32.907 65.814 1.41783 39.5 1.7 1.6 5.9
18 3 0 4 34.106 68.213 1.37371 139.2 5.9 5.6 5.9
19 1 1 10 35.847 71.693 1.31533 76.0 3.2 3.0 5.9
20 3 0 6 37.152 74.304 1.27545 40.3 1.7 1.6 6.0
21 3 1 0 38.999 77.998 1.22402 24.2 1.0 1.0 6.0
22 3 1 2 39.587 79.174 1.20876 42.7 1.8 1.7 6.0
23 1 1 12 42.34 84.679 1.14366 60.5 2.6 2.3 6.1
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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