Giacovazzo C, Menchetti S, Scordari F
American Mineralogist 58 (1973) 523-530
The crystal structure of tincalconite
11.09 11.09 21.07 90 90 120 R32
atom x y z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1 0 .6695 .5 .0038 .0040 .0007 .0019 .0001 .0001
Na2 0 0 .5 .0029 .0029 .0012 .0014 0 0
Na3 0 0 .0928 .0075 .0075 .0021 .0038 0 0
B1 .0926 .2676 .3825 .0022 .0043 .0004 .0022 .0002 .0001
B2 .2385 .0585 .2882 .0036 .0024 .0012 .0019 .0004 .0004
O1 0 .5334 0 .0004 .0013 .0007 .0002 -.0005 -.0003
O2 .0325 .2911 .2526 .0031 .0014 .0010 .0000 -.0007 .0007
O3 .2129 .0421 .3503 .0043 .0019 .0006 .0015 .0003 .0002
OH4 .1281 .1942 .4290 .0039 .0017 .0006 .0021 .0004 .0002
OH5 .2630 .1794 .2577 .0170 .0054 .0017 .0086 .0030 .0021
Wat6 .0885 .2223 .1339 .0075 .0066 .0005 .0044 -.0009 -.0004
Wat7 0 .8620 0
Luck R L, Wang G
American Mineralogist 87 (2002) 350-354
On the nature of tincalconite
11.1402 11.1402 21.207 90 90 120 R32
atom x y z occ Uiso
Na1 0 0 0 .019
Na2 -.3305 0 0 .026
Na3 -2/3 -1/3 .0740 .044
B1 .2666 .0925 .1184 .016
B2 -.5143 .0919 .1207 .025
O1 -2/3 .2002 1/6 .013
O2 -.5029 .1222 .1836 .022
O3 -.6249 .0749 .0855 .023
Oh4 .1952 .1294 .0721 .017
Oh5 -.4168 .0718 .0915 .048
O11 -.1991 .2443 -.0322 .035
O12 -.6279 -.4492 .1705 1/3 .066
H121 -.6174 -.4433 .2089 1/6 .099
H122 -.6403 -.4940 .1375 1/6 .099
H4 .1490 .1480 .0938 .031
H5 -.3540 .0880 .1111 .059
H111 -.1540 .2770 .0071 .069
H112 -.1370 .2550 -.0472 .067
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Total number of retrieved datasets: 2 View in amc, download in amc
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